RMG Output

Species (999)

Index

Thermo
H298 (kcal/mol), S298 (cal/mol*K), Cp (cal/mol*K)

Structure

Label

SMILES

MW
(g/mol)

24.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.24	61.24	31.19	45.95	67.25	77.16
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cycloheptadiene) + radical(RCCJCC)

C7H9(24)

[CH]1CC=CC=CC1

93.15

25.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
52.10	27.42	4.97	4.97	4.97	4.97
Thermo library: primaryThermoLibrary

H(25)

[H]

1.01

26.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
79.79	59.53	32.62	47.89	68.09	77.37
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cycloheptadiene) + radical(Cds_S)

C7H9(26)

[C]1=CC=CCCC1

93.15

27.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.59	58.43	33.10	48.39	68.87	78.97
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cycloheptadiene) + radical(C=CJC=C)

C7H9(27)

[C]1=CCCCC=C1

93.15

28.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
78.11	80.49	24.36	46.78	68.85	82.47
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(RCCJCC) + radical(Allyl_S)

C7H10(28)

[CH]1C=CCC[CH]C1

94.15

29.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.51	86.11	25.52	46.97	68.19	81.54
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(Cds_S) + radical(RCCJCC)

C7H10(29)

[C]1=CCCC[CH]C1

94.15

30.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.51	86.11	25.52	46.97	68.19	81.54
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(RCCJCC) + radical(Cds_S)

C7H10(30)

[C]1=CC[CH]CCC1

94.15

31.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.96	87.82	24.08	45.04	67.30	81.34
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(RCCJCC) + radical(RCCJCC)

C7H10(31)

[CH]1C[CH]CC=CC1

94.15

32.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
88.66	77.40	25.80	48.72	69.73	82.67
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(Allyl_S) + radical(Cds_S)

C7H10(32)

[C]1=C[CH]CCCC1

94.15

33.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
65.26	70.40	24.64	48.53	70.39	83.61
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(Allyl_S) + radical(Allyl_S)

C7H10(33)

[CH]1C=C[CH]CCC1

94.15

34.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
88.66	76.02	25.80	48.72	69.73	82.67
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(Allyl_S) + radical(Cds_S)

C7H10(34)

[C]1[CH]CCCCC=1

94.15

35.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.96	89.20	24.08	45.04	67.30	81.34
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(RCCJCC) + radical(RCCJCC)

C7H10(35)

[CH]1[CH]CCC=CC1

94.15

36.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
133.44	101.58	33.85	48.65	69.86	79.42
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_P) + radical(Cds_P)

C7H10(36)

[CH]=CCCCC=[CH]

94.15

37.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.61	100.59	33.99	49.36	69.91	79.73
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(RCCJ) + radical(Cds_P)

C7H10(37)

[CH]=CC=CCC[CH2]

94.15

39.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.70	99.58	27.96	50.47	71.96	85.04
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cycloheptane)

C7H10(39)

[C]1C=CCCCC1

94.15

41.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
39.66	89.37	35.22	60.46	82.32	95.11
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(ROOJ) + radical(C=CCJCO)

S(41)

[O]OC1[CH]C=CCCC1

126.15

42.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.30	99.88	33.49	57.98	79.61	92.37
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(ROOJ) + radical(CCJCOOH)

S(42)

[O]OC1[CH]CCCC=C1

126.15

43.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
0.43	54.74	8.37	9.35	11.56	12.95
Thermo group additivity estimation: group(O2s-OsH) + group(O2s-OsH) + radical(HOOJ)

HO2(43)

[O]O

33.01

44.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.25	70.31	23.96	40.89	66.17	78.01
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(s2_4_5_ane) - ring(Cyclopentane) - ring(Cyclobutane) + ring(Cyclopentane) + ring(Cyclobutene) + radical(Allyl_T)

C7H9(44)

C1=CC2CCC[C]12

93.15

45.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.30	78.44	24.25	40.64	65.45	76.30
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(s2_4_5_ane) - ring(Cyclopentane) - ring(Cyclobutane) + ring(Cyclopentane) + ring(Cyclobutene) + radical(Cs_S)

C7H9(45)

[CH]1CCC2C=CC12

93.15

46.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
85.25	77.52	23.98	39.75	65.00	76.57
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(s2_4_5_ane) - ring(Cyclopentane) - ring(Cyclobutane) + ring(Cyclopentane) + ring(Cyclobutene) + radical(cyclopentane)

C7H9(46)

[CH]1CC2C=CC2C1

93.15

47.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.35	75.81	25.42	41.69	65.87	76.77
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(s2_4_5_ane) - ring(Cyclopentane) - ring(Cyclobutane) + ring(Cyclopentane) + ring(Cyclobutene) + radical(cyclobutene-vinyl)

C7H9(47)

[C]1=CC2CCCC12

93.15

48.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.83	85.82	25.46	41.04	68.69	80.61
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane- tertiary) + radical(bicyclo[3.2.0]heptane-C5-6)

C7H10(48)

[CH]1C[C]2CCCC12

94.15

49.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.83	85.82	25.46	41.04	68.69	80.61
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane- tertiary) + radical(bicyclo[3.2.0]heptane-C5-6)

C7H10(49)

[CH]1CC2CCC[C]12

94.15

50.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.13	85.09	24.96	41.52	69.14	81.07
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane-C5-2) + radical(bicyclo[3.2.0]heptane-C5-6)

C7H10(50)

[CH]1CCC2[CH]CC12

94.15

51.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.13	85.09	24.96	41.52	69.14	81.07
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane-C5-6) + radical(bicyclo[3.2.0]heptane-C5-2)

C7H10(51)

[CH]1CCC2C[CH]C12

94.15

52.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.73	85.09	24.96	41.52	69.14	81.07
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane-C5-3) + radical(bicyclo[3.2.0]heptane-C5-6)

C7H10(52)

[CH]1CC2[CH]CC2C1

94.15

53.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.39	94.70	27.21	44.48	69.10	80.98
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(Cds_P) + radical(Cs_S)

C7H10(53)

[CH]=CC1[CH]CCC1

94.15

54.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.72	95.43	30.06	46.84	69.58	81.48
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Isobutyl) + radical(RCCJ)

C7H10(54)

[CH2]CC1C=CC1[CH2]

94.15

55.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.81	90.59	29.39	46.49	70.14	81.18
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJ) + radical (cyclobutene-allyl)

C7H10(55)

[CH2]CCC1[CH]C=C1

94.15

56.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
112.03	96.34	27.58	45.28	72.87	85.02
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(CsJ2_singlet-CsH) + polycyclic(s2_4_5_ane)

C7H10(56)

[C]1CC2CCCC12

94.15

57.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.58	88.56	29.78	47.38	70.78	81.76
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_S) + radical(Allyl_P)

C7H10(57)

[CH2]C=C[CH]C1CC1

94.15

58.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.06	98.84	29.38	45.62	69.08	79.76
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJ) + radical(Cs_S)

C7H10(58)

[CH2]C[CH]C1C=CC1

94.15

59.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
92.19	94.80	27.95	44.72	69.07	80.14
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(RCCJ) + radical(Cs_S)

C7H10(59)

[CH2][CH]C1C=CCC1

94.15

60.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.67	88.58	31.47	47.59	67.53	77.87
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CC=CCJ)

C7H9(60)

[CH2]C=CC=CC=C

93.15

61.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
96.65	95.78	32.58	47.21	66.56	75.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + group(Cdd-CdsCds) + radical(RCCJ)

C7H9(61)

[CH2]CC=CC=C=C

93.15

62.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.20	78.59	22.36	32.81	46.20	53.36
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CC=CCJ) + radical(Cds_P)

C5H6(62)

[CH]=CC=C[CH2]

66.10

63.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
66.97	91.78	31.33	48.05	70.96	82.37
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(Allyl_S) + radical(C=CC=CCJ)

C7H10(63)

[CH2]C=CC=C[CH]C

94.15

64.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.47	100.18	33.60	48.23	69.34	79.19
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(RCCJ) + radical(Cds_S)

C7H10(64)

[CH2]CC=CC=[C]C

94.15

65.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.37	97.40	32.50	48.23	70.32	81.42
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(Cds_S) + radical(C=CC=CCJ)

C7H10(65)

[CH2]C=CC=[C]CC

94.15

66.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.27	99.08	34.05	48.74	70.09	80.78
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CJC=C) + radical(RCCJ)

C7H10(66)

[CH2]CC=C[C]=CC

94.15

67.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.17	96.30	32.98	48.73	71.11	83.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CJC=C) + radical(C=CC=CCJ)

C7H10(67)

[CH2]C=C[C]=CCC

94.15

68.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.27	99.08	34.05	48.74	70.09	80.78
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CJC=C) + radical(RCCJ)

C7H10(68)

[CH2]CC=[C]C=CC

94.15

69.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.17	96.30	32.98	48.73	71.11	83.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ) + radical(C=CJC=C)

C7H10(69)

[CH2]C=[C]C=CCC

94.15

70.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.47	100.18	33.60	48.23	69.34	79.19
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(RCCJ) + radical(Cds_S)

C7H10(70)

[CH2]C[C]=CC=CC

94.15

71.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
89.71	92.69	33.53	49.11	70.89	81.89
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Allyl_S) + radical(C=CJC=C)

C7H10(71)

C=[C]C=C[CH]CC

94.15

72.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
77.59	61.91	11.02	15.33	22.22	27.95
Thermo group additivity estimation: group(Cs-CsHHH) + group(Cs-CsHHH) + radical(CCJ) + radical(CCJ)

C2H4(72)

[CH2][CH2]

28.05

74.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.98	78.41	19.60	27.68	39.66	45.53
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P) + radical(RCCJ)

C4H6(74)

[CH]=CC[CH2]

54.09

73.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.24	65.99	15.44	22.64	34.38	40.37
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(AllylJ2_triplet)

C3H4(73)

[CH]C=C

40.06

75.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.30	101.05	29.41	45.48	68.64	79.50
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(cyclopropane) + radical(RCCJ)

C7H10(75)

[CH2]CC=CC1[CH]C1

94.15

76.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
97.80	94.67	28.60	45.85	70.38	81.67
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(cyclobutane) + radical(Allyl_P)

C7H10(76)

[CH2]C=CC1[CH]CC1

94.15

77.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
75.79	86.55	27.96	45.55	70.16	81.54
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-allyl) + radical(RCCJ)

C7H10(77)

[CH2]CC1[CH]C=CC1

94.15

78.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.69	82.23	27.54	45.56	70.98	83.68
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Isobutyl) + radical (cyclohexene-allyl)

C7H10(78)

[CH2]C1[CH]C=CCC1

94.15

79.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
31.77	89.33	33.29	49.53	70.10	80.34
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH)

C7H10(79)

C=CC=CC=CC

94.15

80.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
47.65	92.37	33.35	49.10	70.26	80.38
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + group(Cdd-CdsCds)

C7H10(80)

C=C=CC=CCC

94.15

82.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.56	46.64	8.34	8.91	10.50	11.68
Thermo library: primaryThermoLibrary

CH2(T)(82)

[CH2]

14.03

81.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
66.13	85.04	25.93	39.91	59.11	69.39
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ) + radical(C=CC=CCJ)

C6H8(81)

[CH2]C=CC=C[CH2]

80.13

83.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.54	91.17	28.52	41.13	57.51	65.52
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(Cds_P) + radical(RCCJ)

C6H8(83)

[CH]=CC=CC[CH2]

80.13

84.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
96.65	95.78	32.58	47.21	66.56	75.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + group(Cdd-CdsCds) + radical(RCCJ)

C7H9(84)

[CH2]CC=C=CC=C

93.15

85.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.67	104.97	32.49	47.05	68.92	78.89
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(RCCJ)

C7H10(85)

[CH2]CC=[C]CC=C

94.15

86.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.67	104.97	32.49	47.05	68.92	78.89
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJ) + radical(Cds_S)

C7H10(86)

[CH2]CC=CC[C]=C

94.15

87.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.67	104.97	32.49	47.05	68.92	78.89
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJ) + radical(Cds_S)

C7H10(87)

[CH2]C[C]=CCC=C

94.15

88.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.87	104.55	32.61	47.62	69.23	79.10
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P) + radical(RCCJ)

C7H10(88)

[CH]=CCC=CC[CH2]

94.15

89.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.90	95.16	31.82	47.95	70.60	80.95
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_S) + radical(Allyl_P)

C7H10(89)

[CH2]C=C[CH]CC=C

94.15

90.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
94.17	97.14	34.69	52.07	76.73	88.67
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(AllylJ2_triplet)

C7H10(90)

[CH]C=CC=CCC

94.15

91.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.83	98.82	29.75	46.03	69.01	79.89
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane) + radical(RCCJ)

C7H10(91)

[CH2]CC1[CH]C1C=C

94.15

92.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
47.65	92.37	33.35	49.10	70.26	80.38
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + group(Cdd-CdsCds)

C7H10(92)

C=CC=C=CCC

94.15

93.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
27.21	83.54	28.90	45.67	69.74	80.96
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene)

C7H10(93)

C=CC1C=CCC1

94.15

94.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
39.64	79.36	28.08	41.82	58.08	66.37
Thermo group additivity estimation: group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- CdsHH) + group(Cds-CdsHH)

C6H8(94)

C=CC=CC=C

80.13

95.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.41	101.01	33.82	48.78	69.62	79.46
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_S) + radical(RCCJ)

C7H10(95)

[CH2]CC[C]=CC=C

94.15

96.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.21	99.91	34.30	49.28	70.40	81.05
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(RCCJ) + radical(C=CJC=C)

C7H10(96)

[CH2]CCC=[C]C=C

94.15

97.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.21	99.91	34.30	49.28	70.40	81.05
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C) + radical(RCCJ)

C7H10(97)

[CH2]CCC=C[C]=C

94.15

99.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
85.18	69.37	18.97	27.04	36.76	41.86
Thermo group additivity estimation: group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cds_P)

C4H5(99)

[CH]=CC=C

53.08

98.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
40.75	62.05	14.87	21.84	31.82	36.92
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P)

C3H5(98)

[CH2]C=C

41.07

100.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.62	56.61	10.05	13.59	18.90	21.88
Thermo group additivity estimation: group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cds_P)

C2H3(100)

[CH]=C

27.05

101.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.87	95.93	31.80	46.43	65.90	75.20
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cds_S)

C7H9(101)

C=CC=[C]CC=C

93.15

102.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.87	95.93	31.80	46.43	65.90	75.20
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cds_S)

C7H9(102)

C=[C]CC=CC=C

93.15

103.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
84.51	82.75	23.05	33.55	48.38	55.47
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cds_P)

C5H7(103)

[CH]=CCC=C

67.11

104.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
86.67	94.83	32.28	46.93	66.68	76.79
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(C=CJC=C)

C7H9(104)

C=C[C]=CCC=C

93.15

105.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
86.67	94.83	32.28	46.93	66.68	76.79
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(C=CJC=C)

C7H9(105)

C=[C]C=CCC=C

93.15

106.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
98.07	95.51	31.97	46.99	66.23	75.45
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cds_P)

C7H9(106)

[CH]=CCC=CC=C

93.15

107.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
98.07	95.51	31.97	46.99	66.23	75.45
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cds_P)

C7H9(107)

[CH]=CC=CCC=C

93.15

108.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.86	96.40	32.50	48.70	70.79	81.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Allyl_P) + radical(Allyl_P)

C7H10(108)

[CH2]C=CCC=C[CH2]

94.15

109.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.49	106.89	31.86	45.79	68.02	78.74
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(RCCJCC) + radical(Cds_S)

C7H10(109)

C=[C]C[CH]CC=C

94.15

110.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.30	100.78	33.00	48.11	70.05	79.98
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) + radical(Cds_S)

C7H10(110)

[CH2]C=CCC[C]=C

94.15

111.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.69	106.47	32.10	46.27	68.48	78.99
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(RCCJCC) + radical(Cds_P)

C7H10(111)

[CH]=CC[CH]CC=C

94.15

112.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.76	102.73	32.95	47.30	68.85	79.44
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_S) + radical(RCCJC)

C7H10(112)

C=CC=[C]C[CH]C

94.15

113.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.17	97.75	31.68	46.88	69.43	79.67
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Allyl_S)

C7H10(113)

C=CC[C]=C[CH]C

94.15

114.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
100.90	101.53	33.93	50.83	76.39	88.22
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(AllylJ2_triplet)

C7H10(114)

[CH]C=CCCC=C

94.15

115.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.50	100.36	33.16	48.69	70.33	80.25
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) + radical(Cds_P)

C7H10(115)

[CH]=CCCC=C[CH2]

94.15

116.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.56	101.63	33.42	47.81	69.60	81.04
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C) + radical(RCCJC)

C7H10(116)

C=C[C]=CC[CH]C

94.15

117.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.70	97.35	32.09	46.82	69.47	79.61
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Allyl_S)

C7H10(117)

C=[C]C[CH]C=CC

94.15

118.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.56	101.63	33.42	47.81	69.60	81.04
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C) + radical(RCCJC)

C7H10(118)

C=[C]C=CC[CH]C

94.15

119.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.90	96.93	32.23	47.39	69.79	79.84
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P) + radical(Allyl_S)

C7H10(119)

[CH]=CC[CH]C=CC

94.15

120.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.96	102.31	33.19	47.80	69.29	79.68
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(RCCJC) + radical(Cds_P)

C7H10(120)

[CH]=CC=CC[CH]C

94.15

121.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
29.65	75.58	26.42	44.21	69.97	81.74
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_3_6_ene_1)

C7H10(121)

C1=CC2CC2CC1

94.15

122.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
117.51	118.31	34.72	49.30	71.58	82.24
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group (CsJ2_singlet-CsH)

C7H10(122)

C=CC[C]CC=C

94.15

123.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.95	115.67	35.19	50.40	72.37	82.65
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsHHH) + group (Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- CdsHH) + group(CsJ2_singlet-CsH)

C7H10(123)

C=CC=CC[C]C

94.15

124.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
117.68	120.06	34.34	49.27	71.82	82.25
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH)

C7H10(124)

C=C[C]CCC=C

94.15

125.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
115.21	119.63	33.75	48.72	71.59	82.05
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs- CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(CsJ2_singlet-CsH)

C7H10(125)

C=CCC=C[C]C

94.15

126.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.39	97.24	34.26	49.18	70.13	79.44
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + group(CsJ2_singlet-CsH)

C7H10(126)

[CH]CCC=CC=C

94.15

127.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.48	100.82	33.09	47.55	69.16	78.73
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs- CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(CsJ2_singlet-CsH)

C7H10(127)

[CH]CC=CCC=C

94.15

128.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.59	98.21	25.59	41.98	67.89	80.52
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(Cs_S) + radical(cyclopentane)

C7H10(128)

C=CC1[CH]C[CH]C1

94.15

129.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
66.64	63.40	11.98	19.06	30.35	36.01
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + ring(Cyclopropane) + radical(cyclopropane)

C3H5(129)

[CH]1CC1

41.07

130.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
75.90	82.43	28.31	45.10	66.45	77.31
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Allyl_T)

C7H9(130)

C=CC=C[C]1CC1

93.15

131.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
98.50	92.01	28.79	44.83	65.73	75.83
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane)

C7H9(131)

C=CC=CC1[CH]C1

93.15

132.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.50	89.31	29.77	45.90	66.13	76.08
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_S)

C7H9(132)

C=CC=[C]C1CC1

93.15

133.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.14	76.13	21.03	33.02	48.62	56.35
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_P)

C5H7(133)

[CH]=CC1CC1

67.11

134.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
92.30	88.21	30.25	46.40	66.93	77.67
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(C=CJC=C)

C7H9(134)

C=C[C]=CC1CC1

93.15

135.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
92.30	88.21	30.25	46.40	66.93	77.67
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(C=CJC=C)

C7H9(135)

C=[C]C=CC1CC1

93.15

136.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.70	88.89	29.95	46.46	66.48	76.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_P)

C7H9(136)

[CH]=CC=CC1CC1

93.15

137.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.54	45.20	8.09	8.63	10.51	11.83
Thermo library: primaryThermoLibrary

CH2(137)

[CH2]

14.03

138.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
98.48	96.23	30.45	46.00	69.27	80.11
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Tertalkyl) + radical(Allyl_P)

C7H10(138)

[CH2]C=CC[C]1CC1

94.15

139.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
124.30	98.35	30.40	46.55	69.03	79.75
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Cds_S) + radical(RCCJ)

C7H10(139)

[CH2]C[C]=CC1CC1

94.15

140.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
124.17	99.83	30.25	45.94	68.85	79.27
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cs_S) + radical(Cds_S)

C7H10(140)

C=[C]C[CH]C1CC1

94.15

141.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.98	96.88	29.96	46.49	69.74	80.57
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_P) + radical(cyclopropane)

C7H10(141)

[CH2]C=CCC1[CH]C1

94.15

142.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
124.30	98.35	30.40	46.55	69.03	79.75
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Cds_S) + radical(RCCJ)

C7H10(142)

[CH2]CC=[C]C1CC1

94.15

143.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.37	99.41	30.42	46.50	69.17	79.53
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cs_S) + radical(Cds_P)

C7H10(143)

[CH]=CC[CH]C1CC1

94.15

144.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.17	102.53	29.27	44.86	68.46	79.01
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane) + radical(Cs_S)

C7H10(144)

C=CC[CH]C1[CH]C1

94.15

145.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.80	91.13	29.64	46.36	69.57	80.57
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_S) + radical(Cds_S)

C7H10(145)

C[CH]C=[C]C1CC1

94.15

146.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.58	94.93	31.88	50.27	76.51	89.06
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(AllylJ2_triplet)

C7H10(146)

[CH]C=CCC1CC1

94.15

147.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
98.70	91.47	28.93	45.75	69.34	80.98
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(RCCJ) + radical(Allyl_T)

C7H10(147)

[CH2]CC=C[C]1CC1

94.15

148.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.20	84.25	28.18	45.56	69.88	81.80
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_T) + radical(Allyl_S)

C7H10(148)

C[CH]C=C[C]1CC1

94.15

149.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.38	93.45	29.01	45.20	69.16	80.17
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(cyclopropane) + radical(Allyl_S)

C7H10(149)

CC=C[CH]C1[CH]C1

94.15

150.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
53.69	85.93	31.51	48.06	70.00	80.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(Methylene_cyclopropane)

C7H10(150)

CC=CC=C1CC1

94.15

151.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.52	100.54	33.50	49.03	69.55	81.57
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Isobutyl) + radical(Isobutyl)

C7H10(151)

[CH2]C([CH2])C=CC=C

94.15

152.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
123.36	113.46	32.43	48.55	72.20	83.03
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group (CsJ2_singlet-CsH) + ring(Cyclopropane)

C7H10(152)

C=CC[C]C1CC1

94.15

153.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
123.36	113.46	32.43	48.55	72.20	83.03
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group (CsJ2_singlet-CsH) + ring(Cyclopropane)

C7H10(153)

C=C[C]CC1CC1

94.15

154.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.84	113.01	31.81	48.11	71.87	82.93
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclopropane)

C7H10(154)

C[C]C=CC1CC1

94.15

155.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.11	94.20	31.13	46.94	69.42	79.60
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclopropane)

C7H10(155)

[CH]CC=CC1CC1

94.15

156.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
76.60	60.22	14.04	23.56	36.66	42.90
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical (cyclobutene-allyl)

C4H5(156)

[CH]1C=CC1

53.08

157.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
82.17	85.61	27.09	43.50	66.21	77.25
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(Allyl_T)

C7H9(157)

C=CC[C]1C=CC1

93.15

158.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
79.58	75.86	20.18	32.15	48.49	57.42
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Isobutyl)

C5H7(158)

[CH2]C1C=CC1

67.11

159.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
84.24	86.37	29.50	45.24	66.84	76.88
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Allyl_P)

C7H9(159)

[CH2]C=CC1C=CC1

93.15

160.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
89.97	85.49	27.39	44.12	66.54	76.96
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(cyclobutene- allyl)

C7H9(160)

C=CCC1[CH]C=C1

93.15

161.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.27	91.11	28.56	44.30	65.90	76.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(cyclobutene- vinyl)

C7H9(161)

C=CCC1[C]=CC1

93.15

162.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.27	91.11	28.56	44.30	65.90	76.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(cyclobutene- vinyl)

C7H9(162)

C=CCC1C=[C]C1

93.15

163.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.77	91.11	28.56	44.30	65.90	76.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(Cds_S)

C7H9(163)

C=[C]CC1C=CC1

93.15

164.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
109.97	90.69	28.73	44.87	66.24	76.27
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(Cds_P)

C7H9(164)

[CH]=CCC1C=CC1

93.15

165.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.79	99.74	28.60	43.68	68.70	79.86
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Tertalkyl) + radical(cyclobutane)

C7H10(165)

C=CC[C]1C[CH]C1

94.15

166.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
109.19	100.39	28.10	44.17	69.14	80.32
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane) + radical(cyclobutane)

C7H10(166)

C=CCC1[CH]C[CH]1

94.15

167.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
97.80	94.67	28.60	45.85	70.38	81.67
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Allyl_P) + radical(cyclobutane)

C7H10(167)

[CH2]C=CC1C[CH]C1

94.15

168.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
109.19	100.39	28.10	44.17	69.14	80.32
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane) + radical(cyclobutane)

C7H10(168)

C=CCC1[CH][CH]C1

94.15

169.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.01	90.71	29.09	45.87	69.80	81.47
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJ) + radical(Allyl_T)

C7H10(169)

[CH2]CC[C]1C=CC1

94.15

170.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.79	101.12	28.60	43.68	68.70	79.86
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane) + radical(Tertalkyl)

C7H10(170)

C=CC[C]1[CH]CC1

94.15

171.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
98.36	92.42	28.24	44.36	69.06	81.45
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJC) + radical(Allyl_T)

C7H10(171)

C[CH]C[C]1C=CC1

94.15

172.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
130.11	96.21	30.56	46.67	69.50	80.23
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-vinyl) + radical(RCCJ)

C7H10(172)

[CH2]CCC1[C]=CC1

94.15

173.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.29	97.69	29.08	45.24	69.53	80.58
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Cds_S) + radical(cyclobutane)

C7H10(173)

C=[C]CC1C[CH]C1

94.15

174.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.16	92.30	28.54	44.97	69.40	81.15
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-allyl) + radical(RCCJC)

C7H10(174)

C[CH]CC1[CH]C=C1

94.15

175.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.46	97.92	29.71	45.15	68.78	80.21
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJC) + radical (cyclobutene-vinyl)

C7H10(175)

C[CH]CC1[C]=CC1

94.15

176.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.29	97.69	29.08	45.24	69.53	80.58
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane) + radical(Cds_S)

C7H10(176)

C=[C]CC1[CH]CC1

94.15

177.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
130.11	96.21	30.56	46.67	69.50	80.23
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJ) + radical (cyclobutene-vinyl)

C7H10(177)

[CH2]CCC1C=[C]C1

94.15

178.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
123.49	97.27	29.25	45.81	69.86	80.84
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Cds_P) + radical(cyclobutane)

C7H10(178)

[CH]=CCC1C[CH]C1

94.15

179.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.46	97.92	29.71	45.15	68.78	80.21
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJC) + radical (cyclobutene-vinyl)

C7H10(179)

C[CH]CC1C=[C]C1

94.15

180.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
123.49	97.27	29.25	45.81	69.86	80.84
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane) + radical(Cds_P)

C7H10(180)

[CH]=CCC1[CH]CC1

94.15

181.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.35	103.98	33.14	48.29	69.48	80.43
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Isobutyl) + radical(Cds_P)

C7H10(181)

[CH]=CC([CH2])CC=C

94.15

182.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
122.20	111.63	30.71	47.93	72.87	84.27
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(CsJ2_singlet-CsH) + ring(Cyclobutane)

C7H10(182)

C=CCC1[C]CC1

94.15

183.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
122.20	110.26	30.71	47.93	72.87	84.27
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH) + ring(Cyclobutane)

C7H10(183)

C=CCC1C[C]C1

94.15

184.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
123.32	111.25	31.61	48.27	72.37	83.55
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclobutene)

C7H10(184)

C[C]CC1C=CC1

94.15

185.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
128.59	92.44	30.94	47.11	69.93	80.22
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclobutene)

C7H10(185)

[CH]CCC1C=CC1

94.15

186.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.47	83.23	24.33	41.20	68.89	81.03
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_4_6_ane) + radical(bicyclo[3.1.1]heptane-C3) + radical(bicyclo[3.1.1]heptane-C6)

C7H10(186)

[CH]1CC2[CH]C(C1)C2

94.15

187.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
100.95	86.56	26.02	42.18	65.19	76.13
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + ring(Cyclopropane) + radical(Tertalkyl)

C7H9(187)

C1=CC(C1)[C]1CC1

93.15

188.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.85	79.01	25.06	42.92	66.43	78.05
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + ring(Cyclopropane) + radical(Allyl_T)

C7H9(188)

C1=C[C](C1)C1CC1

93.15

189.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.45	87.21	25.54	42.65	65.71	76.57
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + ring(Cyclobutene) + radical(cyclopropane)

C7H9(189)

[CH]1CC1C1C=CC1

93.15

190.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.65	78.89	25.36	43.54	66.77	77.76
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + ring(Cyclobutene) + radical (cyclobutene-allyl)

C7H9(190)

[CH]1C=CC1C1CC1

93.15

191.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.95	84.51	26.53	43.73	66.11	76.82
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + ring(Cyclobutene) + radical (cyclobutene-vinyl)

C7H9(191)

[C]1=CCC1C1CC1

93.15

192.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.95	84.51	26.53	43.73	66.11	76.82
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + ring(Cyclopropane) + radical (cyclobutene-vinyl)

C7H9(192)

[C]1=CC(C1)C1CC1

93.15

193.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.01	78.16	24.87	38.33	57.36	66.37
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene)

C6H8(193)

C=CC1C=CC1

80.13

194.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.47	93.14	26.55	43.12	68.80	80.69
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclopropane) + ring(Cyclobutane) + radical(Tertalkyl) + radical(cyclobutane)

C7H10(194)

[CH]1C[C](C1)C1CC1

94.15

195.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.87	93.79	26.06	43.60	69.31	81.14
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclopropane) + ring(Cyclobutane) + radical(cyclobutane) + radical(cyclobutane)

C7H10(195)

[CH]1C[CH]C1C1CC1

94.15

196.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.47	93.14	26.55	43.12	68.80	80.69
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclopropane) + ring(Cyclobutane) + radical(Tertalkyl) + radical(cyclobutane)

C7H10(196)

[CH]1CC(C1)[C]1CC1

94.15

197.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.87	93.79	26.06	43.60	69.31	81.14
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclopropane) + ring(Cyclobutane) + radical(cyclobutane) + radical(cyclobutane)

C7H10(197)

[CH]1[CH]C(C1)C1CC1

94.15

198.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.47	94.52	26.55	43.12	68.80	80.69
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclobutane) + ring(Cyclopropane) + radical(Tertalkyl) + radical(cyclobutane)

C7H10(198)

[CH]1CC[C]1C1CC1

94.15

199.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.47	93.14	26.55	43.12	68.80	80.69
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclopropane) + ring(Cyclobutane) + radical(Tertalkyl) + radical(cyclobutane)

C7H10(199)

[CH]1CCC1[C]1CC1

94.15

200.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
123.97	93.79	26.06	43.60	69.31	81.14
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclopropane) + ring(Cyclobutane) + radical(cyclopropane) + radical(cyclobutane)

C7H10(200)

[CH]1CC(C1)C1[CH]C1

94.15

201.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
123.97	93.79	26.06	43.60	69.31	81.14
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclopropane) + ring(Cyclobutane) + radical(cyclopropane) + radical(cyclobutane)

C7H10(201)

[CH]1CC1C1[CH]CC1

94.15

202.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.47	95.73	30.25	46.85	69.54	82.31
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Isobutyl) + radical(Isobutyl)

C7H10(202)

[CH2]C([CH2])C1C=CC1

94.15

203.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.03	97.38	31.10	47.72	69.68	81.24
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Isobutyl) + radical(Cds_P)

C7H10(203)

[CH]=CC([CH2])C1CC1

94.15

204.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.88	105.03	28.68	47.36	73.07	85.09
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(CsJ2_singlet-CsH) + ring(Cyclobutane) + ring(Cyclopropane)

C7H10(204)

[C]1CCC1C1CC1

94.15

205.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.88	103.66	28.68	47.36	73.07	85.09
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(CsJ2_singlet-CsH) + ring(Cyclobutane) + ring(Cyclopropane)

C7H10(205)

[C]1CC(C1)C1CC1

94.15

206.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
75.15	72.28	26.47	42.09	63.65	73.63
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cdd-CdsCds) + ring(1_2_cycloheptadiene)

C7H8(206)

C1=CC=CCCC=1

92.14

207.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.75	79.39	23.94	46.04	65.28	77.44
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(1,4-Cycloheptadiene) + radical(Cds_S)

C7H9(207)

[C]1=CCCC=CC1

93.15

208.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.75	79.39	23.94	46.04	65.28	77.44
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(1,4-Cycloheptadiene) + radical(Cds_S)

C7H9(208)

[C]1=CCC=CCC1

93.15

209.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
58.35	72.39	22.77	45.85	65.94	78.38
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(1,4-Cycloheptadiene) + radical(Allyl_S)

C7H9(209)

[CH]1C=CCC=CC1

93.15

210.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
82.24	68.34	20.64	43.97	63.26	75.83
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(1,4-Cycloheptadiene) + radical(Allyl_S) + radical(C=CCJC=C)

C7H8(210)

[CH]1C=C[CH]CC=C1

92.14

211.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.64	75.34	21.80	44.16	62.60	74.89
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(1,4-Cycloheptadiene) + radical(Cds_S) + radical(C=CCJC=C)

C7H8(211)

[C]1=C[CH]C=CCC1

92.14

212.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.08	54.62	31.57	46.31	65.70	75.13
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cycloheptadiene) + radical(Allyl_S) + radical(C=CJC=C)

C7H8(212)

[C]1=CCC[CH]C=C1

92.14

213.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.54	80.09	25.07	41.23	65.77	76.71
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_3_6_ene_1) + radical(cyclopropane)

C7H9(213)

[CH]1C2C=CCCC12

93.15

214.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.24	92.34	27.75	43.70	65.39	75.68
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane)

C7H9(214)

C=CC1[CH]C1C=C

93.15

215.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.08	53.24	31.57	46.31	65.70	75.13
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cycloheptadiene) + radical(Allyl_S) + radical(C=CJC=C)

C7H8(215)

[C]1=C[CH]CCC=C1

92.14

216.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.25	70.47	24.39	41.82	66.93	78.03
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_4_5_ene_1) + radical(cyclopentene- allyl)

C7H9(216)

[CH]1C=CC2CCC12

93.15

217.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.08	82.73	27.32	43.86	66.32	77.92
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(Isobutyl)

C7H9(217)

[CH2]C1C=CC=CC1

93.15

218.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
51.73	76.98	28.48	45.12	70.57	82.08
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cdd-CdsCds) + ring(1_2_cycloheptadiene)

C7H10(218)

C1=CCCCCC=1

94.15

219.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
55.17	81.21	27.33	50.80	72.89	86.51
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(Cds_S)

C7H11(219)

[C]1=CCCCCC1

95.16

220.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
44.62	82.92	25.88	48.87	72.00	86.32
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(RCCJCC)

C7H11(220)

[CH]1CCC=CCC1

95.16

221.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.52	82.60	27.11	44.86	73.35	86.01
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C3-7)

C7H11(221)

[CH]1C2CCCCC12

95.16

222.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
41.05	86.04	29.07	47.69	74.12	87.53
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Isobutyl)

C7H11(222)

[CH2]C1C=CCCC1

95.16

223.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
36.87	93.55	30.89	54.96	75.81	87.98
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)(Cds-Cds)OsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(1,4-Cycloheptadiene) + radical(ROOJ)

S(223)

[O]OC1C=CCCC=C1

125.15

224.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
53.01	90.16	29.95	48.83	74.59	86.70
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Allyl_P)

C7H11(224)

[CH2]C=CC1CCC1

95.16

225.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.87	100.92	33.33	49.17	72.67	84.22
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(RCCJC)

C7H11(225)

C=CC=CC[CH]C

95.16

226.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
33.48	95.59	32.86	50.14	74.12	86.21
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ)

C7H11(226)

[CH2]C=CC=CCC

95.16

227.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
65.42	97.60	34.59	50.69	73.30	84.13
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(227)

C=CC=[C]CCC

95.16

228.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.22	96.50	35.07	51.19	74.07	85.73
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C)

C7H11(228)

C=C[C]=CCCC

95.16

229.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.22	96.50	35.07	51.19	74.07	85.73
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C)

C7H11(229)

C=[C]C=CCCC

95.16

230.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.62	97.18	34.76	51.26	73.61	84.39
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_P)

C7H11(230)

[CH]=CC=CCCC

95.16

231.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.66	71.33	16.32	23.16	34.33	40.06
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsHHH) + group (Cs-CsHHH) + radical(RCCJ) + radical(RCCJ)

C3H6(231)

[CH2]C[CH2]

42.08

232.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.05	87.83	25.07	35.91	52.08	59.74
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJ) + radical(Cds_P)

C5H8(232)

[CH]=CCC[CH2]

68.12

233.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
46.30	93.31	27.40	45.82	72.57	85.51
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(Cs_S)

C7H11(233)

C=CC1[CH]CCC1

95.16

234.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.58	98.37	33.92	50.17	73.04	84.00
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(RCCJ)

C7H11(234)

[CH2]CC=CC=CC

95.16

235.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.72	94.40	30.92	48.57	73.30	85.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJ)

C7H11(235)

[CH2]CCC1C=CC1

95.16

236.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.45	89.78	28.70	42.47	60.97	70.04
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(RCCJ)

C6H9(236)

[CH2]CC=CC=C

81.14

237.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
115.61	97.97	34.12	49.93	70.67	80.57
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(CCJ2_triplet)

C7H10(237)

[CH]CCC=CC=C

94.15

238.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
28.53	91.19	30.31	55.51	76.66	89.49
Thermo group additivity estimation: group(O2s-O2s(Cds-Cd)) + group(O2s-OsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds- Cds)HH) + group(Cds-CdsCsOs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + ring(1,4-Cycloheptadiene) + radical(C=CCJC=C)

S(238)

OOC1=C[CH]C=CCC1

125.15

239.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
47.83	77.98	40.82	58.57	79.88	88.26
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(1,3-Cycloheptadiene) + radical(CCJCOOH)

S(239)

OOC1[CH]CC=CC=C1

125.15

240.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.85	75.00	41.19	58.59	79.95	88.19
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(1,3-Cycloheptadiene) + radical(Cds_S)

S(240)

OOC1[C]=CC=CCC1

125.15

241.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
25.81	89.00	30.66	56.84	78.04	90.56
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(1,4-Cycloheptadiene) + radical(C=CCJC=C)

S(241)

OOC1C=C[CH]C=CC1

125.15

242.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
47.65	73.90	41.65	59.10	80.71	89.79
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(1,3-Cycloheptadiene) + radical(C=CJC=C)

S(242)

OOC1C=[C]C=CCC1

125.15

243.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.85	75.00	41.19	58.59	79.95	88.19
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(1,3-Cycloheptadiene) + radical(Cds_S)

S(243)

OOC1C=CC=[C]CC1

125.15

244.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
47.65	73.90	41.65	59.10	80.71	89.79
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(1,3-Cycloheptadiene) + radical(C=CJC=C)

S(244)

OOC1C=C[C]=CCC1

125.15

245.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.62	91.41	28.29	51.98	71.72	84.41
Thermo group additivity estimation: group(O2s-O2s(Cds-Cd)) + group(O2s-OsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds- Cds)HH) + group(Cds-CdsCsOs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + ring(1,4-Cycloheptadiene) + radical(C=CCJC=C) + radical(ROOJ)

S(245)

[O]OC1=C[CH]C=CCC1

124.14

246.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.92	78.20	38.84	54.99	75.01	83.16
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(1,3-Cycloheptadiene) + radical(CCJCOOH) + radical(ROOJ)

S(246)

[O]OC1[CH]CC=CC=C1

124.14

247.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.90	89.22	28.64	53.31	73.09	85.49
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(1,4-Cycloheptadiene) + radical(C=CCJC=C) + radical(ROOJ)

S(247)

[O]OC1C=C[CH]C=CC1

124.14

248.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
92.94	75.22	39.11	55.11	74.89	83.14
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(1,3-Cycloheptadiene) + radical(ROOJ) + radical(Cds_S)

S(248)

[O]OC1[C]=CC=CCC1

124.14

249.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
92.94	75.22	39.11	55.11	74.89	83.14
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(1,3-Cycloheptadiene) + radical(Cds_S) + radical(ROOJ)

S(249)

[O]OC1C=CC=[C]CC1

124.14

250.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.74	74.12	39.58	55.62	75.65	84.75
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(1,3-Cycloheptadiene) + radical(C=CJC=C) + radical(ROOJ)

S(250)

[O]OC1C=[C]C=CCC1

124.14

251.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.74	74.12	39.58	55.62	75.65	84.75
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(1,3-Cycloheptadiene) + radical(C=CJC=C) + radical(ROOJ)

S(251)

[O]OC1C=C[C]=CCC1

124.14

252.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
26.64	42.61	41.47	59.80	83.17	91.13
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsCs) + group (Cs-CsCsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(PolycyclicRing) - ring(Cycloheptane) - ring(12dioxolane) + ring(Cycloheptene) + ring(12dioxolane) + radical(CCJCOOH)

S(252)

[CH]1C2C=CCCC1OO2

125.15

253.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
26.89	42.95	41.59	60.11	82.65	86.62
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsCs) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- Cds)CsOsH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(PolycyclicRing) - ring(Cycloheptane) - ring(12dioxane) + ring(Cycloheptane) + ring(36dihydro12dioxin) + radical(CCJCOOH)

S(253)

[CH]1CCC2C=CC1OO2

125.15

254.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
7.82	31.99	42.81	62.36	85.73	93.54
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsCs) + group (Cs-CsCsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(PolycyclicRing) - ring(Cycloheptane) - ring(12dioxane) + ring(Cycloheptane) + ring(12dioxane) + radical(C=CCJCO)

S(254)

[CH]1C=CC2CCC1OO2

125.15

255.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
6.99	32.10	43.16	62.30	85.85	93.84
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsCs) + group (Cs-CsCsOsH) + group(Cs-CsCsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(PolycyclicRing) - ring(Cycloheptane) - ring(12dioxetane) + ring(Cycloheptene) + ring(12dioxetane) + radical(C=CCJCO)

S(255)

[CH]1C=CCCC2OOC12

125.15

256.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
38.77	75.60	39.13	55.68	77.34	86.84
Thermo group additivity estimation: group(O2s-O2s(Cds-Cd)) + group(O2s-OsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group (Cds-CdsCsOs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + ring(1,3-Cycloheptadiene) + radical(ROOJ)

S(256)

[O]OC1=CC=CCCC1

125.15

257.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
36.22	72.45	39.80	56.96	78.75	88.25
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsOsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cycloheptadiene) + radical(ROOJ)

S(257)

[O]OC1CC=CC=CC1

125.15

258.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.28	88.73	32.58	50.79	76.45	87.68
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsOsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(s2_4_5_ane) - ring(Cyclopentane) - ring(Cyclobutane) + ring(Cyclopentane) + ring(Cyclobutene) + radical(ROOJ)

S(258)

[O]OC1CCC2C=CC21

125.15

259.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
37.04	65.15	35.68	53.02	73.86	83.02
Thermo group additivity estimation: group(O2s-CsH) + group(Cs-CsCsHH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cycloheptadiene) + radical(CC(C)OJ)

C7H9O(259)

[O]C1C=CC=CCC1

109.15

260.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.57	38.49	4.97	4.97	4.97	4.97
Thermo library: primaryThermoLibrary

O(T)(260)

[O]

16.00

261.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
11.55	93.25	34.31	60.07	83.80	97.26
Thermo group additivity estimation: group(O2s-O2s(Cds-Cd)) + group(O2s-OsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsOs) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(Allyl_S)

S(261)

OOC1=C[CH]CCCC1

127.16

262.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
23.21	99.66	35.51	61.51	84.56	97.44
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(CCJCOOH)

S(262)

OOC1[CH]CCCC=C1

127.16

263.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
32.23	96.68	35.82	61.58	84.51	97.40
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(Cds_S)

S(263)

OOC1[C]=CCCCC1

127.16

264.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
21.68	99.77	34.38	59.65	83.63	97.21
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(RCCJCC)

S(264)

OOC1C=CCC[CH]C1

127.16

265.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
32.23	96.68	35.82	61.58	84.51	97.40
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(Cds_S)

S(265)

OOC1C=[C]CCCC1

127.16

266.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
21.68	99.77	34.38	59.65	83.63	97.21
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(RCCJCC)

S(266)

OOC1C=CC[CH]CC1

127.16

267.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
3.56	89.15	37.24	63.99	87.26	100.18
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(C=CCJCO)

S(267)

OOC1[CH]C=CCCC1

127.16

268.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
57.77	99.99	32.36	56.12	78.68	92.13
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(RCCJCC) + radical(ROOJ)

S(268)

[O]OC1C=CCC[CH]C1

126.15

269.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
47.64	93.47	32.29	56.54	78.85	92.19
Thermo group additivity estimation: group(O2s-O2s(Cds-Cd)) + group(O2s-OsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsOs) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(ROOJ) + radical(Allyl_S)

S(269)

[O]OC1=C[CH]CCCC1

126.15

270.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
57.77	99.99	32.36	56.12	78.68	92.13
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs -(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(ROOJ) + radical(RCCJCC)

S(270)

[O]OC1C=CC[CH]CC1

126.15

271.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
68.32	96.90	33.80	58.05	79.57	92.33
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(ROOJ) + radical(Cds_S)

S(271)

[O]OC1[C]=CCCCC1

126.15

272.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
68.32	96.90	33.80	58.05	79.57	92.33
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(ROOJ) + radical(Cds_S)

S(272)

[O]OC1C=[C]CCCC1

126.15

273.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
0.43	42.71	45.00	64.68	90.56	100.47
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsCs) + group (Cs-CsCsOsH) + group(Cs-CsCsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(PolycyclicRing) + radical(CCJCOOH)

S(273)

[CH]1C2CCCCC1OO2

127.16

274.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
0.43	44.09	45.00	64.68	90.56	100.47
Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsCs) + group (Cs-CsCsOsH) + group(Cs-CsCsOsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(PolycyclicRing) + radical(CCJCOOH)

S(274)

[CH]1CCCCC2OOC12

127.16

275.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
12.42	86.83	30.39	55.92	78.69	92.15
Thermo group additivity estimation: group(O2s-CsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsOsH) + group(Cs-(Cds- Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(CC(C)OJ)

S(275)

[O]C1C=CCCCC1

111.16

276.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
58.98	87.95	29.19	46.67	70.68	81.87
Thermo group additivity estimation: group(Cs-(Cds-Cdd-Cd)CsCsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cdd-CdsCds) + ring(Cyclobutane)

C7H10(276)

C=C=CC1CCC1

94.15

277.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.81	92.35	30.17	47.73	73.35	85.37
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Cds_S)

C7H11(277)

C[C]=CC1CCC1

95.16

278.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.81	92.35	30.17	47.73	73.35	85.37
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Cds_S)

C7H11(278)

CC=[C]C1CCC1

95.16

279.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.21	85.47	28.71	46.93	73.65	86.60
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Allyl_T)

C7H11(279)

CC=C[C]1CCC1

95.16

280.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.71	95.05	29.19	46.65	72.96	85.11
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(cyclobutane)

C7H11(280)

CC=CC1[CH]CC1

95.16

281.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.71	95.05	29.19	46.65	72.96	85.11
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(cyclobutane)

C7H11(281)

CC=CC1C[CH]C1

95.16

282.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
51.28	70.61	16.09	26.63	43.38	51.32
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclobutane) + radical(cyclobutane)

C4H7(282)

[CH]1CCC1

55.10

283.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
84.30	85.09	28.13	46.13	71.09	83.16
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Allyl_P) + radical(Allyl_T)

C7H10(283)

[CH2]C=C[C]1CCC1

94.15

284.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
109.90	91.97	29.59	46.93	70.78	81.92
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Allyl_P) + radical(Cds_S)

C7H10(284)

[CH2]C=[C]C1CCC1

94.15

285.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
109.90	91.97	29.59	46.93	70.78	81.92
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Allyl_P) + radical(Cds_S)

C7H10(285)

[CH2][C]=CC1CCC1

94.15

286.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
79.18	89.28	27.41	46.57	73.52	86.18
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclobutane) + ring(Cyclopropane) + radical(cyclopropane)

C7H11(286)

[CH]1CC1C1CCC1

95.16

287.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.88	83.34	25.14	40.58	61.66	71.66
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Cds_P)

C6H9(287)

[CH]=CC1CCC1

81.14

288.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.50	92.72	30.53	49.63	77.15	90.16
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(AllylJ2_triplet)

C7H10(288)

[CH]C=CC1CCC1

94.15

289.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
42.61	84.20	31.27	47.94	68.15	20.97
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)H) + group (Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(methylenecyclobutane)

C7H10(289)

C=CC=C1CCC1

94.15

290.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.00	95.23	29.93	46.66	72.84	84.91
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Tertalkyl)

C7H11(290)

C=CC[C]1CCC1

95.16

291.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
76.50	93.18	30.43	48.22	73.71	85.62
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Cds_S)

C7H11(291)

C=[C]CC1CCC1

95.16

292.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.40	95.88	29.44	47.14	73.32	85.37
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane)

C7H11(292)

C=CCC1[CH]CC1

95.16

293.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
78.70	92.76	30.60	48.78	74.05	85.87
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Cds_P)

C7H11(293)

[CH]=CCC1CCC1

95.16

294.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.40	95.88	29.44	47.14	73.32	85.37
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane)

C7H11(294)

C=CCC1C[CH]C1

95.16

295.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.40	76.40	21.81	35.24	53.68	62.49
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclobutane) + radical(CCJ2_triplet)

C5H8(295)

[CH]C1CCC1

68.12

296.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.98	94.18	30.95	47.56	70.13	80.82
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_P) + radical(Cds_S)

C7H10(296)

[CH2]C=[C]CC1CC1

94.15

297.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.38	90.75	30.00	46.28	69.55	80.43
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_S) + radical(Cds_S)

C7H10(297)

C[C]=C[CH]C1CC1

94.15

298.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.98	94.18	30.95	47.56	70.13	80.82
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_P) + radical(Cds_S)

C7H10(298)

[CH2][C]=CCC1CC1

94.15

299.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.38	90.75	30.00	46.28	69.55	80.43
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_S) + radical(Cds_S)

C7H10(299)

CC=[C][CH]C1CC1

94.15

300.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.26	92.52	27.91	45.47	69.17	81.53
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclopropane) + ring(Cyclopropane) + radical(Isobutyl) + radical(cyclopropane)

C7H10(300)

[CH2]C1[CH]C1C1CC1

94.15

301.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.85	95.93	27.23	44.29	68.62	79.83
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclopropane) + ring(Cyclopropane) + radical(Cs_S) + radical(cyclopropane)

C7H10(301)

[CH]1CC1[CH]C1CC1

94.15

302.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
57.37	89.33	30.29	46.81	69.68	80.51
Thermo group additivity estimation: group(Cs-(Cds-Cdd-Cd)CsCsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cdd-CdsCds) + ring(Cyclopropane)

C7H10(302)

CC=C=CC1CC1

94.15

303.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
60.06	90.16	30.55	47.30	70.04	80.76
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + ring(Cyclopropane)

C7H10(303)

C=C=CCC1CC1

94.15

304.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
112.66	69.19	17.70	27.68	40.65	47.18
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclopropane) + radical(CCJ2_triplet)

C4H6(304)

[CH]C1CC1

54.09

305.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.76	85.51	26.42	42.07	64.11	74.85
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + ring(Cyclopropane) + radical(AllylJ2_triplet)

C6H8(305)

[CH]C=CC1CC1

80.13

306.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.67	101.88	29.78	44.38	68.03	78.54
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cs_S) + radical(Tertalkyl)

C7H10(306)

C=CC[CH][C]1CC1

94.15

307.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.35	101.57	34.01	50.01	73.29	83.94
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_P)

C7H11(307)

[CH]=CCCCC=C

95.16

308.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
16.14	73.13	28.22	47.79	74.34	85.47
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group (Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclohexane)

C7H10(308)

C=C1C=CCCC1

94.15

309.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
23.35	78.64	27.82	46.83	74.41	87.80
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Allyl_T)

C7H11(309)

C[C]1C=CCCC1

95.16

310.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
38.40	86.77	28.11	46.58	73.68	86.10
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cs_S)

C7H11(310)

CC1[CH]CCC=C1

95.16

311.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.95	84.14	29.29	47.63	74.10	86.57
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S)

C7H11(311)

CC1[C]=CCCC1

95.16

312.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
38.40	87.23	27.85	45.69	73.23	86.37
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(RCCJCC)

C7H11(312)

CC1C=CC[CH]C1

95.16

313.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.95	84.14	29.29	47.63	74.10	86.57
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S)

C7H11(313)

CC1C=[C]CCC1

95.16

314.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
24.70	78.52	28.12	47.41	74.77	87.50
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl)

C7H11(314)

CC1[CH]C=CCC1

95.16

315.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.51	78.96	28.43	46.88	72.20	83.85
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical (cyclohexene-allyl) + radical(Allyl_P)

C7H10(315)

[CH2]C1=C[CH]CCC1

94.15

316.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.39	90.48	27.53	44.73	69.89	82.28
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Isobutyl) + radical(Cs_S)

C7H10(316)

[CH2]C1[CH]CCC=C1

94.15

317.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.39	90.94	27.26	43.85	69.43	82.55
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Isobutyl) + radical(RCCJCC)

C7H10(317)

[CH2]C1C=CC[CH]C1

94.15

318.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
97.94	87.85	28.70	45.79	70.31	82.75
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical(Isobutyl)

C7H10(318)

[CH2]C1[C]=CCCC1

94.15

319.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
97.94	87.85	28.70	45.79	70.31	82.75
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Isobutyl) + radical(Cds_S)

C7H10(319)

[CH2]C1C=[C]CCC1

94.15

320.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
60.27	78.72	25.68	44.17	73.08	86.07
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_4_6_ane) + radical(bicyclo[3.1.1]heptane-C6)

C7H11(320)

[CH]1C2CCCC1C2

95.16

321.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
51.12	83.98	27.11	44.86	73.35	86.01
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C6-2)

C7H11(321)

[CH]1CCCC2CC12

95.16

322.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
31.87	70.40	22.93	39.10	62.30	73.01
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl)

C6H9(322)

[CH]1C=CCCC1

81.14

323.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.14	84.51	28.83	46.87	71.51	83.00
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(CCJ2_triplet)

C7H10(323)

[CH]C1C=CCCC1

94.15

324.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.51	86.11	25.52	46.97	68.19	81.54
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(Cds_S) + radical(RCCJCC)

C7H10(324)

[C]1=CCC[CH]CC1

94.15

325.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
55.23	80.58	26.31	44.49	73.31	86.11
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane-C5-2)

C7H11(325)

[CH]1CCC2CCC12

95.16

326.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.41	98.97	33.35	50.03	73.77	84.78
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P)

C7H11(326)

[CH2]C=CCCC=C

95.16

327.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
40.80	86.04	29.07	47.65	74.14	87.53
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Isobutyl)

C7H11(327)

[CH2]C1CC=CCC1

95.16

328.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.36	78.02	26.87	50.03	70.32	82.94
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(CCJ2_triplet)

C7H10(328)

[C]1CCC=CCC1

94.15

329.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.33	80.58	26.31	44.49	73.31	86.11
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane-C5-6)

C7H11(329)

[CH]1CC2CCCC12

95.16

330.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.78	103.16	32.79	48.97	72.66	83.64
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJ)

C7H11(330)

[CH2]CC=CCC=C

95.16

331.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.36	79.40	26.87	50.03	70.32	82.94
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cycloheptene) + radical(CCJ2_triplet)

C7H10(331)

[C]1CC=CCCC1

94.15

332.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.87	98.59	27.60	50.52	72.03	85.18
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cycloheptane)

C7H10(332)

[C]1CCC=CCC1

94.15

333.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
49.34	87.83	29.10	46.68	69.61	80.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclopropane)

C7H10(333)

C=CC1CC1C=C

94.15

334.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.03	83.72	24.96	41.52	69.14	81.07
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane-C5-2) + radical(bicyclo[3.2.0]heptane-C5-2)

C7H10(334)

[CH]1C[CH]C2CCC12

94.15

335.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.72	87.11	25.77	41.89	69.19	80.97
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C6-2) + radical(bicyclo[4.1.0]heptane-C6-2)

C7H10(335)

[CH]1CC[CH]C2CC12

94.15

336.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
36.14	81.62	26.17	42.92	67.03	79.45
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(s2_3_6_ane) - ring(Cyclohexane) - ring(Cyclopropane) + ring(Cyclohexene) + ring(Cyclopropane)

C7H10(336)

C1CCCC2CC=12

94.15

337.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.82	84.71	27.61	44.38	72.90	85.56
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane- tertiary)

C7H11(337)

C1CCC2C[C]2C1

95.16

338.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.02	83.98	27.11	44.86	73.35	86.01
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C6-3)

C7H11(338)

[CH]1CCC2CC2C1

95.16

339.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.42	89.22	26.27	41.42	68.73	80.51
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C6-2) + radical(bicyclo[4.1.0]heptane-tertiary)

C7H10(339)

[CH]1CCC[C]2CC12

94.15

340.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.42	89.22	26.27	41.42	68.73	80.51
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane- tertiary) + radical(bicyclo[4.1.0]heptane-C6-2)

C7H10(340)

[CH]1CCCC2C[C]12

94.15

341.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.12	88.49	25.77	41.89	69.19	80.97
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C6-2) + radical(bicyclo[4.1.0]heptane-C3-7)

C7H10(341)

[CH]1CCCC2[CH]C12

94.15

342.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
96.62	88.49	25.77	41.89	69.19	80.97
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C6-3) + radical(bicyclo[4.1.0]heptane-C6-2)

C7H10(342)

[CH]1C[CH]C2CC2C1

94.15

343.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
96.62	88.49	25.77	41.89	69.19	80.97
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C6-3) + radical(bicyclo[4.1.0]heptane-C6-2)

C7H10(343)

[CH]1[CH]C2CC2CC1

94.15

344.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.94	94.31	31.10	49.01	73.22	84.92
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(RCCJ)

C7H11(344)

[CH2]CC1CC1C=C

95.16

345.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
55.56	83.58	28.21	46.64	73.62	86.94
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(Isobutyl)

C7H11(345)

[CH2]C1CCC2CC12

95.16

346.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
115.62	79.47	27.64	45.17	71.14	82.70
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(CCJ2_triplet)

C7H10(346)

[C]1CCCC2CC12

94.15

347.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
39.60	75.20	26.32	43.87	69.76	81.47
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(s2_4_5_ane) - ring(Cyclopentane) - ring(Cyclobutane) + ring(Cyclopentane) + ring(Cyclobutene)

C7H10(347)

C1CC2CCCC=12

94.15

348.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.93	81.31	26.80	44.01	72.84	85.66
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane- tertiary)

C7H11(348)

C1C[C]2CCC2C1

95.16

349.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.83	79.21	26.31	44.49	73.31	86.11
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane-C5-3)

C7H11(349)

[CH]1CC2CCC2C1

95.16

350.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.23	83.72	24.96	41.52	69.14	81.07
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane-C5-6) + radical(bicyclo[3.2.0]heptane-C5-6)

C7H10(350)

[CH]1[CH]C2CCCC12

94.15

351.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
55.56	83.58	28.21	46.64	73.62	86.94
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(Isobutyl)

C7H11(351)

[CH2]C1C2CCCC12

95.16

352.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.53	76.07	26.84	44.80	71.11	82.80
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(CCJ2_triplet)

C7H10(352)

[C]1CC2CCCC12

94.15

353.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.91	96.15	33.12	48.04	69.61	80.75
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CtCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Ct-CtCs) + group (Ct-CtH)

C7H10(353)

C#CCCCC=C

94.15

355.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
43.96	86.44	25.25	37.26	55.52	64.27
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJ)

C5H9(355)

[CH2]CCC=C

69.12

354.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
53.86	48.02	10.59	12.95	15.83	17.73
Thermo group additivity estimation: group(Ct-CtH) + group(Ct-CtH)

C#C(354)

C#C

26.04

356.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.15	101.99	33.90	49.43	72.97	83.75
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(356)

C=[C]CCCC=C

95.16

357.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.60	103.70	32.43	47.56	71.97	83.66
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(RCCJCC)

C7H11(357)

C=CC[CH]CC=C

95.16

358.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.89	77.02	19.78	29.03	43.11	50.06
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJ)

C4H7(358)

[CH2]CC=C

55.10

359.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
130.71	56.62	9.87	12.25	15.43	17.35
Thermo group additivity estimation: group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cds_P) + radical(Cds_P)

C2H2(359)

[CH]=[CH]

26.04

360.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
131.24	103.38	33.60	48.16	69.42	79.17
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Cds_P)

C7H10(360)

[CH]=CCCC[C]=C

94.15

361.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
131.24	103.38	33.60	48.16	69.42	79.17
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Cds_P)

C7H10(361)

[CH]=[C]CCCC=C

94.15

362.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
148.68	101.97	33.31	47.95	69.56	79.20
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(CdCdJ2_triplet)

C7H10(362)

[C]=CCCCC=C

94.15

363.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
38.90	65.60	18.07	30.90	49.03	57.49
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-allyl)

C5H7(363)

[CH]1C=CCC1

67.11

364.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
47.22	85.08	26.89	43.82	67.35	78.86
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + ring(3-Methylenecyclopentene) + radical(C=CC=CCJ)

C7H9(364)

[CH2]C=C1C=CCC1

93.15

365.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.81	88.05	27.55	42.69	65.56	75.92
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical(cyclopentene-4)

C7H9(365)

C=CC1[CH]CC=C1

93.15

366.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
57.20	81.45	25.96	43.22	66.55	77.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical (cyclopentene-allyl)

C7H9(366)

C=CC1[CH]C=CC1

93.15

367.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
88.81	85.35	28.54	43.77	65.95	76.18
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical (cyclopentene-vinyl)

C7H9(367)

C=CC1[C]=CCC1

93.15

368.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
88.81	85.35	28.54	43.77	65.95	76.18
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical (cyclopentene-vinyl)

C7H9(368)

C=CC1C=[C]CC1

93.15

369.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
84.11	85.35	28.54	43.77	65.95	76.18
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical(Cds_S)

C7H9(369)

C=[C]C1C=CCC1

93.15

370.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
86.31	84.93	28.71	44.33	66.28	76.43
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical(Cds_P)

C7H9(370)

[CH]=CC1C=CCC1

93.15

371.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.95	91.09	27.45	44.52	70.39	82.30
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(methylenecyclopentane) + radical(Allyl_P) + radical(cyclopentane)

C7H10(371)

[CH2]C=C1C[CH]CC1

94.15

372.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.68	87.75	28.49	45.87	70.22	81.47
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-allyl) + radical(RCCJ)

C7H10(372)

[CH2]CC1=C[CH]CC1

94.15

373.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.44	94.87	28.14	44.70	69.10	80.35
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-4) + radical(RCCJ)

C7H10(373)

[CH2]CC1[CH]CC=C1

94.15

374.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.44	92.17	29.12	45.77	69.49	80.61
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-vinyl) + radical(RCCJ)

C7H10(374)

[CH2]CC1[C]=CCC1

94.15

375.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.14	95.58	26.77	43.03	68.30	80.99
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(cyclopentane) + radical(Cds_S)

C7H10(375)

C=[C]C1C[CH]CC1

94.15

376.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
92.64	97.75	25.86	42.87	68.34	80.25
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(Cs_S) + radical(Cs_S)

C7H10(376)

C=CC1[CH]CC[CH]1

94.15

377.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.79	95.90	27.38	43.64	68.59	79.76
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-4) + radical(Cs_S)

C7H10(377)

C[CH]C1[CH]CC=C1

94.15

378.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.79	93.20	28.36	44.72	68.98	80.01
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(Cs_S) + radical (cyclopentene-vinyl)

C7H10(378)

C[CH]C1[C]=CCC1

94.15

379.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.19	95.12	27.03	43.92	68.76	80.73
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(Cs_S) + radical(Cds_S)

C7H10(379)

C=[C]C1[CH]CCC1

94.15

380.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
88.54	98.67	25.33	41.09	67.44	80.79
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(cyclopentane) + radical(cyclopentane)

C7H10(380)

C=CC1C[CH][CH]C1

94.15

381.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.15	82.38	27.72	46.27	71.91	83.44
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(methylenecyclopentane) + radical(Allyl_P) + radical(Allyl_S)

C7H10(381)

[CH2]C=C1[CH]CCC1

94.15

382.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.44	92.17	29.12	45.77	69.49	80.61
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(RCCJ) + radical (cyclopentene-vinyl)

C7H10(382)

[CH2]CC1C=[C]CC1

94.15

383.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.34	95.16	26.94	43.60	68.65	81.25
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(Cds_P) + radical(cyclopentane)

C7H10(383)

[CH]=CC1C[CH]CC1

94.15

384.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.14	87.58	27.20	44.49	69.64	80.95
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(Cs_S) + radical (cyclopentene-allyl)

C7H10(384)

C[CH]C1[CH]C=CC1

94.15

385.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.79	93.20	28.36	44.72	68.98	80.01
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-vinyl) + radical(Cs_S)

C7H10(385)

C[CH]C1C=[C]CC1

94.15

386.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.56	101.96	34.29	48.70	69.51	79.39
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(RCCJ) + radical(Cds_P)

C7H10(386)

[CH]=CC(C=C)C[CH2]

94.15

387.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.62	99.66	33.93	48.63	70.17	81.01
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) + radical(Isobutyl)

C7H10(387)

[CH2]C=CC([CH2])C=C

94.15

388.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.13	108.75	29.21	46.49	72.11	84.49
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group (CsJ2_singlet-CsH) + ring(Cyclopentane)

C7H10(388)

C=CC1[C]CCC1

94.15

389.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.55	109.13	28.85	46.58	72.14	84.63
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH) + ring(Cyclopentane)

C7H10(389)

C=CC1C[C]CC1

94.15

390.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.03	106.83	30.54	47.29	72.35	83.78
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclopentene)

C7H10(390)

C[C]C1C=CCC1

94.15

391.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.72	88.40	29.50	46.22	69.91	80.60
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclopentene)

C7H10(391)

[CH]CC1C=CCC1

94.15

392.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.02	82.67	23.73	40.87	68.79	80.98
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_5_5_ane) + radical(2-norbornyl) + radical(7-norbornyl)

C7H10(392)

[CH]1CC2[CH]C1CC2

94.15

393.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.28	98.02	30.61	47.84	72.63	84.05
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cs_S)

C7H11(393)

C=CC[CH]C1CC1

95.16

394.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
45.81	95.54	32.41	48.74	73.22	84.38
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_S)

C7H11(394)

C=CC[CH]C=CC

95.16

395.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.68	101.56	33.22	48.95	72.62	83.50
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(395)

C=CCC=[C]CC

95.16

396.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.68	101.56	33.22	48.95	72.62	83.50
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(396)

C=CC[C]=CCC

95.16

397.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.68	101.56	33.22	48.95	72.62	83.50
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(397)

C=[C]CC=CCC

95.16

398.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.88	101.14	33.38	49.53	72.91	83.77
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P)

C7H11(398)

[CH]=CCC=CCC

95.16

399.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
77.11	85.23	24.41	35.93	52.59	60.57
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Allyl_P) + radical(RCCJ)

C5H8(399)

[CH2]C=CC[CH2]

68.12

400.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
53.64	89.57	27.87	41.79	61.31	70.51
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P)

C6H9(400)

[CH2]C=CCC=C

81.14

401.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.87	101.93	32.74	48.20	69.97	79.95
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(CCJ2_triplet)

C7H10(401)

[CH]CC=CCC=C

94.15

402.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.38	96.76	32.60	47.86	69.92	79.93
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group (Cds-CdsHH) + group(Cdd-CdsCds)

C7H10(402)

C=C=CCCC=C

94.15

403.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.21	101.16	33.59	48.94	72.58	83.50
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(403)

C=CCCC=[C]C

95.16

404.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.21	101.16	33.59	48.94	72.58	83.50
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(404)

C=CCC[C]=CC

95.16

405.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
45.77	98.16	33.08	49.49	73.40	84.46
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Allyl_P)

C7H11(405)

[CH2]C=CCC=CC

95.16

406.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.21	101.16	33.59	48.94	72.58	83.50
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(406)

C=[C]CCC=CC

95.16

407.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.41	100.74	33.77	49.47	72.99	83.67
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P)

C7H11(407)

[CH]=CCCC=CC

95.16

408.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
68.97	70.26	19.50	28.74	41.29	47.44
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Allyl_P) + radical(Allyl_P)

C4H6(408)

[CH2]C=C[CH2]

54.09

409.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.30	100.78	33.00	48.11	70.05	79.98
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Allyl_P)

C7H10(409)

[CH2]C=[C]CCC=C

94.15

410.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.30	100.78	33.00	48.11	70.05	79.98
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Allyl_P)

C7H10(410)

[CH2][C]=CCCC=C

94.15

411.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.83	98.09	30.80	47.82	72.66	84.27
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane)

C7H11(411)

C=CCCC1[CH]C1

95.16

412.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.26	102.59	33.32	49.63	72.93	84.96
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Isobutyl)

C7H11(412)

[CH2]C(C=C)CC=C

95.16

413.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
79.28	92.15	28.53	41.78	60.85	69.74
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group (Cds-CdsHH) + radical(Cds_P)

C6H9(413)

[CH]=CCCC=C

81.14

414.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
66.61	92.40	29.94	48.38	73.80	86.86
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Isobutyl)

C7H11(414)

[CH2]C1CCC1C=C

95.16

415.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
26.08	66.60	19.16	28.37	40.22	46.39
Thermo group additivity estimation: group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH)

C4H6(415)

C=CC=C

54.09

416.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
44.25	93.77	27.13	44.93	72.11	85.78
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(cyclopentane)

C7H11(416)

C=CC1C[CH]CC1

95.16

417.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.05	85.21	25.20	36.49	52.83	60.59
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(CCJ2_triplet)

C5H8(417)

[CH]CCC=C

68.12

418.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
92.21	94.96	35.33	50.87	73.69	85.31
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(Isobutyl)

C7H11(418)

[CH2]C1C=C1CCC

95.16

419.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.93	94.72	31.77	47.57	69.96	81.29
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CsHHH) + group(Cds-CdsCtH) + group(Cds-CdsHH) + group(Ct-CtCs) + group(Ct-Ct (Cds-Cds))

C7H10(419)

C=CC#CCCC

94.15

421.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
28.60	59.87	11.71	17.02	25.78	31.56
Thermo group additivity estimation: group(Cs-CsHHH) + group(Cs-CsHHH) + radical(CCJ)

C2H5(421)

C[CH2]

29.06

420.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
60.28	73.98	23.03	33.12	45.77	52.06
Thermo group additivity estimation: group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cdd-CdsCds)

C5H6(420)

C=C=CC=C

66.10

422.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
34.62	79.00	24.96	35.85	52.12	61.21
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CsHHH) + group(Ct-CtCs) + group(Ct-CtH)

C5H8(422)

C#CCCC

68.12

423.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.80	77.91	22.66	32.74	46.65	54.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C) + radical(C=CC=CCJ)

C5H6(423)

[CH2]C=C[C]=C

66.10

425.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
34.89	46.37	9.34	10.62	13.45	15.09
Thermo library: primaryThermoLibrary + radical(CH3)

CH3(425)

[CH3]

15.03

424.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.34	91.59	28.35	40.56	57.18	65.26
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(RCCJ) + radical(Cds_S)

C6H8(424)

[CH2]C[C]=CC=C

80.13

426.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.95	86.23	25.48	35.91	51.99	59.64
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P) + radical(Cds_S)

C5H8(426)

[CH]=[C]CCC

68.12

427.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.11	98.31	34.69	49.30	70.26	80.94
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C) + radical(Cds_S)

C7H10(427)

C=[C]C=[C]CCC

94.15

428.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.20	103.52	32.42	46.96	68.92	82.34
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(Sec_Propargyl) + radical(RCCJ)

C7H10(428)

[CH2][CH]C#CCCC

94.15

429.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
124.51	98.99	34.41	49.33	69.89	79.58
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_P) + radical(Cds_S)

C7H10(429)

[CH]=CC=[C]CCC

94.15

430.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
52.02	87.29	29.86	47.77	73.50	86.13
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Allyl_T)

C7H11(430)

CCC[C]1C=CC1

95.16

431.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.35	88.18	29.12	42.46	60.88	69.92
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(Cds_S)

C6H9(431)

C=CC=[C]CC

81.14

432.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
32.90	94.56	33.74	51.00	74.56	86.53
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)H) + group (Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CC=CCJ)

C7H11(432)

[CH2]C(=CC=C)CC

95.16

434.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
159.51	69.77	18.31	24.94	33.06	37.10
Thermo group additivity estimation: group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(CdCdJ2_triplet)

C4H4(434)

[C]=CC=C

52.07

433.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
23.67	69.29	17.09	25.05	38.04	44.72
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsHHH) + group (Cs-CsHHH) + radical(RCCJ)

C3H7(433)

[CH2]CC

43.09

435.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.84	95.57	31.74	46.53	66.91	76.18
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(Allyl_P)

C7H9(435)

[CH2]C=CCC=C=C

93.15

436.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.66	99.97	32.79	47.56	69.67	79.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Cds_S) + radical(Allyl_P)

C7H10(436)

[CH2]C=CCC=[C]C

94.15

437.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.66	99.97	32.79	47.56	69.67	79.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Cds_S) + radical(Allyl_P)

C7H10(437)

[CH2]C=CC[C]=CC

94.15

438.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.66	99.97	32.79	47.56	69.67	79.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Cds_S) + radical(Allyl_P)

C7H10(438)

[CH2]C=[C]CC=CC

94.15

439.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.66	99.97	32.79	47.56	69.67	79.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Cds_S) + radical(Allyl_P)

C7H10(439)

[CH2][C]=CCC=CC

94.15

440.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.14	90.48	27.53	44.70	69.91	82.27
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Isobutyl) + radical(Cs_S)

C7H10(440)

[CH2]C1[CH]CC=CC1

94.15

441.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
51.74	95.95	32.35	47.31	69.57	79.60
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds)

C7H10(441)

C=C=CCC=CC

94.15

442.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
112.73	90.96	27.68	40.45	57.85	65.98
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) + radical(Cds_P)

C6H8(442)

[CH]=CCC=C[CH2]

80.13

443.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.28	98.75	29.57	46.05	68.99	79.67
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(RCCJ) + radical(Cs_S)

C7H10(443)

[CH2][CH]C1CC1C=C

94.15

444.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
98.26	100.72	33.68	50.28	76.03	87.89
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(AllylJ2_triplet)

C7H10(444)

[CH]C=CCC=CC

94.15

445.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.40	96.91	28.59	45.41	69.59	81.83
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane) + radical(Isobutyl)

C7H10(445)

[CH2]C1[CH]CC1C=C

94.15

446.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
27.00	85.26	27.49	45.31	69.71	81.17
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene)

C7H10(446)

C=CC1CC=CC1

94.15

447.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.69	94.61	31.29	49.02	73.16	85.76
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Isobutyl)

C7H11(447)

[CH2]C1CC1CC=C

95.16

448.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
25.41	79.98	23.24	34.89	51.84	60.00
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH)

C5H8(448)

C=CCC=C

68.12

449.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.30	91.57	23.66	33.85	51.08	59.62
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJC) + radical(RCCJ)

C5H8(449)

[CH2][CH]CC=C

68.12

450.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.98	75.79	19.73	28.26	40.43	46.37
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(CCJ2_triplet)

C4H6(450)

[CH]CC=C

54.09

451.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
122.34	98.80	33.37	48.68	70.34	80.12
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(CCJ2_triplet)

C7H10(451)

C=CC[C]CC=C

94.15

452.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
53.30	73.92	18.25	30.01	47.97	56.30
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-4)

C5H7(452)

[CH]1CC=CC1

67.11

453.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
58.30	80.19	25.66	42.60	66.21	77.62
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical(Allyl_T)

C7H9(453)

C=C[C]1CC=CC1

93.15

454.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
88.60	87.07	27.12	43.41	65.89	76.39
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical (cyclopentene-vinyl)

C7H9(454)

C=CC1C[C]=CC1

93.15

455.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.90	87.07	27.12	43.41	65.89	76.39
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical(Cds_S)

C7H9(455)

C=[C]C1CC=CC1

93.15

456.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
86.10	86.65	27.30	43.97	66.24	76.64
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical(Cds_P)

C7H9(456)

[CH]=CC1CC=CC1

93.15

457.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
89.99	94.22	28.63	44.18	68.66	79.89
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(RCCJ) + radical(Tertalkyl)

C7H10(457)

[CH2]C[C]1CC=CC1

94.15

458.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.19	92.17	29.13	45.73	69.51	80.60
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(RCCJ) + radical (cyclopentene-vinyl)

C7H10(458)

[CH2]CC1C[C]=CC1

94.15

459.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.54	93.20	28.36	44.68	69.01	80.01
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(Cs_S) + radical (cyclopentene-vinyl)

C7H10(459)

C[CH]C1C[C]=CC1

94.15

460.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.35	103.98	33.14	48.29	69.48	80.43
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_P) + radical(Isobutyl)

C7H10(460)

[CH]=CCC([CH2])C=C

94.15

461.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.20	107.21	30.18	47.34	72.38	83.92
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclopentene)

C7H10(461)

C[C]C1CC=CC1

94.15

462.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.47	88.40	29.50	46.18	69.94	80.59
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclopentene)

C7H10(462)

[CH]CC1CC=CC1

94.15

463.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.24	81.29	23.73	40.87	68.79	80.98
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_5_5_ane) + radical(2-norbornyl) + radical(2-norbornyl)

C7H10(463)

[CH]1CC2[CH]CC1C2

94.15

464.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
55.56	83.58	28.21	46.64	73.62	86.94
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(Isobutyl)

C7H11(464)

[CH2]C1CC2CC2C1

95.16

465.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.37	88.47	30.73	47.46	70.00	80.82
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(Methylene_cyclopropane)

C7H10(465)

C=CCC1CC1=C

94.15

466.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
63.09	96.14	31.02	47.40	72.27	84.09
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Tertalkyl)

C7H11(466)

C=CCC1C[C]1C

95.16

467.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
63.09	96.14	31.02	47.40	72.27	84.09
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Tertalkyl)

C7H11(467)

C=CC[C]1CC1C

95.16

468.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.59	95.41	30.53	47.89	72.74	84.54
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane)

C7H11(468)

C=CCC1[CH]C1C

95.16

469.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
52.10	89.69	31.04	49.57	74.02	85.88
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_P)

C7H11(469)

[CH2]C=CC1CC1C

95.16

470.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
75.59	92.71	31.51	48.96	73.14	84.80
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_S)

C7H11(470)

C=[C]CC1CC1C

95.16

471.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
77.79	92.29	31.69	49.53	73.48	85.05
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_P)

C7H11(471)

[CH]=CCC1CC1C

95.16

472.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.46	75.23	16.59	25.53	39.04	46.68
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclopropane) + radical(cyclopropane) + radical(Isobutyl)

C4H6(472)

[CH2]C1[CH]C1

54.09

473.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
112.08	99.85	30.43	45.56	68.45	80.28
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Isobutyl) + radical(Tertalkyl)

C7H10(473)

[CH2]C1C[C]1CC=C

94.15

474.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
112.08	99.85	30.43	45.56	68.45	80.28
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Tertalkyl) + radical(Isobutyl)

C7H10(474)

[CH2][C]1CC1CC=C

94.15

475.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.58	99.12	29.94	46.05	68.95	80.73
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane) + radical(Isobutyl)

C7H10(475)

[CH2]C1[CH]C1CC=C

94.15

476.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
96.39	79.80	22.56	34.96	51.96	62.38
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + ring(Cyclopropane) + radical(Isobutyl) + radical(Isobutyl)

C5H8(476)

[CH2]C1CC1[CH2]

68.12

477.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.09	93.40	30.46	47.73	70.24	82.06
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_P) + radical(Isobutyl)

C7H10(477)

[CH2]C=CC1CC1[CH2]

94.15

478.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
124.58	96.42	30.93	47.12	69.35	80.98
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Isobutyl) + radical(Cds_S)

C7H10(478)

[CH2]C1CC1C[C]=C

94.15

479.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.78	96.00	31.10	47.68	69.70	81.23
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Isobutyl) + radical(Cds_P)

C7H10(479)

[CH]=CCC1CC1[CH2]

94.15

480.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
79.76	88.67	25.33	39.58	60.27	70.05
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane)

C6H9(480)

C=CCC1[CH]C1

81.14

481.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
125.78	93.08	31.05	48.20	70.55	81.23
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(CCJ2_triplet)

C7H10(481)

[CH]C1CC1CC=C

94.15

482.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
16.55	79.84	28.79	45.93	70.12	81.52
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene)

C7H10(482)

CC1=CC=CCC1

94.15

483.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
40.01	67.70	42.88	59.76	82.11	92.37
Thermo group additivity estimation: group(Cs-(Cds-Cdd-Cd)CsCsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cdd-CdsCds) + ring(six-inringtwodouble-12)

C7H10(483)

CC1C=C=CCC1

94.15

484.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
25.00	70.90	22.71	37.36	57.65	67.24
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene)

C6H8(484)

C1C=CCCC=1

80.13

485.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
36.20	87.57	28.79	46.04	73.24	85.86
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Tertalkyl)

C7H11(485)

C[C]1CC=CCC1

95.16

486.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.70	84.14	29.29	47.59	74.12	86.56
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S)

C7H11(486)

CC1C[C]=CCC1

95.16

487.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
38.15	86.77	28.12	46.54	73.70	86.09
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cs_S)

C7H11(487)

CC1[CH]CC=CC1

95.16

488.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.70	84.14	29.29	47.59	74.12	86.56
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S)

C7H11(488)

CC1CC=[C]CC1

95.16

489.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
24.70	78.52	28.12	47.41	74.77	87.50
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl)

C7H11(489)

CC1C[CH]C=CC1

95.16

490.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.76	66.59	21.40	37.02	59.14	69.17
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl) + radical (cyclohexene-allyl)

C6H8(490)

[CH]1C=C[CH]CC1

80.13

491.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.24	74.83	26.30	44.75	71.25	83.96
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl) + radical(Allyl_T)

C7H10(491)

C[C]1C=C[CH]CC1

94.15

492.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.04	82.96	26.59	44.46	70.54	82.25
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl) + radical(Cs_S)

C7H10(492)

CC1[CH]C=CC[CH]1

94.15

493.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
57.59	74.71	26.59	45.32	71.61	83.66
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl) + radical(cyclohexene-allyl)

C7H10(493)

CC1[CH]C=C[CH]C1

94.15

494.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.59	80.33	27.76	45.51	70.96	82.72
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical (cyclohexene-allyl)

C7H10(494)

CC1[CH]C=[C]CC1

94.15

495.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.59	80.33	27.76	45.51	70.96	82.72
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical (cyclohexene-allyl)

C7H10(495)

CC1[CH][C]=CCC1

94.15

496.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.76	84.37	27.44	45.51	73.22	85.72
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(bicyclo[3.1.0]hexane-C3)

C7H11(496)

CC1CCC2[CH]C12

95.16

497.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
43.20	91.39	28.72	46.62	72.78	84.80
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(Cs_S)

C7H11(497)

C[CH]C1C=CCC1

95.16

498.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.84	80.33	27.76	45.55	70.93	82.73
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl) + radical(Cds_S)

C7H10(498)

CC1[C]=C[CH]CC1

94.15

499.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
18.08	79.02	27.90	45.70	70.10	81.74
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene)

C7H10(499)

CC1C=CC=CC1

94.15

500.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
55.53	98.20	34.09	50.87	73.33	85.39
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Isobutyl)

C7H11(500)

[CH2]C(C)C=CC=C

95.16

501.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
43.86	87.98	29.41	47.83	73.30	86.51
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(Isobutyl)

C7H11(501)

[CH2]C1C=CC(C)C1

95.16

502.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
84.94	79.25	19.86	31.38	47.87	55.84
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane)

C5H7(502)

C=CC1[CH]C1

67.11

503.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
80.64	85.52	27.28	43.98	66.11	77.16
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Allyl_T)

C7H9(503)

C=C[C]1CC1C=C

93.15

504.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.24	91.02	28.74	44.78	65.79	75.93
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_S)

C7H9(504)

C=[C]C1CC1C=C

93.15

505.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.44	90.60	28.91	45.34	66.14	76.18
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_P)

C7H9(505)

[CH]=CC1CC1C=C

93.15

506.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
112.33	99.55	30.25	45.55	68.54	79.43
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Tertalkyl) + radical(RCCJ)

C7H10(506)

[CH2]C[C]1CC1C=C

94.15

507.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.23	90.62	29.27	46.31	69.72	81.38
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(RCCJ) + radical(Allyl_T)

C7H10(507)

[CH2]CC1C[C]1C=C

94.15

508.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
96.58	91.65	28.51	45.25	69.19	80.79
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Allyl_T) + radical(Cs_S)

C7H10(508)

C=C[C]1CC1[CH]C

94.15

509.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.18	99.85	28.99	44.97	68.51	79.29
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cs_S) + radical(cyclopropane)

C7H10(509)

C=CC1[CH]C1[CH]C

94.15

510.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
124.83	96.12	30.74	47.11	69.41	80.14
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(RCCJ) + radical(Cds_S)

C7H10(510)

[CH2]CC1CC1[C]=C

94.15

511.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
122.18	97.15	29.98	46.05	68.90	79.55
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_S) + radical(Cs_S)

C7H10(511)

C=[C]C1CC1[CH]C

94.15

512.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.03	95.70	30.91	47.67	69.75	80.40
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(RCCJ) + radical(Cds_P)

C7H10(512)

[CH]=CC1CC1C[CH2]

94.15

513.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
124.38	96.73	30.15	46.61	69.23	79.81
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_P) + radical(Cs_S)

C7H10(513)

[CH]=CC1CC1[CH]C

94.15

514.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.54	111.16	31.79	48.71	72.27	83.46
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH) + ring(Cyclopropane)

C7H10(514)

C=CC1CC1[C]C

94.15

515.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.81	92.35	31.12	47.55	69.83	80.14
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH) + ring(Cyclopropane)

C7H10(515)

[CH]CC1CC1C=C

94.15

516.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
66.61	92.40	29.94	48.38	73.80	86.86
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Isobutyl)

C7H11(516)

[CH2]C1CC(C=C)C1

95.16

517.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
38.74	92.78	33.04	49.20	70.13	80.30
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH)

C7H10(517)

C=CCC(=C)C=C

94.15

518.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
44.56	93.81	32.08	48.77	73.23	85.22
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Allyl_T)

C7H11(518)

C=CC[C](C)C=C

95.16

519.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
46.63	95.94	34.52	50.48	73.99	84.82
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P)

C7H11(519)

[CH2]C=CC(C)C=C

95.16

520.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.16	100.68	33.56	49.56	72.99	83.97
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(520)

C=[C]C(C)CC=C

95.16

521.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.16	100.68	33.56	49.56	72.99	83.97
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(521)

C=[C]CC(C)C=C

95.16

522.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.36	100.26	33.72	50.13	73.29	84.24
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_P)

C7H11(522)

[CH]=CC(C)CC=C

95.16

523.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.36	100.26	33.72	50.13	73.29	84.24
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_P)

C7H11(523)

[CH]=CCC(C)C=C

95.16

524.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.28	96.75	33.37	49.57	71.23	81.34
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) + radical(Allyl_P)

C7H10(524)

[CH2]C=C([CH2])CC=C

94.15

525.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.96	87.78	24.58	35.59	51.69	61.59
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Isobutyl) + radical(Isobutyl)

C5H8(525)

[CH2]C([CH2])C=C

68.12

526.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.15	104.40	32.97	47.71	69.18	80.16
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Isobutyl) + radical(Cds_S)

C7H10(526)

[CH2]C([C]=C)CC=C

94.15

527.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.15	104.40	32.97	47.71	69.18	80.16
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Isobutyl)

C7H10(527)

[CH2]C(C=C)C[C]=C

94.15

528.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.35	101.06	33.09	48.80	70.35	80.42
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(CCJ2_triplet)

C7H10(528)

[CH]C(C=C)CC=C

94.15

529.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
122.44	110.26	29.28	41.02	59.26	68.00
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH)

C6H8(529)

C=C[C]CC=C

80.13

530.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
60.89	90.72	30.37	46.86	69.59	80.35
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Methylene_cyclopropane)

C7H10(530)

C=CCC=C1CC1

94.15

531.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
68.45	80.74	29.13	45.56	70.23	81.50
Thermo group additivity estimation: group(Cs-CtCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtCs) + ring(cyclohexyne)

C7H10(531)

CC1C#CCCC1

94.15

532.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
88.76	73.59	22.56	37.20	58.49	68.23
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl) + radical(Cds_S)

C6H8(532)

[C]1=C[CH]CCC1

80.13

533.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
80.24	80.45	27.46	44.93	70.60	83.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Allyl_T) + radical(Cds_S)

C7H10(533)

C[C]1C=[C]CCC1

94.15

534.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.29	88.58	27.75	44.68	69.88	81.32
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical(Cs_S)

C7H10(534)

CC1[CH]CC[C]=C1

94.15

535.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.29	89.04	27.49	43.79	69.43	81.58
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical(RCCJCC)

C7H10(535)

CC1C=[C]C[CH]C1

94.15

536.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.84	85.95	28.93	45.73	70.29	81.79
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical(Cds_S)

C7H10(536)

CC1[C]=[C]CCC1

94.15

537.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.24	100.56	34.33	50.33	73.61	84.42
Thermo group additivity estimation: group(Cs-(Cds-Cdd-Cd)CsCsH) + group(Cs- CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cdd-CdsCds) + radical(RCCJ)

C7H11(537)

[CH2]CC(C)C=C=C

95.16

538.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.11	102.97	34.21	49.01	72.30	85.01
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(RCCJC)

C7H11(538)

C#CCCC[CH]C

95.16

539.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
55.87	77.40	24.09	39.29	61.65	72.07
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S)

C6H9(539)

[C]1=CCCCC1

81.14

540.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
28.76	80.91	28.29	47.67	74.91	87.42
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsCs) + group(Cds-CdsHH) + ring(methylenecyclopentane) + radical(Allyl_S)

C7H11(540)

C=C1[CH]C(C)CC1

95.16

541.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
80.56	74.66	26.10	44.25	70.17	81.96
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + polycyclic(s3_4_6_ene_4)

C7H10(541)

C1=C2CCCC1C2

94.15

542.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
60.87	80.83	26.17	43.69	72.59	85.62
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_4_6_ane) + radical(bicyclo[3.1.1]heptane-C1)

C7H11(542)

C1C[C]2CC(C1)C2

95.16

543.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.87	80.10	25.68	44.17	73.08	86.07
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_4_6_ane) + radical(bicyclo[3.1.1]heptane-C2)

C7H11(543)

[CH]1CCC2CC1C2

95.16

544.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.57	78.72	25.68	44.17	73.08	86.07
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_4_6_ane) + radical(bicyclo[3.1.1]heptane-C3)

C7H11(544)

[CH]1CC2CC(C1)C2

95.16

545.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.77	85.34	24.83	40.72	68.43	80.57
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_4_6_ane) + radical(bicyclo[3.1.1]heptane-C6) + radical(bicyclo[3.1.1]heptane-C1)

C7H10(545)

[CH]1[C]2CCCC1C2

94.15

546.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.17	83.23	24.33	41.20	68.89	81.03
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_4_6_ane) + radical(bicyclo[3.1.1]heptane-C6) + radical(bicyclo[3.1.1]heptane-C6)

C7H10(546)

[CH]1C2[CH]C1CCC2

94.15

547.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.77	84.61	24.33	41.20	68.89	81.03
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_4_6_ane) + radical(bicyclo[3.1.1]heptane-C2) + radical(bicyclo[3.1.1]heptane-C6)

C7H10(547)

[CH]1CCC2[CH]C1C2

94.15

548.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.47	74.21	26.21	44.48	70.89	82.76
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s3_4_6_ane) + radical(CCJ2_triplet)

C7H10(548)

[C]1C2CCCC1C2

94.15

549.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
63.36	95.03	33.77	48.64	70.42	80.27
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + group(Cdd-CdsCds)

C7H10(549)

C=C=C=CCCC

94.15

550.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
68.17	65.12	17.42	24.67	33.61	37.83
Thermo group additivity estimation: group(Cds-CdsCtH) + group(Cds-CdsHH) + group (Ct-Ct(Cds-Cds)) + group(Ct-CtH)

C4H4(550)

C#CC=C

52.07

551.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.80	77.91	22.66	32.74	46.65	54.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CC=CCJ) + radical(C=CJC=C)

C5H6(551)

[CH2]C=[C]C=C

66.10

552.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.14	90.49	28.82	41.06	57.96	66.86
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(RCCJ) + radical(C=CJC=C)

C6H8(552)

[CH2]CC=[C]C=C

80.13

553.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.84	70.72	18.24	25.02	33.82	39.03
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(C=C=CJ) + radical(Allyl_P)

C4H4(553)

[CH]=C=C[CH2]

52.07

554.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
92.30	99.52	32.98	47.50	69.66	81.65
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CtHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(Sec_Propargyl) + radical(Propargyl)

C7H10(554)

[CH2]C#C[CH]CCC

94.15

555.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
109.88	99.80	35.17	51.59	76.91	88.63
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cdd-CdsCds) + radical(AllylJ2_triplet)

C7H10(555)

[CH]C=C=CCCC

94.15

556.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
63.94	89.96	31.63	49.05	73.79	85.46
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsCs) + group(Cds-CdsCsH) + ring(Methylene_cyclopropane) + radical(Allyl_S)

C7H11(556)

CCCC=C1[CH]C1

95.16

557.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.15	87.08	29.60	42.96	61.66	71.52
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(C=CJC=C)

C6H9(557)

C=C[C]=CCC

81.14

558.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
128.39	84.82	25.21	35.71	52.10	59.72
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(CdCdJ2_triplet)

C5H8(558)

[C]=CCCC

68.12

559.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
55.01	97.84	33.72	49.18	72.83	87.03
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CtHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(Sec_Propargyl)

C7H11(559)

CC#C[CH]CCC

95.16

560.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
55.21	98.72	33.20	48.85	72.63	87.00
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(Sec_Propargyl)

C7H11(560)

C[CH]C#CCCC

95.16

561.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
53.28	95.66	34.83	50.64	73.79	85.45
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CJC=C)

C7H11(561)

CC=[C]C=CCC

95.16

562.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.64	102.74	33.34	48.31	72.29	83.89
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cdd-CdsCds) + radical(RCCJC)

C7H11(562)

C[CH]CC=C=CC

95.16

563.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.29	101.03	34.31	49.74	73.15	83.91
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cdd-CdsCds) + radical(RCCJ)

C7H11(563)

[CH2]CCC=C=CC

95.16

564.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.12	92.79	31.33	48.57	73.20	84.89
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-vinyl)

C7H11(564)

CCCC1[C]=CC1

95.16

565.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.59	87.97	29.77	42.42	61.04	71.97
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct-CtH) + radical(Sec_Propargyl)

C6H9(565)

C#C[CH]CCC

81.14

566.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.07	95.42	30.16	47.52	72.79	84.42
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Cs_S)

C7H11(566)

CC[CH]C1C=CC1

95.16

567.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.48	96.76	34.35	50.14	73.01	83.86
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(Cds_S)

C7H11(567)

C[C]=CC=CCC

95.16

568.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
53.28	95.66	34.83	50.64	73.79	85.45
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CJC=C)

C7H11(568)

CC=C[C]=CCC

95.16

569.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.48	96.76	34.35	50.14	73.01	83.86
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(Cds_S)

C7H11(569)

CC=CC=[C]CC

95.16

570.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
33.57	93.11	31.51	48.43	73.18	85.39
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(C=CCJC=C)

C7H11(570)

CC=C[CH]C=CC

95.16

571.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
58.99	75.00	20.37	29.58	43.36	50.19
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P)

C4H7(571)

[CH]=CCC

55.10

572.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.31	97.64	30.18	47.37	72.34	84.16
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(cyclopropane)

C7H11(572)

CCC=CC1[CH]C1

95.16

573.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
26.80	83.14	28.73	47.45	73.87	86.20
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-allyl)

C7H11(573)

CCC1[CH]C=CC1

95.16

574.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
38.24	85.79	27.75	41.85	61.69	71.86
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ)

C6H9(574)

[CH2]C=CC=CC

81.14

575.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.55	87.76	29.29	43.03	61.21	70.18
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(Cds_P)

C6H9(575)

[CH]=CC=CCC

81.14

576.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.84	95.41	30.52	47.93	72.72	84.55
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane)

C7H11(576)

C=CC1[CH]C1CC

95.16

577.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
80.61	84.38	25.77	38.63	58.88	68.68
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(AllylJ2_triplet)

C5H8(577)

[CH]C=CCC

68.12

578.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.73	92.02	30.84	48.73	73.29	86.14
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Isobutyl)

C7H11(578)

[CH2]C1C=CC1CC

95.16

579.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.76	68.06	17.04	24.28	35.35	41.04
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsHHH) + group (Cs-CsHHH) + radical(CCJ2_triplet)

C3H6(579)

[CH]CC

42.08

580.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.37	88.01	29.26	48.44	73.39	86.56
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclopropane) + ring(Cyclopropane) + radical(Isobutyl)

C7H11(580)

[CH2]C1CC1C1CC1

95.16

581.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
31.04	74.74	21.22	34.36	52.09	60.87
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane)

C5H8(581)

C=CC1CC1

68.12

582.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
65.33	97.44	31.29	47.33	72.21	83.81
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Tertalkyl)

C7H11(582)

C=CCC[C]1CC1

95.16

583.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.09	92.37	31.31	49.46	73.94	85.60
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_P)

C7H11(583)

[CH2]C=CCC1CC1

95.16

584.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
77.83	95.39	31.78	48.89	73.05	84.52
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_S)

C7H11(584)

C=[C]CCC1CC1

95.16

585.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
80.03	94.97	31.95	49.46	73.39	84.78
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_P)

C7H11(585)

[CH]=CCCC1CC1

95.16

586.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.98	84.28	21.68	33.74	51.46	59.84
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclopropane) + radical(Cs_S) + radical(RCCJ)

C5H8(586)

[CH2][CH]C1CC1

68.12

587.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.08	89.28	27.41	46.57	73.52	86.18
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclopropane) + ring(Cyclobutane) + radical(cyclobutane)

C7H11(587)

[CH]1CC(C1)C1CC1

95.16

588.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.94	95.99	31.29	49.06	73.14	85.77
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Isobutyl)

C7H11(588)

[CH2]C(C=C)C1CC1

95.16

589.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
128.02	93.58	31.32	48.13	70.46	80.96
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(CCJ2_triplet)

C7H10(589)

C=CC[C]C1CC1

94.15

590.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
44.54	91.15	33.47	48.50	69.95	79.96
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cdd-CdsCds)

C7H10(590)

CC=C=CC=CC

94.15

591.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
66.57	100.34	33.27	48.43	72.14	83.18
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Cds_S)

C7H11(591)

CC=[C]CC=CC

95.16

592.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
66.57	100.34	33.27	48.43	72.14	83.18
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Cds_S)

C7H11(592)

C[C]=CCC=CC

95.16

593.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
98.93	87.34	29.58	43.79	64.29	74.31
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(AllylJ2_triplet)

C6H8(593)

[CH]C=CC=CC

80.13

594.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.46	96.29	31.16	46.52	69.41	80.60
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Cds_S) + radical(C=CCJC=C)

C7H10(594)

C[C]=C[CH]C=CC

94.15

595.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
86.77	91.85	33.29	48.57	70.58	81.63
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CJC=C) + radical(Allyl_S)

C7H10(595)

C[CH]C=C[C]=CC

94.15

596.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.90	94.57	30.27	47.39	72.38	84.29
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(cyclopropane)

C7H11(596)

CC=CC1[CH]C1C

95.16

597.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
63.75	65.20	15.26	21.30	30.92	35.84
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P)

C3H5(597)

[CH]=CC

41.07

598.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
85.37	74.58	20.66	30.34	46.45	54.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(AllylJ2_triplet)

C4H6(598)

[CH]C=CC

54.09

599.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
86.77	91.85	33.29	48.57	70.58	81.63
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CJC=C) + radical(Allyl_S)

C7H10(599)

C[CH]C=[C]C=CC

94.15

600.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
65.08	92.74	29.89	47.62	72.85	84.70
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Cs_S)

C7H11(600)

C[CH]C1C=CC1C

95.16

601.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
24.81	79.07	28.46	47.55	73.94	86.48
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-allyl)

C7H11(601)

CC1[CH]C=CC1C

95.16

603.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
86.69	58.64	11.58	16.04	22.98	26.82
Thermo group additivity estimation: group(Cs-CsHHH) + group(Cs-CsHHH) + radical(CCJ2_triplet)

C2H4(603)

[CH]C

28.05

602.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
77.31	77.96	24.18	34.74	48.78	55.82
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_P)

C5H7(602)

[CH]=CC=CC

67.11

604.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
22.03	82.21	29.40	47.30	70.49	81.63
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group (Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentene)

C7H10(604)

C=CC1=CCCC1

94.15

605.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
8.70	69.41	19.60	32.99	52.18	61.33
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene)

C5H8(605)

C1=CCCC1

68.12

606.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
30.66	84.81	29.25	48.36	75.07	87.29
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(methylenecyclopentane) + radical(Allyl_P)

C7H11(606)

[CH2]C=C1CCCC1

95.16

607.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.85	90.68	28.57	46.87	72.99	85.98
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(Cds_S)

C7H11(607)

C=[C]C1CCCC1

95.16

608.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.05	90.26	28.74	47.43	73.34	86.23
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(Cds_P)

C7H11(608)

[CH]=CC1CCCC1

95.16

609.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.24	82.82	17.44	28.78	49.91	60.96
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclopentane) + radical(cyclopentane) + radical(cyclopentane)

C5H8(609)

[CH]1[CH]CCC1

68.12

610.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.47	99.19	34.54	49.96	73.12	83.89
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(RCCJ)

C7H11(610)

[CH2]CC(C=C)C=C

95.16

611.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.04	88.87	28.11	46.11	70.41	82.41
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentane) + radical(CCJ2_triplet)

C7H10(611)

C=CC1[C]CCC1

94.15

612.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
43.61	87.98	29.41	47.79	73.32	86.50
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(Isobutyl)

C7H11(612)

[CH2]C1C=CCC1C

95.16

613.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
4.65	63.81	15.45	22.64	34.38	40.37
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsHH)

C3H6(613)

C=CC

42.08

614.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.01	73.80	15.75	22.08	33.87	39.68
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsHHH) + group (Cs-CsHHH) + radical(RCCJ) + radical(CCJC)

C3H6(614)

[CH2][CH]C

42.08

615.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
100.40	89.55	24.24	34.42	51.29	59.82
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJC) + radical(Cds_P)

C5H8(615)

[CH]=CC[CH]C

68.12

616.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.41	93.20	29.17	47.25	73.38	85.64
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane)

C7H11(616)

C=CC1[CH]CC1C

95.16

617.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.07	96.11	30.07	47.06	72.56	84.99
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJC)

C7H11(617)

C[CH]CC1C=CC1

95.16

618.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.54	88.55	28.66	41.70	58.28	66.36
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(CCJ2_triplet)

C6H8(618)

[CH]CC=CC=C

80.13

619.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
115.61	95.79	34.12	49.93	70.67	80.57
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(CCJ2_triplet)

C7H10(619)

C=CC=CC[C]C

94.15

620.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
58.07	87.48	30.28	47.41	70.11	81.04
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cdd- Cd)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cdd-CdsCds) + ring(Cyclopropane)

C7H10(620)

C=C=CC1CC1C

94.15

621.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.90	91.87	31.26	48.47	72.78	84.55
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Cds_S)

C7H11(621)

C[C]=CC1CC1C

95.16

622.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.90	91.87	31.26	48.47	72.78	84.55
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Cds_S)

C7H11(622)

CC=[C]C1CC1C

95.16

623.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
47.30	86.37	29.79	47.67	73.08	85.78
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_T)

C7H11(623)

CC=C[C]1CC1C

95.16

624.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
60.40	95.30	30.77	46.91	71.92	83.83
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Tertalkyl)

C7H11(624)

CC=CC1C[C]1C

95.16

625.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
65.00	93.78	31.03	48.53	72.80	85.51
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Isobutyl)

C7H11(625)

[CH2]C1CC1C=CC

95.16

626.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.16	87.46	24.49	38.29	57.34	66.36
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + ring(Cyclopropane) + radical(cyclopropane) + radical(Allyl_P)

C6H8(626)

[CH2]C=CC1[CH]C1

80.13

627.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
96.49	94.93	30.18	46.11	69.31	80.40
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Tertalkyl) + radical(Allyl_P)

C7H10(627)

[CH2]C=CC1C[C]1C

94.15

628.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.47	71.52	17.17	27.37	42.82	50.50
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclopropane) + radical(cyclopropane)

C4H7(628)

CC1[CH]C1

55.10

629.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.39	86.00	29.21	46.87	70.52	82.33
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_T) + radical(Allyl_P)

C7H10(629)

[CH2]C=C[C]1CC1C

94.15

630.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.99	94.20	29.69	46.60	69.81	80.85
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_P) + radical(cyclopropane)

C7H10(630)

[CH2]C=CC1[CH]C1C

94.15

631.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.99	91.50	30.68	47.67	70.21	81.10
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_P) + radical(Cds_S)

C7H10(631)

[CH2]C=[C]C1CC1C

94.15

632.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.99	91.50	30.68	47.67	70.21	81.10
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_P) + radical(Cds_S)

C7H10(632)

[CH2][C]=CC1CC1C

94.15

633.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
78.27	88.80	28.49	47.31	72.95	85.35
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclopropane) + ring(Cyclopropane) + radical(cyclopropane)

C7H11(633)

CC1CC1C1[CH]C1

95.16

634.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.47	57.91	11.64	15.36	22.28	25.71
Thermo group additivity estimation: group(Cs-CsHHH) + group(CsJ2_singlet-CsH)

C2H4(634)

[CH]C

28.05

635.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.27	82.95	25.84	41.26	61.55	71.39
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + ring(Cyclopropane) + radical(Allyl_P)

C6H9(635)

[CH2]C=CC1CC1

81.14

636.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
82.97	82.87	26.22	41.33	61.09	70.84
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_P)

C6H9(636)

[CH]=CC1CC1C

81.14

637.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.59	92.25	31.61	50.38	76.58	89.33
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(AllylJ2_triplet)

C7H10(637)

[CH]C=CC1CC1C

94.15

638.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.64	85.46	31.49	48.69	70.42	81.24
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Methylene_cyclopropane)

C7H10(638)

C=CC=C1CC1C

94.15

639.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.41	93.20	29.17	47.25	73.38	85.64
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane)

C7H11(639)

C=CC1[CH]C(C)C1

95.16

640.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.49	75.93	22.90	35.99	53.11	61.67
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + ring(Cyclopropane) + radical(CCJ2_triplet)

C5H8(640)

[CH]C1CC1C

68.12

641.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.82	87.17	30.16	48.38	73.84	85.84
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-allyl)

C7H11(641)

CCCC1[CH]C=C1

95.16

642.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.12	92.79	31.33	48.57	73.20	84.89
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-vinyl)

C7H11(642)

CCCC1C=[C]C1

95.16

643.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.65	84.98	25.45	40.34	60.92	70.80
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + ring(Cyclobutene) + radical(RCCJ)

C6H9(643)

[CH2]CC1C=CC1

81.14

644.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.81	93.17	30.87	47.80	70.61	81.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(CCJ2_triplet)

C7H10(644)

[CH]CCC1C=CC1

94.15

645.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
51.49	88.94	30.36	48.18	73.35	85.21
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_S)

C7H11(645)

CC=C[CH]C1CC1

95.16

646.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.73	91.72	30.65	48.68	73.37	85.29
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJ)

C7H11(646)

[CH2]CC1C=CC1C

95.16

647.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
112.67	97.14	33.87	49.40	70.35	80.31
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(CCJ2_triplet)

C7H10(647)

[CH]CC=CC=CC

94.15

648.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.39	96.61	31.05	46.79	71.90	83.54
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Tertalkyl)

C7H11(648)

CC=CC[C]1CC1

95.16

649.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.89	94.56	31.53	48.36	72.72	84.27
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Cds_S)

C7H11(649)

CC=[C]CC1CC1

95.16

650.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.89	97.26	30.54	47.29	72.33	84.01
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(cyclopropane)

C7H11(650)

CC=CCC1[CH]C1

95.16

651.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.89	94.56	31.53	48.36	72.72	84.27
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Cds_S)

C7H11(651)

C[C]=CCC1CC1

95.16

652.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
78.27	88.80	28.49	47.31	72.95	85.35
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclopropane) + ring(Cyclopropane) + radical(cyclopropane)

C7H11(652)

CC1[CH]C1C1CC1

95.16

653.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.41	96.54	30.76	48.46	72.84	84.53
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(RCCJ)

C7H11(653)

[CH2]CC=CC1CC1

95.16

654.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
75.31	94.94	31.17	48.45	72.74	84.41
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Cds_S)

C7H11(654)

CC[C]=CC1CC1

95.16

655.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
75.31	94.94	31.17	48.45	72.74	84.41
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Cds_S)

C7H11(655)

CCC=[C]C1CC1

95.16

656.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
49.71	88.06	29.70	47.65	73.04	85.65
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(Allyl_T)

C7H11(656)

CCC=C[C]1CC1

95.16

657.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
89.39	95.30	34.61	49.86	73.02	83.78
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(Cs_S)

C7H11(657)

CC[CH]C1C=C1C

95.16

658.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
45.96	93.38	31.69	47.42	69.88	81.21
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CtHHH) + group(Cds-CdsCsH) + group(Cds-CdsCtH) + group(Ct-CtCs) + group (Ct-Ct(Cds-Cds))

C7H10(658)

CC#CC=CCC

94.15

659.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
44.28	59.28	14.56	19.70	27.59	32.80
Thermo group additivity estimation: group(Cs-CtHHH) + group(Ct-CtCs) + group(Ct- CtH)

C#CC(659)

C#CC

40.06

660.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.13	87.60	27.39	39.95	57.89	67.07
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(Cds_S) + radical(C=CC=CCJ)

C6H8(660)

[CH2]C=CC=[C]C

80.13

661.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
134.20	79.77	23.82	32.83	44.99	51.04
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_S) + radical(Cds_P)

C5H6(661)

[CH]=CC=[C]C

66.10

662.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.37	98.57	33.93	48.31	69.10	79.09
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(Cds_S) + radical(Cds_S)

C7H10(662)

C[C]=CC=[C]CC

94.15

663.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.64	67.01	14.91	19.40	27.12	31.09
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P) + radical(Cds_S)

C3H4(663)

[CH]=[C]C

40.06

664.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.17	97.47	34.41	48.82	69.85	80.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(Cds_S) + radical(C=CJC=C)

C7H10(664)

C[C]=C[C]=CCC

94.15

665.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.35	102.74	31.94	45.40	68.11	82.09
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CtHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(RCCJCC) + radical(Sec_Propargyl)

C7H10(665)

CC#C[CH][CH]CC

94.15

666.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
50.03	84.61	29.59	47.88	73.58	86.41
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Allyl_T)

C7H11(666)

CCC1C=C[C]1C

95.16

667.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.24	86.96	29.28	41.84	60.60	69.52
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(Cds_S)

C6H9(667)

C[C]=CC=CC

81.14

668.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
146.88	88.16	28.63	40.92	57.56	65.41
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(CdCdJ2_triplet)

C6H8(668)

[C]=CC=CCC

80.13

669.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
98.74	82.13	27.90	40.48	54.62	61.84
Thermo group additivity estimation: group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_P)

C6H7(669)

[CH]=CC=CC=C

79.12

670.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
88.67	91.14	32.93	47.62	66.30	75.55
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_S)

C7H9(670)

C=CC=CC=[C]C

93.15

671.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
72.44	91.79	31.62	46.59	67.26	77.53
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cdd-CdsCds) + radical(C=CC=CCJ)

C7H9(671)

[CH2]C=CC=C=CC

93.15

672.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
79.47	90.04	33.41	48.12	67.08	77.15
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C)

C7H9(672)

C=C[C]=CC=CC

93.15

673.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
79.47	90.04	33.41	48.12	67.08	77.15
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C)

C7H9(673)

C=CC=[C]C=CC

93.15

674.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
75.64	91.90	30.17	45.47	66.71	77.10
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(C=CCJC=C)

C7H9(674)

C=C=C[CH]C=CC

93.15

675.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.87	90.72	33.10	48.19	66.64	75.81
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_P)

C7H9(675)

[CH]=CC=CC=CC

93.15

676.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.70	97.35	32.09	46.82	69.47	79.61
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Allyl_S)

C7H10(676)

C=CC[CH]C=[C]C

94.15

677.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.54	98.95	34.48	49.58	70.32	79.80
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsHHH) + group (Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(CsJ2_singlet-(Cds-Cds-Cds-Cds)Cs_6_ring)

C7H10(677)

C=CC=C[C]CC

94.15

678.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.57	118.85	34.53	48.72	71.24	82.03
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH)

C7H10(678)

C=C[C]CC=CC

94.15

679.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.57	118.85	34.53	48.72	71.24	82.03
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH)

C7H10(679)

C=CC[C]C=CC

94.15

680.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.60	98.12	34.23	49.04	70.01	79.54
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsCsH) + group(CsJ2_singlet-(Cds-Cds-Cds-Cds)Cs_6_ring)

C7H10(680)

C[C]C=CC=CC

94.15

681.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.28	96.03	34.23	48.74	69.54	79.08
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(CsJ2_singlet-CsH)

C7H10(681)

[CH]CC=CC=CC

94.15

682.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
49.09	84.89	30.06	46.68	69.81	80.87
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds )(Cds-Cds)CsH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene)

C7H10(682)

C=CC1C=CC1C

94.15

683.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.14	86.74	30.08	46.03	69.42	80.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene)

C7H10(683)

CC=CC1C=CC1

94.15

684.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
36.10	76.62	26.55	44.62	70.13	81.82
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds- CdsCsCs) + group(Cds-CdsHH) + polycyclic(s2_3_5_ane)

C7H10(684)

C=C1C2CCCC12

94.15

685.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
50.96	83.73	27.94	45.03	72.74	85.26
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(Tertalkyl)

C7H11(685)

C[C]1C2CCCC12

95.16

686.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
63.06	85.10	27.94	45.03	72.74	85.26
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(bicyclo[3.1.0]hexane- tertiary)

C7H11(686)

CC1[C]2CCCC21

95.16

687.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.06	84.37	27.44	45.51	73.22	85.72
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(bicyclo[3.1.0]hexane-C5-2)

C7H11(687)

CC1C2[CH]CCC12

95.16

688.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.56	84.37	27.44	45.51	73.22	85.72
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(bicyclo[3.1.0]hexane-C5-3)

C7H11(688)

CC1C2C[CH]CC12

95.16

689.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
112.06	88.82	27.35	43.18	68.93	81.45
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(Isobutyl) + radical(bicyclo[3.1.0]hexane-tertiary)

C7H10(689)

[CH2]C1[C]2CCCC21

94.15

690.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.96	87.44	27.35	43.18	68.93	81.45
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(Tertalkyl) + radical(Isobutyl)

C7H10(690)

[CH2][C]1C2CCCC12

94.15

691.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
97.06	88.09	26.86	43.67	69.42	81.90
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(Isobutyl) + radical(bicyclo[3.1.0]hexane-C5-2)

C7H10(691)

[CH2]C1C2[CH]CCC12

94.15

692.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
97.56	88.09	26.86	43.67	69.42	81.90
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(bicyclo[3.1.0]hexane-C5-3) + radical(Isobutyl)

C7H10(692)

[CH2]C1C2C[CH]CC12

94.15

693.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.93	76.26	22.25	37.21	60.74	71.23
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_5_ane) + radical(bicyclo[3.1.0]hexane-C3)

C6H9(693)

[CH]1C2CCCC12

81.14

694.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.66	82.05	27.97	45.82	71.02	82.41
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(CCJ2_triplet)

C7H10(694)

[CH]C1C2CCCC12

94.15

695.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
31.54	87.99	34.17	50.40	70.54	80.65
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds- Cds)Cs) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH)

C7H10(695)

C=CC=CC(=C)C

94.15

696.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
29.79	93.34	33.84	50.42	74.18	86.13
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ)

C7H11(696)

[CH2]C=CC=C(C)C

95.16

697.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
63.43	94.91	34.31	50.80	73.33	84.42
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_S)

C7H11(697)

C=CC=[C]C(C)C

95.16

698.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.23	93.81	34.79	51.30	74.11	86.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C)

C7H11(698)

C=C[C]=CC(C)C

95.16

699.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.23	93.81	34.79	51.30	74.11	86.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C)

C7H11(699)

C=[C]C=CC(C)C

95.16

700.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
65.63	94.49	34.48	51.37	73.66	84.68
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_P)

C7H11(700)

[CH]=CC=CC(C)C

95.16

701.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
57.68	93.98	32.01	48.49	71.58	83.68
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ) + radical(C=CC=CCJ)

C7H10(701)

[CH2]C=CC=C([CH2])C

94.15

702.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
112.42	100.01	33.72	48.97	69.52	80.61
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Isobutyl) + radical(Cds_S)

C7H10(702)

[CH2]C(C)[C]=CC=C

94.15

703.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.06	86.83	24.98	36.09	52.01	60.88
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Isobutyl) + radical(Cds_P)

C5H8(703)

[CH]=CC([CH2])C

68.12

704.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.22	98.91	34.20	49.47	70.31	82.20
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CJC=C) + radical(Isobutyl)

C7H10(704)

[CH2]C(C)C=[C]C=C

94.15

705.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.22	98.91	34.20	49.47	70.31	82.20
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Isobutyl) + radical(C=CJC=C)

C7H10(705)

[CH2]C(C)C=C[C]=C

94.15

706.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.62	99.59	33.90	49.53	69.87	80.86
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Isobutyl) + radical(Cds_P)

C7H10(706)

[CH]=CC=CC([CH2])C

94.15

707.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
29.79	93.34	33.84	50.42	74.18	86.13
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ)

C7H11(707)

[CH2]C(C)=CC=CC

95.16

708.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
67.48	93.39	30.84	48.69	73.32	86.13
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Isobutyl)

C7H11(708)

[CH2]C(C)C1C=CC1

95.16

709.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.62	96.66	33.85	50.04	70.73	80.85
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(CCJ2_triplet)

C7H10(709)

[CH]C(C)C=CC=C

94.15

710.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
89.56	95.68	34.34	49.82	73.20	83.92
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(Cs_S)

C7H11(710)

C[CH]C1C=C1CC

95.16

711.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
45.99	93.88	31.52	47.04	69.63	81.03
Thermo group additivity estimation: group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCtH) + group(Ct-CtCs) + group(Ct-Ct(Cds-Cds))

C7H10(711)

CC=CC#CCC

94.15

712.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
52.41	82.57	28.24	40.82	57.82	66.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group (Cdd-CdsCds)

C6H8(712)

C=C=CC=CC

80.13

713.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
39.55	69.58	19.49	27.61	39.75	46.99
Thermo group additivity estimation: group(Cs-CtCsHH) + group(Cs-CsHHH) + group (Ct-CtCs) + group(Ct-CtH)

C#CCC(713)

C#CCC

54.09

714.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
94.64	83.27	28.07	40.88	58.50	67.68
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(C=CJC=C) + radical(Allyl_S)

C6H8(714)

C=[C]C=C[CH]C

80.13

715.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
129.44	89.57	28.93	41.12	57.43	65.39
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(Cds_S) + radical(Cds_P)

C6H8(715)

[CH]=CC=[C]CC

80.13

716.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
115.88	76.81	20.02	27.67	39.61	45.40
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Cds_P)

C4H6(716)

[CH]=[C]CC

54.09

717.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.17	97.47	34.41	48.82	69.85	80.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(Cds_S) + radical(C=CJC=C)

C7H10(717)

CC=[C]C=[C]CC

94.15

718.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.55	103.85	31.57	45.48	68.15	82.34
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(RCCJC) + radical(Sec_Propargyl)

C7H10(718)

C[CH][CH]C#CCC

94.15

719.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
50.03	84.61	29.59	47.88	73.58	86.41
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Allyl_T)

C7H11(719)

CC[C]1C=CC1C

95.16

720.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
151.64	78.36	23.53	32.63	45.13	51.06
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(CdCdJ2_triplet)

C5H6(720)

[C]=CC=CC

66.10

721.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
60.42	94.19	33.47	48.15	70.02	80.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cdd- CdsCds) + group(Cdd-CdsCds)

C7H10(721)

CC=C=C=CCC

94.15

722.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
55.54	83.51	27.74	40.66	58.09	66.14
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCtH) + group(Ct-Ct(Cds-Cds)) + group(Ct-CtH)

C6H8(722)

C#CC=CCC

80.13

723.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
85.93	86.50	27.87	40.45	58.67	68.67
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CJC=C) + radical(C=CC=CCJ)

C6H8(723)

[CH2]C=C[C]=CC

80.13

724.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.57	80.58	24.56	35.08	52.06	60.00
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cdd-CdsCds) + radical(AllylJ2_triplet)

C5H6(724)

[CH]C=C=CC

66.10

725.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.55	86.51	27.87	40.25	58.03	67.21
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(C=C=CJ) + radical(Allyl_S)

C6H8(725)

[CH]=C=C[CH]CC

80.13

726.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.10	98.27	32.66	47.01	69.43	83.44
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(Sec_Propargyl) + radical(Sec_Propargyl)

C7H10(726)

C[CH]C#C[CH]CC

94.15

727.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.78	86.89	31.72	49.11	73.81	85.60
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Methylene_cyclopropane) + radical(Allyl_S)

C7H11(727)

CC=C1[CH]C1CC

95.16

728.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
58.04	85.86	29.73	42.34	61.37	71.09
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CJC=C)

C6H9(728)

CC=[C]C=CC

81.14

729.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.15	87.08	29.60	42.96	61.66	71.52
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(C=CJC=C)

C6H9(729)

C=[C]C=CCC

81.14

730.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
138.08	65.60	14.61	19.20	27.26	31.08
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(CdCdJ2_triplet)

C3H4(730)

[C]=CC

40.06

731.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
52.41	82.57	28.24	40.82	57.82	66.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group (Cdd-CdsCds)

C6H8(731)

C=CC=C=CC

80.13

732.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
79.13	90.11	31.06	48.68	73.27	85.17
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-vinyl)

C7H11(732)

CCC1C=[C]C1C

95.16

733.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
68.30	100.02	34.31	49.80	73.24	85.00
Thermo group additivity estimation: group(Cs-(Cds-Cdd-Cd)CsCsH) + group(Cs- CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cdd-CdsCds) + radical(Isobutyl)

C7H11(733)

[CH2]C(C)C=C=CC

95.16

734.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.45	69.13	18.85	25.94	36.34	43.52
Thermo group additivity estimation: group(Cs-CtCsHH) + group(Cs-CsHHH) + group (Ct-CtCs) + group(Ct-CtH) + radical(Sec_Propargyl)

C4H5(734)

C#C[CH]C

53.08

735.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
16.90	79.53	28.79	45.93	70.12	81.52
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene)

C7H10(735)

CC1C=CCCC=1

94.15

736.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
19.29	82.66	29.27	45.97	70.39	81.84
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(1,4-Cyclohexadiene)

C7H10(736)

CC1C=CCC=C1

94.15

737.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
56.31	75.53	27.48	45.59	71.61	83.45
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical (cyclohexene-allyl) + radical(cyclohexene-allyl)

C7H10(737)

CC1[CH]CC[CH]C=1

94.15

738.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
84.74	91.67	26.32	42.74	69.02	81.11
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(RCCJCC) + radical(Cs_S)

C7H10(738)

CC1[CH][CH]CC=C1

94.15

739.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.29	88.58	27.75	44.68	69.88	81.32
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cs_S) + radical(Cds_S)

C7H10(739)

CC1[C]=CCC[CH]1

94.15

740.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.73	83.71	27.60	45.63	73.43	85.86
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane- secondary)

C7H11(740)

CC1[CH]C2CCC12

95.16

741.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
45.32	80.49	22.65	37.35	60.78	71.87
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + ring(Cyclohexene) + radical(RCCJCC)

C6H9(741)

[CH]1CC=CCC1

81.14

742.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
43.61	87.98	29.41	47.79	73.32	86.50
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(Isobutyl)

C7H11(742)

[CH2]C1CC=CC1C

95.16

743.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.14	82.33	28.83	46.87	71.51	83.00
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(CCJ2_triplet)

C7H10(743)

CC1[C]CCC=C1

94.15

744.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.34	81.45	28.20	40.42	55.06	63.19
Thermo group additivity estimation: group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(C=CJC=C)

C6H7(744)

C=C[C]=CC=C

79.12

745.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
89.20	72.34	21.54	30.31	42.18	48.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCtH) + group(Ct-Ct(Cds-Cds)) + group(Ct-CtH) + radical(CTCC=CCJ)

C5H5(745)

C#CC=C[CH2]

65.09

746.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.89	92.52	30.43	44.97	66.14	77.58
Thermo group additivity estimation: group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCtH) + group(Ct-CtCs) + group(Ct-Ct(Cds-Cds)) + radical(CTCC=CCJ)

C7H9(746)

[CH2]C=CC#CCC

93.15

747.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.52	78.55	24.31	34.19	48.68	57.75
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CsHHH) + group(Ct-CtCs) + group(Ct-CtH) + radical(Sec_Propargyl)

C5H7(747)

C#C[CH]CC

67.11

748.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.35	93.08	33.52	47.64	67.38	77.15
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + group(Cdd-CdsCds) + radical(C=CJC=C)

C7H9(748)

C=[C]C=C=CCC

93.15

749.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.83	94.27	31.13	45.91	66.50	77.83
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CsHHH) + group(Cds-CdsCtH) + group(Cds-CdsHH) + group(Ct-CtCs) + group(Ct-Ct (Cds-Cds)) + radical(Sec_Propargyl)

C7H9(749)

C=CC#C[CH]CC

93.15

750.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.75	93.76	33.16	47.76	66.80	75.85
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + group(Cdd-CdsCds) + radical(Cds_P)

C7H9(750)

[CH]=CC=C=CCC

93.15

751.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.57	103.37	32.79	47.12	68.71	78.74
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Cds_S)

C7H10(751)

C=[C]C[C]=CCC

94.15

752.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.20	102.14	32.42	46.96	68.92	82.34
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(Sec_Propargyl) + radical(RCCJ)

C7H10(752)

[CH2]CC#C[CH]CC

94.15

753.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
128.77	102.95	33.04	47.62	69.15	78.99
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Cds_P)

C7H10(753)

[CH]=CC[C]=CCC

94.15

754.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.20	102.14	32.42	46.96	68.92	82.34
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(Sec_Propargyl) + radical(RCCJ)

C7H10(754)

[CH2]C[CH]C#CCC

94.15

755.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.45	103.45	33.21	47.86	69.53	79.38
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(Cdd-CdsCds) + radical(RCCJ) + radical(RCCJ)

C7H10(755)

[CH2]CC=C=CC[CH2]

94.15

756.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.36	108.30	28.59	46.01	71.82	84.37
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclopentane)

C7H10(756)

CCC1[C]C=CC1

94.15

757.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
123.89	117.88	34.92	49.62	71.87	82.57
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet- CsH) + group(Cdd-CdsCds)

C7H10(757)

C[C]C=C=CCC

94.15

758.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.74	119.23	34.07	48.79	71.38	82.05
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH)

C7H10(758)

C=C[C]C=CCC

94.15

759.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
129.16	99.07	34.24	48.45	69.45	79.23
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cdd-CdsCds) + group(CsJ2_singlet-CsH)

C7H10(759)

[CH]CC=C=CCC

94.15

760.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
43.43	85.81	30.21	47.71	70.15	81.08
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclobutene)

C7H10(760)

CCC=C1C=CC1

94.15

761.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
57.64	78.33	27.60	45.05	69.85	81.22
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(s2_4_4_ane) - ring(Cyclobutane) - ring(Cyclobutane) + ring(Cyclobutene) + ring(Cyclobutane)

C7H10(761)

CC1C=C2CCC21

94.15

762.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
21.55	78.53	28.62	45.20	69.85	81.16
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + polycyclic(s2_4_4_ene_1)

C7H10(762)

CC1=CC2CCC12

94.15

763.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
30.00	69.60	22.53	36.63	57.36	66.88
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + polycyclic(s2_4_4_ene_1)

C6H8(763)

C1=CC2CCC12

80.13

764.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
79.13	84.44	28.09	45.15	72.96	85.40
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane- tertiary)

C7H11(764)

CC1C[C]2CCC21

95.16

765.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.63	84.44	28.09	45.15	72.96	85.40
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(Tertalkyl)

C7H11(765)

C[C]1CC2CCC12

95.16

766.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
79.13	84.44	28.09	45.15	72.96	85.40
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane- tertiary)

C7H11(766)

CC1CC2CC[C]12

95.16

767.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.73	83.71	27.60	45.63	73.43	85.86
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane- secondary)

C7H11(767)

CC1CC2[CH]CC12

95.16

768.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
76.23	82.91	28.36	46.76	73.83	87.08
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(Isobutyl)

C7H11(768)

[CH2]C1CC2CCC12

95.16

769.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.73	83.71	27.60	45.63	73.43	85.86
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane- secondary)

C7H11(769)

CC1CC2C[CH]C12

95.16

770.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
125.62	88.95	26.75	42.18	68.80	80.35
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane- secondary) + radical(bicyclo[2.2.0]hexane-tertiary)

C7H10(770)

CC1[CH]C2CC[C]12

94.15

771.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
125.62	88.95	26.75	42.18	68.80	80.35
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane- tertiary) + radical(bicyclo[2.2.0]hexane-secondary)

C7H10(771)

CC1[CH][C]2CCC21

94.15

772.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.39	80.10	21.05	34.35	56.77	66.33
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane-secondary) + radical(bicyclo[2.2.0]hexane-secondary)

C6H8(772)

[CH]1[CH]C2CCC12

80.13

773.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.12	88.95	26.75	42.18	68.80	80.35
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(Tertalkyl) + radical(bicyclo[2.2.0]hexane-secondary)

C7H10(773)

C[C]1[CH]C2CCC12

94.15

774.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.22	88.22	26.25	42.66	69.25	80.82
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane- secondary) + radical(bicyclo[2.2.0]hexane-secondary)

C7H10(774)

CC1[CH]C2C[CH]C12

94.15

775.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.22	88.22	26.25	42.66	69.25	80.82
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane- secondary) + radical(bicyclo[2.2.0]hexane-secondary)

C7H10(775)

CC1[CH]C2[CH]CC12

94.15

776.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
122.72	87.42	27.01	43.79	69.62	82.04
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(Isobutyl) + radical(bicyclo[2.2.0]hexane-secondary)

C7H10(776)

[CH2]C1[CH]C2CCC12

94.15

777.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
80.90	76.97	22.40	37.33	60.95	71.37
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_4_ane) + radical(bicyclo[2.2.0]hexane-secondary)

C6H9(777)

[CH]1CC2CCC12

81.14

778.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.94	78.73	26.11	44.91	73.02	85.77
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s3_4_5_ane) + radical(bicyclo[2.1.1]hexane-C5)

C7H11(778)

CC1C2[CH]C1CC2

95.16

779.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.86	86.85	28.35	46.28	72.96	84.86
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_4_ane) + radical(Cs_S)

C7H11(779)

C[CH]C1C2CCC12

95.16

780.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.68	68.33	19.24	31.91	49.10	57.40
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-allyl)

C5H7(780)

CC1[CH]C=C1

67.11

781.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
134.32	79.20	28.12	45.94	71.23	82.55
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_4_4_ane) + radical(CCJ2_triplet)

C7H10(781)

CC1[C]C2CCC12

94.15

782.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
80.31	83.20	26.41	38.89	55.22	63.57
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group (Cdd-CdsCds) + radical(C=CC=CCJ)

C6H7(782)

[CH2]C=CC=C=C

79.12

783.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.38	75.37	22.84	31.78	42.31	47.54
Thermo group additivity estimation: group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(Cds_P)

C5H5(783)

[CH]=CC=C=C

65.09

784.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
104.55	94.18	33.00	47.18	66.52	75.57
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + group(Cdd-CdsCds) + radical(Cds_S)

C7H9(784)

C=C=CC=[C]CC

93.15

785.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.58	60.95	13.76	18.09	24.25	27.47
Thermo group additivity estimation: group(Cs-CtHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(Propargyl)

C3H3(785)

C#C[CH2]

39.06

786.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.26	95.06	30.90	45.81	66.59	75.87
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CtHHH) + group(Cds-CdsCsH) + group(Cds-CdsCtH) + group(Ct-CtCs) + group (Ct-Ct(Cds-Cds)) + radical(Propargyl)

C7H9(786)

[CH2]C#CC=CCC

93.15

787.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
84.11	89.12	31.67	46.81	67.32	76.51
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCtH) + group(Ct-Ct(Cds-Cds)) + group(Ct-CtH) + radical(Allyl_S)

C7H9(787)

C#CC=C[CH]CC

93.15

788.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.75	104.87	31.71	45.53	68.11	80.25
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CtHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(Propargyl) + radical(RCCJCC)

C7H10(788)

[CH2]C#CC[CH]CC

94.15

789.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.57	103.37	32.79	47.12	68.71	78.74
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Cds_S)

C7H10(789)

C=[C]CC=[C]CC

94.15

790.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.57	106.76	32.69	46.60	68.48	79.31
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(RCCJCC) + radical(RCCJ)

C7H10(790)

[CH2]C[CH]CC=C=C

94.15

791.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.00	102.29	33.44	46.91	68.64	81.27
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(Sec_Propargyl) + radical(RCCJCC)

C7H10(791)

C#C[CH]C[CH]CC

94.15

792.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
94.62	95.93	33.34	48.47	70.47	81.41
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(C=C=CJ) + radical(Allyl_S)

C7H10(792)

[CH]=C=C[CH]CCC

94.15

793.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.61	108.30	28.59	46.05	71.80	84.38
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclopentane)

C7H10(793)

CCC1C=C[C]C1

94.15

794.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
50.61	92.93	33.21	48.89	70.50	80.35
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCtH) + group(Ct-Ct(Cds-Cds)) + group(Ct-CtH)

C7H10(794)

C#CC=CCCC

94.15

795.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.66	118.33	35.56	50.10	72.13	82.72
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH) + group(Cdd-CdsCds)

C7H10(795)

C=C=CC[C]CC

94.15

796.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.66	118.33	35.56	50.10	72.13	82.72
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH) + group(Cdd-CdsCds)

C7H10(796)

C=C=C[C]CCC

94.15

797.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.45	96.41	33.96	48.70	69.73	79.19
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsCsH) + group(CsJ2_singlet-CsH)

C7H10(797)

[CH]C=CC=CCC

94.15

798.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
44.12	80.47	31.98	48.67	70.59	81.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsHHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclobutene)

C7H10(798)

C=C1C=CC1CC

94.15

799.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.07	96.16	29.11	45.73	69.14	80.04
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJ) + radical(Cs_S)

C7H10(799)

[CH2][CH]C1C=CC1C

94.15

800.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.41	100.55	28.54	44.10	68.36	79.73
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(RCCJC) + radical(Cs_S)

C7H10(800)

C[CH][CH]C1C=CC1

94.15

801.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.80	84.17	27.88	45.71	70.16	82.66
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-allyl) + radical(Isobutyl)

C7H10(801)

[CH2]C1[CH]C=CC1C

94.15

802.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.89	98.29	29.68	45.55	68.58	80.48
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropane) + radical(cyclopropane) + radical(Isobutyl)

C7H10(802)

[CH2]C1[CH]C1C=CC

94.15

803.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.70	97.35	32.09	46.82	69.47	79.61
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Allyl_S)

C7H10(803)

C=CC[CH][C]=CC

94.15

804.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
51.74	95.95	32.35	47.31	69.57	79.60
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds)

C7H10(804)

C=CCC=C=CC

94.15

805.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.07	96.46	29.30	45.78	69.06	80.89
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Cs_S) + radical(Isobutyl)

C7H10(805)

[CH2]C1C=CC1[CH]C

94.15

806.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
39.76	66.32	42.88	59.72	82.12	92.37
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(Cdd-CdsCds) + ring(six-inringtwodouble-12)

C7H10(806)

CC1CC=C=CC1

94.15

807.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
78.21	75.30	21.12	35.26	57.61	68.03
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + ring(Cyclohexene) + radical(RCCJCC) + radical(cyclohexene-allyl)

C6H8(807)

[CH]1C=CC[CH]C1

80.13

808.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.09	82.38	27.26	43.95	70.07	82.02
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl) + radical(Tertalkyl)

C7H10(808)

C[C]1C[CH]C=CC1

94.15

809.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.69	82.23	27.54	45.56	70.98	83.68
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl) + radical(Isobutyl)

C7H10(809)

[CH2]C1C[CH]C=CC1

94.15

810.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.59	80.33	27.76	45.51	70.96	82.72
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical (cyclohexene-allyl)

C7H10(810)

CC1C[C]=C[CH]C1

94.15

811.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
81.59	78.95	27.76	45.51	70.96	82.72
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(cyclohexene-allyl) + radical(Cds_S)

C7H10(811)

CC1C[CH][C]=CC1

94.15

812.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.76	84.37	27.44	45.51	73.22	85.72
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s2_3_5_ane) + radical(bicyclo[3.1.0]hexane-C3)

C7H11(812)

CC1CC2[CH]C2C1

95.16

813.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
98.07	83.26	26.69	41.28	65.96	77.08
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cdd-CdsCds) + ring(1_2_cycloheptadiene) + radical(RCCJCC)

C7H9(813)

C1=CC[CH]CCC=1

93.15

814.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.02	88.49	25.77	41.89	69.19	80.97
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C6-3) + radical(bicyclo[4.1.0]heptane-C3-7)

C7H10(814)

[CH]1CCC2[CH]C2C1

94.15

815.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
102.63	85.09	24.96	41.52	69.14	81.07
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane-C5-2) + radical(bicyclo[3.2.0]heptane-C5-3)

C7H10(815)

[CH]1[CH]C2CCC2C1

94.15

816.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
34.05	75.66	25.92	43.91	70.09	81.87
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_4_5_ene_1)

C7H10(816)

C1=CC2CCC2C1

94.15

817.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
60.64	79.31	26.87	46.04	73.44	86.98
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s3_4_5_ane) + radical(Isobutyl)

C7H11(817)

[CH2]C1CC2CC1C2

95.16

818.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
96.07	73.75	14.74	23.66	39.18	46.28
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + ring(Cyclobutane) + radical(cyclobutane) + radical(cyclobutane)

C4H6(818)

[CH]1C[CH]C1

54.09

819.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.10	82.44	20.70	33.09	52.07	61.99
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclobutane) + radical(Isobutyl) + radical(cyclobutane)

C5H8(819)

[CH2]C1C[CH]C1

68.12

820.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.69	89.99	29.97	47.46	71.12	82.05
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(CCJ2_triplet)

C7H10(820)

C=CCC1C[C]C1

94.15

821.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.04	80.82	25.56	40.75	65.29	76.25
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_3_6_ene_1) + radical(Tertalkyl)

C7H9(821)

C1=CC2C[C]2CC1

93.15

822.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
60.94	71.89	24.60	41.51	66.47	78.19
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_3_6_ene_1) + radical(Allyl_T)

C7H9(822)

C1=C[C]2CC2CC1

93.15

823.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
75.99	80.02	24.89	41.26	65.75	76.49
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_3_6_ene_1) + radical(Cs_S)

C7H9(823)

[CH]1CC=CC2CC12

93.15

824.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.54	71.77	24.89	42.12	66.81	77.90
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_3_6_ene_1) + radical(cyclohexene- allyl)

C7H9(824)

[CH]1C=CC2CC2C1

93.15

825.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
86.54	77.39	26.06	42.31	66.17	76.96
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_3_6_ene_1) + radical(Cds_S)

C7H9(825)

[C]1=CCCC2CC12

93.15

826.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
86.54	77.39	26.06	42.31	66.17	76.96
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_3_6_ene_1) + radical(Cds_S)

C7H9(826)

[C]1=CC2CC2CC1

93.15

827.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.32	89.22	26.27	41.42	68.73	80.51
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C6-3) + radical(bicyclo[4.1.0]heptane-tertiary)

C7H10(827)

[CH]1CCC2C[C]2C1

94.15

828.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.32	89.22	26.27	41.42	68.73	80.51
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C6-3) + radical(bicyclo[4.1.0]heptane-tertiary)

C7H10(828)

[CH]1CC[C]2CC2C1

94.15

829.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.52	87.11	25.77	41.89	69.19	80.97
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_3_6_ane) + radical(bicyclo[4.1.0]heptane-C6-3) + radical(bicyclo[4.1.0]heptane-C6-3)

C7H10(829)

[CH]1[CH]CC2CC2C1

94.15

830.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
133.92	99.48	30.61	46.48	69.20	79.74
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane) + radical(Cds_P)

C7H10(830)

[CH]=CCCC1[CH]C1

94.15

831.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.13	99.74	28.38	45.65	72.92	84.92
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(CsJ2_singlet-CsH) + polycyclic(s2_3_6_ane)

C7H10(831)

[C]1CCCC2CC12

94.15

832.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.13	99.74	28.38	45.65	72.92	84.92
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(CsJ2_singlet-CsH) + polycyclic(s2_3_6_ane)

C7H10(832)

[C]1CCC2CC2C1

94.15

833.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
125.70	93.79	29.75	47.04	70.34	82.33
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Isobutyl) + radical(Cds_P)

C7H10(833)

[CH]=CC1CCC1[CH2]

94.15

834.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
89.81	95.70	32.47	46.39	66.12	77.30
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CtCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Ct-CtCs) + group (Ct-CtH) + radical(Sec_Propargyl)

C7H9(834)

C#C[CH]CCC=C

93.15

835.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
76.71	91.04	32.86	48.09	69.98	80.07
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropene)

C7H10(835)

C=CCCC1C=C1

94.15

836.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
84.19	82.94	27.10	45.59	72.87	84.96
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s3_4_4_ane) + radical(Cs_S)

C7H11(836)

C[CH]C1C2CC1C2

95.16

837.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.00	89.98	27.36	43.95	69.45	81.57
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(cyclobutane) + radical(Allyl_T)

C7H10(837)

CC=C[C]1C[CH]C1

94.15

838.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
128.67	87.85	23.79	37.61	57.45	66.63
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Cds_P) + radical(cyclobutane)

C6H8(838)

[CH]=CC1C[CH]C1

80.13

839.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.60	96.86	28.83	44.75	69.17	80.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Cds_S) + radical(cyclobutane)

C7H10(839)

CC=[C]C1C[CH]C1

94.15

840.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.60	96.86	28.83	44.75	69.17	80.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(cyclobutane) + radical(Cds_S)

C7H10(840)

C[C]=CC1C[CH]C1

94.15

841.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
60.34	80.10	26.11	44.91	73.02	85.77
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s3_4_5_ane) + radical(bicyclo[2.1.1]hexane-C2)

C7H11(841)

CC1[CH]C2CC1C2

95.16

842.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.58	86.46	23.98	38.95	60.91	71.16
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane)

C6H9(842)

C=CC1C[CH]C1

81.14

843.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
124.00	89.16	29.71	46.96	70.76	81.80
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(CCJ2_triplet)

C7H10(843)

CC=CC1C[C]C1

94.15

844.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.86	51.86	10.47	17.06	24.86	29.42
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(cyclopropenyl-allyl)

C3H3(844)

[CH]1C=C1

39.06

845.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.01	85.97	31.03	45.39	66.46	76.53
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropene) + radical(Allyl_T)

C7H9(845)

C=CCC[C]1C=C1

93.15

846.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.35	68.18	18.64	25.82	36.28	42.50
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(Isobutyl)

C4H5(846)

[CH2]C1C=C1

53.08

847.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
123.06	95.48	31.35	45.14	65.76	74.87
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropene) + radical(Cs_S)

C7H9(847)

C=CC[CH]C1C=C1

93.15

848.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.42	77.30	23.92	33.99	48.78	55.87
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(RCCJ)

C5H7(848)

[CH2]CC1C=C1

67.11

849.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
109.87	89.83	32.01	46.77	67.03	76.38
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(Allyl_P)

C7H9(849)

[CH2]C=CCC1C=C1

93.15

850.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
131.31	92.85	32.46	46.23	66.13	75.29
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropene) + radical (cyclopropenyl-vinyl)

C7H9(850)

C=CCCC1[C]=C1

93.15

851.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
133.61	92.85	32.46	46.23	66.13	75.29
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropene) + radical(Cds_S)

C7H9(851)

C=[C]CCC1C=C1

93.15

852.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
135.81	92.43	32.70	46.72	66.58	75.54
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropene) + radical(Cds_P)

C7H9(852)

[CH]=CCCC1C=C1

93.15

853.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.22	103.33	29.97	44.37	68.03	78.78
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Tertalkyl) + radical(cyclopropane)

C7H10(853)

C=CCC[C]1[CH]C1

94.15

854.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
141.90	101.04	32.97	46.82	68.55	79.45
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(RCCJ) + radical(RCCJCC)

C7H10(854)

[CH2]C[CH]CC1C=C1

94.15

855.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
141.90	100.58	33.22	47.62	69.22	79.06
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(Cs_S) + radical(RCCJ)

C7H10(855)

[CH2]CC[CH]C1C=C1

94.15

856.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
139.25	102.29	32.38	46.20	68.25	79.17
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(RCCJC) + radical(Cs_S)

C7H10(856)

C[CH]C[CH]C1C=C1

94.15

857.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.85	91.07	33.03	47.76	70.09	80.75
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(Allyl_T) + radical(RCCJ)

C7H10(857)

[CH2]CCC[C]1C=C1

94.15

858.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
124.20	92.79	32.08	46.34	69.21	80.74
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(RCCJC) + radical(Allyl_T)

C7H10(858)

C[CH]CC[C]1C=C1

94.15

859.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
150.15	97.95	34.40	48.71	69.53	79.58
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(cyclopropenyl-vinyl) + radical(RCCJ)

C7H10(859)

[CH2]CCCC1[C]=C1

94.15

860.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
131.72	99.90	30.44	45.91	68.88	79.48
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cds_S) + radical(cyclopropane)

C7H10(860)

C=[C]CCC1[CH]C1

94.15

861.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
147.50	99.66	33.58	47.21	68.70	79.64
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(cyclopropenyl-vinyl) + radical(RCCJC)

C7H10(861)

C[CH]CCC1[C]=C1

94.15

862.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
123.53	113.84	32.06	48.60	72.22	83.18
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(CsJ2_singlet-CsH) + ring(Cyclopropane)

C7H10(862)

C=CCCC1[C]C1

94.15

863.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
149.16	112.99	35.44	50.35	72.34	82.93
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclopropene)

C7H10(863)

C[C]CCC1C=C1

94.15

864.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
154.43	94.18	34.76	49.17	69.92	79.59
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclopropene)

C7H10(864)

[CH]CCCC1C=C1

94.15

865.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
46.67	92.03	31.50	47.64	70.05	81.57
Thermo group additivity estimation: group(Cs-CtCsCsH) + group(Cs-CsHHH) + group (Cs-CsHHH) + group(Cds-CdsCtH) + group(Cds-CdsHH) + group(Ct-CtCs) + group(Ct-Ct (Cds-Cds))

C7H10(865)

C=CC#CC(C)C

94.15

866.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.37	92.34	33.51	48.73	70.50	80.54
Thermo group additivity estimation: group(Cs-(Cds-Cdd-Cd)CsCsH) + group(Cs- CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd- CdsCds) + group(Cdd-CdsCds)

C7H10(866)

C=C=C=CC(C)C

94.15

867.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
21.02	69.01	16.52	23.97	37.57	44.34
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsHHH) + group (Cs-CsHHH) + radical(CCJC)

C3H7(867)

C[CH]C

43.09

868.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
85.93	86.50	27.87	40.45	58.67	68.67
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CJC=C) + radical(C=CC=CCJ)

C6H8(868)

[CH2]C=[C]C=CC

80.13

869.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
77.48	94.05	34.00	48.96	71.29	82.90
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ) + radical(C=CJC=C)

C7H10(869)

[CH2]C=[C]C=C(C)C

94.15

870.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.94	100.83	32.16	47.03	69.03	82.61
Thermo group additivity estimation: group(Cs-CtCsCsH) + group(Cs-CtCsHH) + group (Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct-CtCs) + radical(RCCJ) + radical(Sec_Propargyl)

C7H10(870)

[CH2][CH]C#CC(C)C

94.15

871.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
90.06	96.83	32.67	47.63	69.62	81.97
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CtCsHH) + group (Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CtHHH) + group(Ct-CtCs) + group(Ct-CtCs) + radical(Sec_Propargyl) + radical(Propargyl)

C7H10(871)

[CH2]C#C[CH]C(C)C

94.15

872.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.89	97.11	34.85	51.70	76.97	88.83
Thermo group additivity estimation: group(Cs-(Cds-Cdd-Cd)CsCsH) + group(Cs- CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cdd-CdsCds) + radical(AllylJ2_triplet)

C7H10(872)

[CH]C=C=CC(C)C

94.15

873.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
61.95	87.27	31.36	49.16	73.86	85.74
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Methylene_cyclopropane) + radical(Allyl_S)

C7H11(873)

CC(C)C=C1[CH]C1

95.16

874.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.40	82.13	24.91	35.81	52.17	59.92
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(CdCdJ2_triplet)

C5H8(874)

[C]=CC(C)C

68.12

875.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
52.77	95.16	33.46	49.25	72.94	87.30
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CtCsHH) + group (Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CtHHH) + group(Ct-CtCs) + group(Ct-CtCs) + radical(Sec_Propargyl)

C7H11(875)

CC#C[CH]C(C)C

95.16

876.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
52.95	96.04	32.93	48.92	72.74	87.27
Thermo group additivity estimation: group(Cs-CtCsCsH) + group(Cs-CtCsHH) + group (Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct-CtCs) + radical(Sec_Propargyl)

C7H11(876)

C[CH]C#CC(C)C

95.16

877.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
49.59	93.42	35.74	51.02	73.68	85.42
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + radical(C=CJC=C)

C7H11(877)

CC=[C]C=C(C)C

95.16

878.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
78.88	90.11	31.06	48.64	73.29	85.17
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-vinyl)

C7H11(878)

CC(C)C1[C]=CC1

95.16

879.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.35	85.28	29.51	42.49	61.14	72.24
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CtCsHH) + group (Cs-CsHHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct-CtH) + radical(Sec_Propargyl)

C6H9(879)

C#C[CH]C(C)C

81.14

880.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.78	68.69	19.28	26.97	37.20	43.20
Thermo group additivity estimation: group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(C=CJC=C)

C4H5(880)

C=[C]C=C

53.08

881.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.09	83.02	23.66	33.76	48.72	55.72
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(RCCJ)

C5H7(881)

[CH2]CC=C=C

67.11

882.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.28	98.57	32.20	46.00	66.08	75.15
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group (Cds-CdsHH) + group(Cdd-CdsCds) + radical(Cds_S)

C7H9(882)

C=[C]CCC=C=C

93.15

883.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.56	98.28	30.82	44.96	65.70	76.27
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CtCsHH) + group(Cs-CtHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Ct-CtCs) + group (Ct-CtCs) + radical(Propargyl)

C7H9(883)

[CH2]C#CCCC=C

93.15

884.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.48	98.15	32.45	46.49	66.52	75.40
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group (Cds-CdsHH) + group(Cdd-CdsCds) + radical(Cds_P)

C7H9(884)

[CH]=CCCC=C=C

93.15

885.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
129.04	102.42	33.37	47.67	68.96	78.94
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Cds_S)

C7H10(885)

C=[C]CCC[C]=C

94.15

886.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.40	103.38	32.82	47.32	69.36	80.47
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CtHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(RCCJ) + radical(Propargyl)

C7H10(886)

[CH2]C#CCCC[CH2]

94.15

887.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.75	105.10	31.90	45.90	68.44	80.49
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CtHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(Propargyl) + radical(RCCJC)

C7H10(887)

[CH2]C#CCC[CH]C

94.15

888.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.10	102.97	33.09	47.19	68.53	78.72
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Cds_S)

C7H10(888)

C=[C]CCC=[C]C

94.15

889.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.65	100.80	34.47	48.75	69.74	81.51
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(RCCJ) + radical(Sec_Propargyl)

C7H10(889)

C#C[CH]CCC[CH2]

94.15

890.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
128.30	102.55	33.31	47.67	69.01	78.92
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Cds_P)

C7H10(890)

[CH]=CCCC=[C]C

94.15

891.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.00	102.52	33.60	47.29	68.90	81.54
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(Sec_Propargyl) + radical(RCCJC)

C7H10(891)

C#C[CH]CC[CH]C

94.15

892.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.83	118.71	35.17	50.12	72.29	82.77
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(CsJ2_singlet-CsH) + group(Cdd-CdsCds)

C7H10(892)

C=C=CCC[C]C

94.15

893.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
132.10	99.90	34.49	48.94	69.88	79.43
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + group(CsJ2_singlet-CsH)

C7H10(893)

[CH]CCCC=C=C

94.15

894.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.18	100.80	33.10	47.56	69.21	78.79
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsHH) + group(CsJ2_singlet-CsH)

C7H10(894)

[CH]C=CCCC=C

94.15

895.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.47	82.96	27.23	45.27	71.89	82.14
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsCs) + group(Cds-CdsHH) + ring(Cyclohexanone) + radical(cyclohexane) + radical(Allyl_S)

C7H10(895)

C=C1[CH]CC[CH]C1

94.15

896.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
78.45	80.90	25.06	40.45	65.41	76.39
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_4_5_ene_1) + radical(Tertalkyl)

C7H9(896)

C1=CC2CC[C]2C1

93.15

897.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
65.35	71.97	24.09	41.21	66.59	78.32
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_4_5_ene_1) + radical(Allyl_T)

C7H9(897)

C1=C[C]2CCC2C1

93.15

898.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
78.85	80.17	24.57	40.93	65.89	76.84
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_4_5_ene_1) + radical(cyclobutane)

C7H9(898)

[CH]1CC2C=CCC12

93.15

899.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
78.85	80.17	24.57	40.93	65.89	76.84
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_4_5_ene_1) + radical(cyclobutane)

C7H9(899)

[CH]1CC2CC=CC12

93.15

900.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.65	77.47	25.55	42.01	66.29	77.09
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_4_5_ene_1) + radical(cyclopentene- vinyl)

C7H9(900)

[C]1=CCC2CCC12

93.15

901.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.65	77.47	25.55	42.01	66.29	77.09
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_4_5_ene_1) + radical(cyclopentene- vinyl)

C7H9(901)

[C]1=CC2CCC2C1

93.15

902.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
107.33	85.82	25.46	41.04	68.69	80.61
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane- tertiary) + radical(bicyclo[3.2.0]heptane-C5-3)

C7H10(902)

[CH]1C[C]2CCC2C1

94.15

903.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.73	85.82	25.46	41.04	68.69	80.61
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane- tertiary) + radical(bicyclo[3.2.0]heptane-C5-2)

C7H10(903)

[CH]1CC[C]2CCC12

94.15

904.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.73	85.82	25.46	41.04	68.69	80.61
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + polycyclic(s2_4_5_ane) + radical(bicyclo[3.2.0]heptane-C5-2) + radical(bicyclo[3.2.0]heptane-tertiary)

C7H10(904)

[CH]1CCC2CC[C]12

94.15

905.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
92.60	91.69	28.82	45.95	69.54	82.68
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(Isobutyl) + radical(Isobutyl)

C7H10(905)

[CH2]C1C=CCC1[CH2]

94.15

906.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
112.03	96.34	27.58	45.28	72.87	85.02
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(CsJ2_singlet-CsH) + polycyclic(s2_4_5_ane)

C7H10(906)

[C]1CCC2CCC12

94.15

907.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
112.03	94.96	27.58	45.28	72.87	85.02
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(CsJ2_singlet-CsH) + polycyclic(s2_4_5_ane)

C7H10(907)

[C]1CC2CCC2C1

94.15

908.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
32.50	65.50	18.23	30.03	45.39	52.67
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + ring(Cyclopentadiene)

C5H6(908)

C1C=CCC=1

66.10

909.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.14	90.49	28.82	41.06	57.96	66.86
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group (Cds-CdsHH) + radical(RCCJ) + radical(C=CJC=C)

C6H8(909)

[CH2]CC=C[C]=C

80.13

910.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.44	71.99	19.32	27.38	39.96	46.04
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(AllylJ2_triplet)

C4H4(910)

[CH]C=C=C

52.07

911.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
64.72	87.73	31.97	49.64	74.14	85.86
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsCs) + group(Cds-CdsHH) + ring(Methylene_cyclopropane) + radical(Allyl_S)

C7H11(911)

C=C1[CH]C1CCC

95.16

913.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
145.95	55.63	9.39	11.49	15.20	17.12
Thermo group additivity estimation: group(Cds-CdsHH) + group(Cds-CdsHH) + radical(CdCdJ2_triplet)

C2H2(913)

[C]=C

26.04

912.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
54.06	84.42	25.84	37.81	55.77	64.40
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P)

C5H9(912)

[CH]=CCCC

69.12

914.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.58	103.35	33.41	48.42	72.40	83.85
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(RCCJCC)

C7H11(914)

C=C=CC[CH]CC

95.16

915.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
57.41	99.97	33.61	49.19	73.09	85.12
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CtHHH) + group(Ct-CtCs) + group(Ct- CtCs) + radical(Propargyl)

C7H11(915)

[CH2]C#CCCCC

95.16

916.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.58	103.58	33.65	48.80	72.68	84.15
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(RCCJC)

C7H11(916)

C=C=CCC[CH]C

95.16

917.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.23	101.86	34.61	50.23	73.54	84.17
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(RCCJ)

C7H11(917)

[CH2]CCCC=C=C

95.16

918.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.66	97.39	35.27	50.60	73.53	86.14
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(Sec_Propargyl)

C7H11(918)

C#C[CH]CCCC

95.16

919.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.24	100.86	34.51	50.39	73.47	85.28
Thermo group additivity estimation: group(Cs-(Cds-Cdd-Cd)CsCsH) + group(Cs- CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cdd-CdsCds) + radical(Isobutyl)

C7H11(919)

[CH2]C(C=C=C)CC

95.16

920.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
76.83	77.48	22.51	32.52	47.75	55.25
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsHHH) + group(Cs-CsHHH) + radical(CCJ2_triplet)

C4H8(920)

[CH]CCC

56.11

921.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
42.95	91.39	28.72	46.58	72.80	84.79
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(Cs_S)

C7H11(921)

C[CH]C1CC=CC1

95.16

922.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
32.88	72.02	20.08	29.54	43.86	50.88
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Allyl_P)

C4H7(922)

[CH2]C=CC

55.10

923.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
76.64	91.34	28.27	41.24	60.48	69.41
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P)

C6H9(923)

[CH]=CCC=CC

81.14

924.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
65.29	95.34	30.34	47.95	72.70	84.33
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Cs_S)

C7H11(924)

C=CC1CC1[CH]C

95.16

925.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.41	93.20	29.17	47.25	73.38	85.64
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(cyclobutane)

C7H11(925)

C=CC1C[CH]C1C

95.16

926.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.53	100.04	34.44	49.52	72.60	84.49
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Isobutyl)

C7H11(926)

[CH2]C(C=C)C=CC

95.16

927.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.11	84.38	24.95	35.95	52.52	60.32
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(CCJ2_triplet)

C5H8(927)

[CH]CC=CC

68.12

928.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.62	90.24	32.93	49.01	70.54	80.64
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCtH) + group(Ct-Ct(Cds-Cds)) + group(Ct-CtH)

C7H10(928)

C#CC=CC(C)C

94.15

929.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
85.52	90.12	32.96	48.61	70.60	82.47
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Allyl_T) + radical(C=CJC=C)

C7H10(929)

C=[C]C=C[C](C)C

94.15

930.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.12	95.62	34.44	49.38	70.35	81.22
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + radical(Cds_S) + radical(C=CJC=C)

C7H10(930)

C=[C]C=[C]C(C)C

94.15

931.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
92.38	93.24	33.06	48.55	70.51	81.69
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(Allyl_S) + radical(C=C=CJ)

C7H10(931)

[CH]=C=C[CH]C(C)C

94.15

932.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.48	85.04	31.70	49.71	74.24	86.13
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsCs) + group(Cds-CdsHH) + ring(Methylene_cyclopropane) + radical(Allyl_S)

C7H11(932)

C=C1[CH]C1C(C)C

95.16

933.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
52.07	81.73	25.56	37.93	55.81	64.69
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P)

C5H9(933)

[CH]=CC(C)C

69.12

934.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
43.96	90.12	34.39	49.33	70.46	80.26
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- Cds)H) + group(Cds-CdsHH) + group(Cdd-CdsCds)

C7H10(934)

C=C=CC=C(C)C

94.15

935.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
66.39	99.63	34.12	48.96	72.26	83.72
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(Tertalkyl)

C7H11(935)

C=C=CC[C](C)C

95.16

936.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
55.17	97.28	33.32	49.29	73.10	85.42
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CtCsHH) + group (Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CtHHH) + group(Ct-CtCs) + group(Ct-CtCs) + radical(Propargyl)

C7H11(936)

[CH2]C#CCC(C)C

95.16

937.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
70.99	100.86	34.51	50.34	73.51	85.27
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(Isobutyl)

C7H11(937)

[CH2]C(C)CC=C=C

95.16

938.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
58.22	94.70	34.97	50.72	73.52	86.45
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct-CtH) + radical(Sec_Propargyl)

C7H11(938)

C#C[CH]CC(C)C

95.16

939.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
78.88	90.11	31.06	48.64	73.29	85.17
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-vinyl)

C7H11(939)

CC(C)C1C=[C]C1

95.16

940.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
68.59	101.58	33.60	49.26	73.13	83.82
Thermo group additivity estimation: group(Cs-(Cds-Cdd-Cd)CsCsH) + group(Cs- CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cdd-CdsCds) + radical(Cs_S)

C7H11(940)

C=C=CC(C)[CH]C

95.16

941.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.59	74.79	22.24	32.59	47.82	55.52
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsHHH) + group (Cs-CsHHH) + group(Cs-CsHHH) + radical(CCJ2_triplet)

C4H8(941)

[CH]C(C)C

56.11

942.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
59.44	88.62	32.34	48.46	67.97	78.19
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds- Cds)Cs) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(C=CC=CCJ)

C7H9(942)

[CH2]C(C=C)=CC=C

93.15

943.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.60	97.45	33.10	46.57	66.09	76.23
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- CdsHH) + group(Cdd-CdsCds) + radical(Isobutyl)

C7H9(943)

[CH2]C(C=C)C=C=C

93.15

944.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
58.03	93.67	32.01	48.49	71.58	83.68
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ) + radical(C=CC=CCJ)

C7H10(944)

[CH2]C=CC(C)=C[CH2]

94.15

945.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.42	101.85	34.08	47.69	68.63	79.80
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Isobutyl)

C7H10(945)

[CH2]C(C=C)C=[C]C

94.15

946.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.52	97.75	34.07	48.67	70.02	80.07
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Allyl_P)

C7H10(946)

[CH2]C=[C]C(C)C=C

94.15

947.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.52	97.75	34.07	48.67	70.02	80.07
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Allyl_P)

C7H10(947)

[CH2]C=CC(C)[C]=C

94.15

948.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.42	101.85	34.08	47.69	68.63	79.80
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Isobutyl)

C7H10(948)

[CH2]C([C]=CC)C=C

94.15

949.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
103.52	97.75	34.07	48.67	70.02	80.07
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) + radical(Cds_S)

C7H10(949)

[CH2][C]=CC(C)C=C

94.15

950.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
66.23	92.66	33.26	49.63	71.60	82.69
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + radical(Allyl_P) + radical(C=CC=CCJ)

C7H10(950)

[CH2]C=C([CH2])C=CC

94.15

951.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.72	97.33	34.31	49.16	70.48	80.31
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P) + radical(Allyl_P)

C7H10(951)

[CH]=CC(C)C=C[CH2]

94.15

952.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
116.42	101.85	34.08	47.69	68.63	79.80
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Isobutyl)

C7H10(952)

[CH2]C([C]=C)C=CC

94.15

953.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.62	101.43	34.24	48.23	69.02	80.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_P) + radical(Isobutyl)

C7H10(953)

[CH]=CC([CH2])C=CC

94.15

954.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
121.83	100.50	29.94	46.08	68.92	80.73
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(cyclopropane) + radical(Isobutyl)

C7H10(954)

[CH2]C(C=C)C1[CH]C1

94.15

955.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
111.40	96.91	28.59	45.41	69.59	81.83
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Isobutyl) + radical(cyclobutane)

C7H10(955)

[CH2]C1[CH]C(C=C)C1

94.15

956.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
36.07	88.51	31.29	47.10	69.87	80.85
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds- Cds)(Cds-Cds)) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH)

C7H10(956)

C=CC(=C)C=CC

94.15

957.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
52.60	93.73	33.70	48.38	69.99	80.00
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- CdsHH) + group(Cdd-CdsCds)

C7H10(957)

C=C=CC(C)C=C

94.15

958.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.49	92.84	29.06	40.45	57.10	66.01
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- CdsHH) + radical(Isobutyl) + radical(Cds_P)

C6H8(958)

[CH]=CC([CH2])C=C

80.13

959.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
114.69	95.64	30.44	47.28	69.47	82.22
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Isobutyl) + radical(Isobutyl)

C7H10(959)

[CH2]C1C([CH2])C1C=C

94.15

960.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
99.12	98.50	35.08	51.32	76.50	88.34
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(AllylJ2_triplet)

C7H10(960)

[CH]C=CC(C)C=C

94.15

961.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
31.54	87.99	34.17	50.40	70.54	80.65
Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds- Cds)Cs) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds (Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH)

C7H10(961)

C=CC=C(C)C=C

94.15

962.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.81	103.63	32.90	47.12	68.73	78.66
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(RCCJ) + radical(Cs_S)

C7H10(962)

[CH2][CH]C(C=C)C=C

94.15

963.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
77.45	94.80	32.30	49.40	73.23	85.76
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group (Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Methylene_cyclopropane) + radical(Isobutyl)

C7H11(963)

[CH2]C1CC1=CCC

95.16

964.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
51.53	96.12	30.94	46.09	68.74	80.67
Thermo group additivity estimation: group(Cs-CtCsHH) + group(Cs-(Cds-Cds)CtHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Ct-CtCs) + group (Ct-CtCs)

C7H10(964)

C=CCC#CCC

94.15

965.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
34.09	79.61	24.43	35.66	52.41	60.39
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds)

C5H8(965)

C=C=CCC

68.12

966.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
65.84	75.94	22.05	31.43	44.77	51.42
Thermo group additivity estimation: group(Cs-(Cds-Cds)CtHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Ct-CtCs) + group(Ct-CtH)

C5H6(966)

C#CCC=C

66.10

967.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
110.53	91.38	27.51	39.88	57.54	65.72
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) + radical(Cds_S)

C6H8(967)

[CH2]C=[C]CC=C

80.13

968.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
141.40	84.56	22.70	31.63	44.62	50.67
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cds_P) + radical(Cds_S)

C5H6(968)

[CH]=[C]CC=C

66.10

969.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
85.01	83.63	24.83	35.92	52.52	60.44
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + radical(Cds_S) + radical(Allyl_P)

C5H8(969)

[CH2][C]=CCC

68.12

970.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
126.57	103.37	32.79	47.12	68.71	78.74
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group (Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S) + radical(Cds_S)

C7H10(970)

C=CC[C]=[C]CC

94.15

971.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
62.77	94.27	30.98	47.75	70.21	24.28
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsCs) + group(Cds-CdsCsH) + ring(methylenecyclobutane) + radical(Cs_S)

C7H11(971)

CCC=C1C[CH]C1

95.16

972.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.44	91.76	28.12	40.67	60.18	69.15
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs -(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cds_S)

C6H9(972)

C=CC[C]=CC

81.14

973.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
41.45	93.24	34.98	52.14	74.59	85.54
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group (Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(Allyl_P)

C7H11(973)

[CH2]C(C=C)=CCC

95.16

974.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
133.32	75.40	19.72	27.47	39.73	45.42
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(CdCdJ2_triplet)

C4H6(974)

[C]=CCC

54.09

975.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
76.93	82.00	28.68	45.62	66.99	77.24
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds )(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclobutene) + radical(Allyl_S)

C7H9(975)

C[CH]C=C1C=CC1

93.15

976.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
87.24	82.93	28.55	43.95	66.25	76.49
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical (cyclobutene-allyl)

C7H9(976)

CC=CC1[CH]C=C1

93.15

977.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
115.11	79.55	24.68	36.99	53.90	61.84
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclobutene) + radical(Cds_P)

C6H7(977)

[CH]=CC1C=CC1

79.12

978.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.04	88.55	29.73	44.12	65.66	75.53
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Cds_S)

C7H9(978)

CC=[C]C1C=CC1

93.15

979.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.54	88.55	29.73	44.12	65.66	75.53
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical (cyclobutene-vinyl)

C7H9(979)

CC=CC1[C]=CC1

93.15

980.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
108.54	88.55	29.73	44.12	65.66	75.53
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical (cyclobutene-vinyl)

C7H9(980)

CC=CC1C=[C]C1

93.15

981.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.04	88.55	29.73	44.12	65.66	75.53
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs -(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Cds_S)

C7H9(981)

C[C]=CC1C=CC1

93.15

982.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.50	99.56	27.84	43.67	68.79	80.07
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(cyclobutane) + radical(cyclobutane)

C7H10(982)

CC=CC1[CH]C[CH]1

94.15

983.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
83.41	83.59	29.61	46.35	68.40	21.63
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsCs) + group(Cds-CdsCsH) + ring(methylenecyclobutane) + radical(Allyl_S) + radical(Allyl_S)

C7H10(983)

C[CH]C=C1[CH]CC1

94.15

984.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
106.16	91.61	28.63	45.43	69.62	80.58
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(Cs_S) + radical (cyclobutene-allyl)

C7H10(984)

CC[CH]C1[CH]C=C1

94.15

985.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.60	96.86	28.83	44.75	69.17	80.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Cds_S) + radical(cyclobutane)

C7H10(985)

CC=[C]C1[CH]CC1

94.15

986.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.46	97.23	29.80	45.61	69.00	79.64
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-vinyl) + radical(Cs_S)

C7H10(986)

CC[CH]C1[C]=CC1

94.15

987.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
127.46	97.23	29.80	45.61	69.00	79.64
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutene) + radical(cyclobutene-vinyl) + radical(Cs_S)

C7H10(987)

CC[CH]C1C=[C]C1

94.15

988.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.60	96.86	28.83	44.75	69.17	80.33
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Cds_S) + radical(cyclobutane)

C7H10(988)

C[C]=CC1[CH]CC1

94.15

989.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
122.90	110.87	31.98	48.18	72.38	83.39
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclobutene)

C7H10(989)

CC[C]C1C=CC1

94.15

990.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.09	110.42	30.82	47.34	72.52	83.87
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclobutane)

C7H10(990)

CC=CC1[C]CC1

94.15

991.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
119.51	109.42	30.45	47.43	72.52	84.02
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds- CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclobutane)

C7H10(991)

CC=CC1C[C]C1

94.15

992.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.63	84.61	24.76	41.94	68.82	80.73
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + polycyclic(s3_4_5_ane) + radical(bicyclo[2.1.1]hexane-C2) + radical(bicyclo[2.1.1]hexane-C5)

C7H10(992)

CC1[CH]C2[CH]C1C2

94.15

993.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
48.37	72.39	22.73	35.09	54.29	62.26
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(Aromatic_pi_S_1_3)

C6H7(993)

[CH]1C=CC=CC1

79.12

994.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
39.92	81.32	28.83	43.66	66.83	76.52
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(Aromatic_pi_S_1_3)

C7H9(994)

CC1=CC=C[CH]C1

93.15

995.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
41.45	80.50	27.93	43.44	66.74	76.76
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(Aromatic_pi_S_1_3)

C7H9(995)

CC1[CH]C=CC=C1

93.15

996.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.98	80.83	27.54	43.80	66.29	76.96
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(Cds_S)

C7H9(996)

CC1[C]=CC=CC1

93.15

997.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
74.98	80.83	27.54	43.80	66.29	76.96
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(Cds_S)

C7H9(997)

CC1C=CC=[C]C1

93.15

998.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
65.78	79.73	28.02	44.30	67.08	78.55
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(C=CJC=C)

C7H9(998)

CC1C=[C]C=CC1

93.15

999.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
65.78	79.73	28.02	44.30	67.08	78.55
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(1,3-Cyclohexadiene) + radical(C=CJC=C)

C7H9(999)

CC1C=C[C]=CC1

93.15

1000.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.04	88.58	27.75	44.64	69.90	81.31
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical(Cs_S)

S(1000)

CC1[CH]C[C]=CC1

94.15

1001.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.29	89.04	27.49	43.79	69.43	81.58
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical(RCCJCC)

S(1001)

CC1[C]=CC[CH]C1

94.15

1002.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
95.04	88.58	27.75	44.64	69.90	81.31
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Cds_S) + radical(Cs_S)

S(1002)

CC1[CH]CC=[C]C1

94.15

1003.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
69.69	83.54	26.02	42.99	69.72	82.82
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Allyl_T) + radical(RCCJCC)

S(1003)

C[C]1C=CC[CH]C1

94.15

1004.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
82.54	92.01	27.26	43.08	69.05	80.60
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclohexene) + radical(Tertalkyl) + radical(Cs_S)

S(1004)

C[C]1[CH]CC=CC1

94.15

1005.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
131.45	101.65	33.54	48.78	69.85	79.71
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds- Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- CdsHH) + group(Cds-CdsHH) + radical(Cds_P) + radical(Cds_P)

S(1005)

[CH]=CCC(C)C=[CH]

94.15

1006.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.14	99.13	29.37	47.78	76.23	87.61
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclohexane)

S(1006)

CC1[C]CC=CC1

94.15

1007.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.39	99.13	29.36	47.82	76.20	87.62
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsCsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclohexane)

S(1007)

CC1C=CC[C]C1

94.15

1008.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.14	99.13	29.37	47.78	76.23	87.61
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclohexane)

S(1008)

CC1C[C]C=CC1

94.15

1009.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
93.39	99.13	29.36	47.82	76.20	87.62
Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(CsJ2_singlet-CsH) + ring(Cyclohexane)

S(1009)

CC1C=C[C]CC1

94.15

1010.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
22.83	77.71	27.73	44.93	69.84	81.37
Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_4_4_ene_1)

S(1010)

CC1CC2C=CC12

94.15

1011.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.11	102.74	34.03	48.61	72.01	84.75
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(RCCJCC)

S(1011)

C#CC[CH]CCC

95.16

1012.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.11	102.74	34.03	48.61	72.01	84.75
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(RCCJCC)

S(1012)

C#CCC[CH]CC

95.16

1013.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
105.36	99.95	35.26	50.19	72.98	85.69
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(Acetyl)

S(1013)

[C]#CCCCCC

95.16

1014.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
73.76	101.25	35.11	50.43	73.22	84.96
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(RCCJ)

S(1014)

C#CCCCC[CH2]

95.16

1015.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.51	81.96	23.58	32.20	45.08	53.04
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CtCsHH) + group (Cs-CsHHH) + group(Ct-CtCs) + group(Ct-CtH) + radical(RCCJ) + radical(Sec_Propargyl)

C5H6(1015)

C#C[CH]C[CH2]

66.10

1016.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
113.58	91.38	29.00	40.53	57.33	67.31
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct-CtH) + radical(RCCJ) + radical(Sec_Propargyl)

C6H8(1016)

C#C[CH]CC[CH2]

80.13

1017.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
140.25	99.50	34.63	48.49	69.57	82.21
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CtCsHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct- CtH) + radical(Sec_Propargyl) + radical(Acetyl)

S(1017)

[C]#C[CH]CCCC

94.15

1018.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
101.16	94.53	35.19	50.55	73.36	84.19
Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs- CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopropene) + radical(cyclopropenyl-vinyl)

S(1018)

CCCCC1[C]=C1

95.16

1019.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.50	100.25	35.03	50.54	73.17	86.10
Thermo group additivity estimation: group(Cs-CtCsCsH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Ct-CtCs) + group(Ct-CtH) + radical(Isobutyl)

S(1019)

C#CC([CH2])CCC

95.16

1021.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
120.51	62.42	13.23	16.38	20.99	24.81
Thermo group additivity estimation: group(Cds-CdsHH) + group(Cds-CdsHH) + group (Cdd-CdsCds) + radical(C=C=CJ) + radical(C=C=CJ)

C3H2(1021)

[CH]=C=[CH]

38.05

1020.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
18.74	78.71	22.56	33.29	50.44	58.93
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsHHH) + group(Cs-CsHHH) + radical(RCCJ)

C4H9(1020)

[CH2]CCC

57.11

1023.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
71.90	86.90	27.99	40.74	60.18	69.45
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group (Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + radical(CCJ2_triplet)

S(1023)

[CH]CCCC

70.13

1022.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
134.46	51.51	10.00	10.76	11.99	13.74
Thermo group additivity estimation: group(Ct-CtH) + group(Ct-CtH) + radical(Acetyl)

C2H(1022)

[C]#C

25.03

1024.

H298	S298	Cp300	Cp500	Cp1000	Cp1500
118.02	101.55	34.45	48.75	69.67	80.51
Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cdd-CdsCds) + radical(C=C=CJ) + radical(Cds_S)

S(1024)

[CH]=C=[C]CCCC

94.15

Reactions (3062)

Reaction Filter:

Reaction List:

Index

Reaction

Family

21.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.4	+7.3	+7.2	+7.2

Arrhenius(A=(2.052e+14,'cm^3/(mol*s)','*|/',2), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -55.22
S298 (cal/mol*K) = -22.77
G298 (kcal/mol) = -48.44

! Template reaction: Disproportionation ! Flux pairs: C7H9(24), C7H10(1); C7H11(22), C7H10(1); ! Estimated using template [C_rad/H/NonDeC;C/H2/Nd_Csrad] for rate rule [C_rad/H/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H11(22)+C7H9(24)=C7H10(1)+C7H10(1) 2.052000e+14 -0.350 0.000

22.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+7.1	+7.0	+6.9	+6.9

Arrhenius(A=(1.026e+14,'cm^3/(mol*s)','*|/',2), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] Euclidian distance = 3.0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -68.07
S298 (cal/mol*K) = -32.86
G298 (kcal/mol) = -58.28

! Template reaction: Disproportionation ! Estimated using template [C_rad/H/NonDeC;Cpri_Rrad] for rate rule [C_rad/H/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(24)+C7H11(40)=C7H10(1)+C7H10(1) 1.026000e+14 -0.350 0.000

25.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -65.77
S298 (cal/mol*K) = -21.06
G298 (kcal/mol) = -59.50

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/NonDeC;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H11(22)+C7H9(26)=C7H10(1)+C7H10(1) 4.840000e+12 0.000 0.000

26.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+06,'m^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] Euclidian distance = 3.60555127546 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -78.62
S298 (cal/mol*K) = -31.14
G298 (kcal/mol) = -69.34

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeC;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(26)+C7H11(40)=C7H10(1)+C7H10(1) 2.420000e+12 0.000 0.000

27.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.7	+6.7	+6.7	+6.7

Arrhenius(A=(4.84e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 2.2360679775 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = -56.57
S298 (cal/mol*K) = -19.96
G298 (kcal/mol) = -50.63

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Csrad] for rate rule [Cd_rad/OneDe;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 2.2360679775 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation C7H11(22)+C7H9(27)=C7H10(1)+C7H10(1) 4.840000e+12 0.000 0.000

28.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+6.4	+6.4	+6.4	+6.4

Arrhenius(A=(2.42e+06,'m^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] Euclidian distance = 3.60555127546 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = -69.42
S298 (cal/mol*K) = -30.04
G298 (kcal/mol) = -60.47

! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/OneDe;C/H2/Cd_Csrad] ! Euclidian distance = 3.60555127546 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C7H9(27)+C7H11(40)=C7H10(1)+C7H10(1) 2.420000e+12 0.000 0.000

31.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.1	+2.5	+3.6	+4.3

Arrhenius(A=(2.75906e-08,'m^3/(mol*s)'), n=3.80154, Ea=(26.4597,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [X_H;C_rad/H/NonDeC] for rate rule [Orad_O_H;C_rad/H/NonDeC] Euclidian distance = 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -46.78
S298 (cal/mol*K) = -10.62
G298 (kcal/mol) = -43.61

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H9(24), C7H10(1); ! Estimated using template [X_H;C_rad/H/NonDeC] for rate rule [Orad_O_H;C_rad/H/NonDeC] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H9(24)+HO2(43)=C7H10(1)+O2(2) 2.759059e-02 3.802 6.324

32.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-5.1	+0.8	+3.1	+4.4

Arrhenius(A=(1.13791e-07,'m^3/(mol*s)'), n=4.12615, Ea=(88.7725,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [X_H;C_rad/H/CdCs] for rate rule [Orad_O_H;C_rad/H/CdCs] Euclidian distance = 2.0 Multiplied by reaction path degeneracy 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -26.29
S298 (cal/mol*K) = -21.53
G298 (kcal/mol) = -19.87

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H9(5), C7H10(1); ! Estimated using template [X_H;C_rad/H/CdCs] for rate rule [Orad_O_H;C_rad/H/CdCs] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C7H9(5)+HO2(43)=C7H10(1)+O2(2) 1.137908e-01 4.126 21.217

33.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.2	+4.6	+5.4	+5.9

Arrhenius(A=(6.08097e-08,'m^3/(mol*s)'), n=4.00063, Ea=(3.70173,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [X_H;Cd_rad/NonDeC] for rate rule [Orad_O_H;Cd_rad/NonDeC] Euclidian distance = 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -57.33
S298 (cal/mol*K) = -8.90
G298 (kcal/mol) = -54.67

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H9(26), C7H10(1); ! Estimated using template [X_H;Cd_rad/NonDeC] for rate rule [Orad_O_H;Cd_rad/NonDeC] ! Euclidian distance = 2.0 ! family: H_Abstraction HO2(43)+C7H9(26)=C7H10(1)+O2(2) 6.080974e-02 4.001 0.885

34.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-1.0	+2.5	+4.0	+4.9

Arrhenius(A=(2.54727e-08,'m^3/(mol*s)'), n=4.12615, Ea=(43.1886,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [X_H;Cd_rad/Cd] for rate rule [Orad_O_H;Cd_rad/Cd] Euclidian distance = 2.0 family: H_Abstraction""")

H298 (kcal/mol) = -48.13
S298 (cal/mol*K) = -7.80
G298 (kcal/mol) = -45.80

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H9(27), C7H10(1); ! Estimated using template [X_H;Cd_rad/Cd] for rate rule [Orad_O_H;Cd_rad/Cd] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H9(27)+HO2(43)=C7H10(1)+O2(2) 2.547266e-02 4.126 10.322

35.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.4	-7.2	-1.5	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-27.2	-6.6	-0.8	+1.7

Chebyshev(coeffs=[[-26.7116,0.914601,-0.26456,0.0197725],[28.8424,0.5864,0.0131368,-0.0702603],[-0.877708,0.157179,0.0496971,-0.0149477],[-0.359276,-0.00342277,0.0274659,0.00796554],[-0.132047,-0.004109,0.00518992,0.00530117],[-0.0618083,0.0178025,-0.000122659,-0.00073566]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.45
S298 (cal/mol*K) = 32.32
G298 (kcal/mol) = 88.82

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H9(24); C7H10(1), H(25); C7H10(1)(+M)=>C7H9(24)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.671e+01 9.146e-01 -2.646e-01 1.977e-02 / CHEB/ 2.884e+01 5.864e-01 1.314e-02 -7.026e-02 / CHEB/ -8.777e-01 1.572e-01 4.970e-02 -1.495e-02 / CHEB/ -3.593e-01 -3.423e-03 2.747e-02 7.966e-03 / CHEB/ -1.320e-01 -4.109e-03 5.190e-03 5.301e-03 / CHEB/ -6.181e-02 1.780e-02 -1.227e-04 -7.357e-04 /

36.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.9	-10.7	-4.1	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-32.6	-10.0	-3.3	-0.3

Chebyshev(coeffs=[[-32.0988,1.16301,-0.280991,-0.0104925],[31.9611,0.503459,0.0762495,-0.0571092],[-0.820984,0.086931,0.0475611,0.00254848],[-0.273847,-0.0112017,0.0141262,0.0102575],[-0.0774261,0.012173,0.0047332,0.00179349],[-0.0467062,0.0208135,0.00428577,-0.00122673]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 30.61
G298 (kcal/mol) = 99.88

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), H(25); C7H10(1), C7H9(26); C7H10(1)(+M)=>H(25)+C7H9(26)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.210e+01 1.163e+00 -2.810e-01 -1.049e-02 / CHEB/ 3.196e+01 5.035e-01 7.625e-02 -5.711e-02 / CHEB/ -8.210e-01 8.693e-02 4.756e-02 2.548e-03 / CHEB/ -2.738e-01 -1.120e-02 1.413e-02 1.026e-02 / CHEB/ -7.743e-02 1.217e-02 4.733e-03 1.793e-03 / CHEB/ -4.671e-02 2.081e-02 4.286e-03 -1.227e-03 /

37.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.9	-7.1	-1.2	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-27.8	-6.6	-0.5	+2.2

Chebyshev(coeffs=[[-27.1666,0.952662,-0.268794,0.0158625],[29.6778,0.581116,0.0239225,-0.0703459],[-0.812308,0.147409,0.0509854,-0.0122374],[-0.329223,-0.00642574,0.0253787,0.00892823],[-0.115335,-0.00290176,0.00456912,0.0049279],[-0.0551702,0.0180405,0.000551177,-0.000895422]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.80
S298 (cal/mol*K) = 29.51
G298 (kcal/mol) = 91.01

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), H(25); C7H10(1), C7H9(27); C7H10(1)(+M)=>H(25)+C7H9(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.717e+01 9.527e-01 -2.688e-01 1.586e-02 / CHEB/ 2.968e+01 5.811e-01 2.392e-02 -7.035e-02 / CHEB/ -8.123e-01 1.474e-01 5.099e-02 -1.224e-02 / CHEB/ -3.292e-01 -6.426e-03 2.538e-02 8.928e-03 / CHEB/ -1.153e-01 -2.902e-03 4.569e-03 4.928e-03 / CHEB/ -5.517e-02 1.804e-02 5.512e-04 -8.954e-04 /

38.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	+2.3	+6.0	+7.3
log₁₀(k(10 bar)/[mole,m,s])	-10.9	+2.4	+6.2	+7.7

Chebyshev(coeffs=[[-10.3141,0.335359,-0.123668,0.0254055],[18.4096,0.428632,-0.112375,-0.00321826],[-0.544094,0.194254,-0.0173094,-0.0182069],[-0.230414,0.0457858,0.0245706,-0.0137317],[-0.127986,0.0010872,0.0216598,-0.00420131],[-0.0881322,0.0080867,0.00578431,0.000242432]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 55.22
S298 (cal/mol*K) = 24.15
G298 (kcal/mol) = 48.03

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(28); C7H10(1)(+M)=>C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.031e+01 3.354e-01 -1.237e-01 2.541e-02 / CHEB/ 1.841e+01 4.286e-01 -1.124e-01 -3.218e-03 / CHEB/ -5.441e-01 1.943e-01 -1.731e-02 -1.821e-02 / CHEB/ -2.304e-01 4.579e-02 2.457e-02 -1.373e-02 / CHEB/ -1.280e-01 1.087e-03 2.166e-02 -4.201e-03 / CHEB/ -8.813e-02 8.087e-03 5.784e-03 2.424e-04 /

39.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.6	+0.2	+5.0	+6.9
log₁₀(k(10 bar)/[mole,m,s])	-17.6	+0.5	+5.6	+7.5

Chebyshev(coeffs=[[-16.9437,0.662423,-0.223406,0.0369996],[25.0135,0.549071,-0.0522803,-0.0517074],[-0.784482,0.192099,0.0292071,-0.0262057],[-0.35374,0.0230112,0.0347184,-0.00190285],[-0.170454,-0.0027447,0.0128782,0.00478657],[-0.0914345,0.0155223,-0.00101566,0.000998672]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.62
S298 (cal/mol*K) = 29.77
G298 (kcal/mol) = 69.75

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(29); C7H10(1)(+M)=>C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.694e+01 6.624e-01 -2.234e-01 3.700e-02 / CHEB/ 2.501e+01 5.491e-01 -5.228e-02 -5.171e-02 / CHEB/ -7.845e-01 1.921e-01 2.921e-02 -2.621e-02 / CHEB/ -3.537e-01 2.301e-02 3.472e-02 -1.903e-03 / CHEB/ -1.705e-01 -2.745e-03 1.288e-02 4.787e-03 / CHEB/ -9.143e-02 1.552e-02 -1.016e-03 9.987e-04 /

40.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.8	-3.1	+2.4	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-22.7	-2.7	+3.0	+5.4

Chebyshev(coeffs=[[-22.1279,0.835611,-0.256149,0.0273492],[27.9699,0.575609,-0.00705095,-0.0669269],[-0.857586,0.176687,0.0439389,-0.0202102],[-0.353555,0.00812358,0.0305868,0.00479353],[-0.142195,-0.00533348,0.00750511,0.00568042],[-0.0699176,0.0160467,-0.000912069,-9.38522e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.62
S298 (cal/mol*K) = 29.77
G298 (kcal/mol) = 69.75

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(30); C7H10(1)(+M)=>C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.213e+01 8.356e-01 -2.561e-01 2.735e-02 / CHEB/ 2.797e+01 5.756e-01 -7.051e-03 -6.693e-02 / CHEB/ -8.576e-01 1.767e-01 4.394e-02 -2.021e-02 / CHEB/ -3.536e-01 8.124e-03 3.059e-02 4.794e-03 / CHEB/ -1.422e-01 -5.333e-03 7.505e-03 5.680e-03 / CHEB/ -6.992e-02 1.605e-02 -9.121e-04 -9.385e-05 /

41.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.7	+1.2	+5.2	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-13.7	+1.3	+5.5	+7.1

Chebyshev(coeffs=[[-13.1082,0.451942,-0.163973,0.0339539],[20.7369,0.484509,-0.0976174,-0.0207609],[-0.683435,0.192386,0.00349508,-0.0240233],[-0.304947,0.0332396,0.0331803,-0.00988078],[-0.164219,-0.00149915,0.0199074,0.000522604],[-0.10253,0.0124989,0.00229621,0.00154433]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 68.07
S298 (cal/mol*K) = 31.48
G298 (kcal/mol) = 58.69

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(31); C7H10(1)(+M)=>C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.311e+01 4.519e-01 -1.640e-01 3.395e-02 / CHEB/ 2.074e+01 4.845e-01 -9.762e-02 -2.076e-02 / CHEB/ -6.834e-01 1.924e-01 3.495e-03 -2.402e-02 / CHEB/ -3.049e-01 3.324e-02 3.318e-02 -9.881e-03 / CHEB/ -1.642e-01 -1.499e-03 1.991e-02 5.226e-04 / CHEB/ -1.025e-01 1.250e-02 2.296e-03 1.544e-03 /

42.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.2	-0.5	+3.6	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-15.2	-0.4	+3.9	+5.6

Chebyshev(coeffs=[[-14.5283,0.410081,-0.150552,0.0320784],[20.482,0.462257,-0.102362,-0.0142048],[-0.550681,0.191914,-0.00334601,-0.0217742],[-0.246046,0.0365345,0.0309228,-0.010972],[-0.14094,-0.0016131,0.0211377,-0.000728815],[-0.0957606,0.0103638,0.00375355,0.0014607]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.77
S298 (cal/mol*K) = 21.06
G298 (kcal/mol) = 59.50

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(32); C7H10(1)(+M)=>C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.453e+01 4.101e-01 -1.506e-01 3.208e-02 / CHEB/ 2.048e+01 4.623e-01 -1.024e-01 -1.420e-02 / CHEB/ -5.507e-01 1.919e-01 -3.346e-03 -2.177e-02 / CHEB/ -2.460e-01 3.653e-02 3.092e-02 -1.097e-02 / CHEB/ -1.409e-01 -1.613e-03 2.114e-02 -7.288e-04 / CHEB/ -9.576e-02 1.036e-02 3.754e-03 1.461e-03 /

43.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	+2.9	+5.9	+7.2
log₁₀(k(10 bar)/[mole,m,s])	-7.7	+2.6	+5.7	+7.0

Chebyshev(coeffs=[[-6.51387,-0.738402,0.211426,0.0371312],[14.2274,0.442655,-0.205656,0.0470691],[-0.333616,0.167544,-0.0986088,0.026251],[-0.167351,0.106624,-0.0195758,-0.00923309],[-0.0669812,0.00141855,0.00585446,-0.00330934],[-0.0480886,-0.0106098,0.00485716,0.00176185]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.37
S298 (cal/mol*K) = 14.06
G298 (kcal/mol) = 38.18

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(33); C7H10(1)(+M)=>C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.514e+00 -7.384e-01 2.114e-01 3.713e-02 / CHEB/ 1.423e+01 4.427e-01 -2.057e-01 4.707e-02 / CHEB/ -3.336e-01 1.675e-01 -9.861e-02 2.625e-02 / CHEB/ -1.674e-01 1.066e-01 -1.958e-02 -9.233e-03 / CHEB/ -6.698e-02 1.419e-03 5.854e-03 -3.309e-03 / CHEB/ -4.809e-02 -1.061e-02 4.857e-03 1.762e-03 /

44.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.0	-1.6	+2.7	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-17.0	-1.4	+3.1	+4.8

Chebyshev(coeffs=[[-16.3075,0.465145,-0.169194,0.0353194],[21.5734,0.483847,-0.0933251,-0.0232489],[-0.609213,0.191973,0.00499278,-0.0241183],[-0.272287,0.0330777,0.0331784,-0.00926496],[-0.151831,-0.00151064,0.0195912,0.000893326],[-0.0986342,0.012486,0.0021901,0.00157949]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.77
S298 (cal/mol*K) = 19.68
G298 (kcal/mol) = 59.91

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(34); C7H10(1)(+M)=>C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.631e+01 4.651e-01 -1.692e-01 3.532e-02 / CHEB/ 2.157e+01 4.838e-01 -9.333e-02 -2.325e-02 / CHEB/ -6.092e-01 1.920e-01 4.993e-03 -2.412e-02 / CHEB/ -2.723e-01 3.308e-02 3.318e-02 -9.265e-03 / CHEB/ -1.518e-01 -1.511e-03 1.959e-02 8.933e-04 / CHEB/ -9.863e-02 1.249e-02 2.190e-03 1.579e-03 /

45.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.5	+0.1	+4.3	+5.8
log₁₀(k(10 bar)/[mole,m,s])	-15.5	+0.3	+4.7	+6.3

Chebyshev(coeffs=[[-14.8944,0.509442,-0.182356,0.0365508],[21.8241,0.504803,-0.086707,-0.0299975],[-0.746313,0.192211,0.0116891,-0.0256562],[-0.331912,0.0300489,0.0347074,-0.00776527],[-0.174005,-0.00149912,0.0180872,0.00211003],[-0.103953,0.0140629,0.000955911,0.00158633]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 68.07
S298 (cal/mol*K) = 32.86
G298 (kcal/mol) = 58.28

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(35); C7H10(1)(+M)=>C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.489e+01 5.094e-01 -1.824e-01 3.655e-02 / CHEB/ 2.182e+01 5.048e-01 -8.671e-02 -3.000e-02 / CHEB/ -7.463e-01 1.922e-01 1.169e-02 -2.566e-02 / CHEB/ -3.319e-01 3.005e-02 3.471e-02 -7.765e-03 / CHEB/ -1.740e-01 -1.499e-03 1.809e-02 2.110e-03 / CHEB/ -1.040e-01 1.406e-02 9.559e-04 1.586e-03 /

46.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.6	-3.8	+2.9	+5.9
log₁₀(k(10 bar)/[mole,m,s])	-26.1	-3.1	+3.7	+6.8

Chebyshev(coeffs=[[-25.789,1.29163,-0.277418,-0.0291821],[32.8803,0.411862,0.0946573,-0.0383794],[-0.901964,0.0649865,0.0389546,0.00693794],[-0.264061,-0.000696311,0.0107958,0.00791598],[-0.0652033,0.0197399,0.00729222,0.00080217],[-0.0455633,0.0178204,0.00560939,-0.00036276]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 110.55
S298 (cal/mol*K) = 45.24
G298 (kcal/mol) = 97.07

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(36); C7H10(1)(+M)=>C7H10(36)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.579e+01 1.292e+00 -2.774e-01 -2.918e-02 / CHEB/ 3.288e+01 4.119e-01 9.466e-02 -3.838e-02 / CHEB/ -9.020e-01 6.499e-02 3.895e-02 6.938e-03 / CHEB/ -2.641e-01 -6.963e-04 1.080e-02 7.916e-03 / CHEB/ -6.520e-02 1.974e-02 7.292e-03 8.022e-04 / CHEB/ -4.556e-02 1.782e-02 5.609e-03 -3.628e-04 /

47.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.3	-1.4	+4.2	+6.4
log₁₀(k(10 bar)/[mole,m,s])	-21.1	-0.9	+4.9	+7.2

Chebyshev(coeffs=[[-20.5604,0.868254,-0.25841,0.0240643],[28.2464,0.59008,-6.67831e-05,-0.0691588],[-0.848411,0.168083,0.0473926,-0.0180471],[-0.36535,0.000999272,0.0296837,0.00652544],[-0.142074,-0.00533705,0.00621826,0.00567963],[-0.0658013,0.0169873,-0.000703703,-0.000416679]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 93.72
S298 (cal/mol*K) = 44.25
G298 (kcal/mol) = 80.54

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(37); C7H10(1)(+M)=>C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.056e+01 8.683e-01 -2.584e-01 2.406e-02 / CHEB/ 2.825e+01 5.901e-01 -6.678e-05 -6.916e-02 / CHEB/ -8.484e-01 1.681e-01 4.739e-02 -1.805e-02 / CHEB/ -3.654e-01 9.993e-04 2.968e-02 6.525e-03 / CHEB/ -1.421e-01 -5.337e-03 6.218e-03 5.680e-03 / CHEB/ -6.580e-02 1.699e-02 -7.037e-04 -4.167e-04 /

49.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	+2.0	+6.9	+8.8
log₁₀(k(10 bar)/[mole,m,s])	-15.9	+2.3	+7.4	+9.5

Chebyshev(coeffs=[[-15.1635,0.645582,-0.220472,0.0378616],[25.0951,0.538855,-0.0548705,-0.0496783],[-0.722224,0.192466,0.0268915,-0.02626],[-0.323361,0.0249391,0.0345854,-0.0026649],[-0.161163,-0.00215446,0.0135436,0.00447113],[-0.0906317,0.0153898,-0.000786164,0.00107784]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.81
S298 (cal/mol*K) = 43.24
G298 (kcal/mol) = 65.92

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(39); C7H10(1)(+M)=>C7H10(39)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.516e+01 6.456e-01 -2.205e-01 3.786e-02 / CHEB/ 2.510e+01 5.389e-01 -5.487e-02 -4.968e-02 / CHEB/ -7.222e-01 1.925e-01 2.689e-02 -2.626e-02 / CHEB/ -3.234e-01 2.494e-02 3.459e-02 -2.665e-03 / CHEB/ -1.612e-01 -2.154e-03 1.354e-02 4.471e-03 / CHEB/ -9.063e-02 1.539e-02 -7.862e-04 1.078e-03 /

260.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.8	-7.9	-2.0	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-29.4	-8.3	-2.1	+0.8

Chebyshev(coeffs=[[-28.4777,-0.386934,-0.543044,0.0670114],[30.0379,0.7713,0.00809132,-0.09049],[-0.985317,0.142811,0.0715398,-0.012741],[-0.349418,0.0464847,0.0197738,0.00417708],[-0.0724445,0.0766732,-0.00547458,-0.00472975],[-0.027299,0.0661003,-0.00277743,-0.00673773]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 101.47
S298 (cal/mol*K) = 41.39
G298 (kcal/mol) = 89.13

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), H(25); C7H10(1), C7H9(44); C7H10(1)(+M)=>H(25)+C7H9(44)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.848e+01 -3.869e-01 -5.430e-01 6.701e-02 / CHEB/ 3.004e+01 7.713e-01 8.091e-03 -9.049e-02 / CHEB/ -9.853e-01 1.428e-01 7.154e-02 -1.274e-02 / CHEB/ -3.494e-01 4.648e-02 1.977e-02 4.177e-03 / CHEB/ -7.244e-02 7.667e-02 -5.475e-03 -4.730e-03 / CHEB/ -2.730e-02 6.610e-02 -2.777e-03 -6.738e-03 /

261.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.0	-11.4	-4.4	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-35.1	-11.4	-4.2	-0.8

Chebyshev(coeffs=[[-34.5698,0.29234,-0.571631,-0.0212533],[34.3159,0.50115,0.0988911,-0.0422062],[-1.03802,0.0783087,0.0546064,0.00735999],[-0.278604,0.0893113,0.0187715,-0.00294632],[-0.0366005,0.110967,0.0139698,-0.0102598],[-0.0315824,0.0615537,0.00930715,-0.00510142]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 116.52
S298 (cal/mol*K) = 49.52
G298 (kcal/mol) = 101.76

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), H(25); C7H10(1), C7H9(45); C7H10(1)(+M)=>H(25)+C7H9(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.457e+01 2.923e-01 -5.716e-01 -2.125e-02 / CHEB/ 3.432e+01 5.012e-01 9.889e-02 -4.221e-02 / CHEB/ -1.038e+00 7.831e-02 5.461e-02 7.360e-03 / CHEB/ -2.786e-01 8.931e-02 1.877e-02 -2.946e-03 / CHEB/ -3.660e-02 1.110e-01 1.397e-02 -1.026e-02 / CHEB/ -3.158e-02 6.155e-02 9.307e-03 -5.101e-03 /

262.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.2	-11.0	-4.3	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-34.4	-11.1	-4.1	-0.8

Chebyshev(coeffs=[[-33.7702,0.194285,-0.578609,-0.0077291],[33.5518,0.559581,0.0979244,-0.0532167],[-1.05264,0.0805067,0.0571642,0.00685189],[-0.295098,0.0798994,0.0165003,-0.00160466],[-0.042924,0.108411,0.0110589,-0.0103843],[-0.0307523,0.0636959,0.00856146,-0.00563504]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 114.47
S298 (cal/mol*K) = 48.60
G298 (kcal/mol) = 99.98

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), H(25); C7H10(1), C7H9(46); C7H10(1)(+M)=>H(25)+C7H9(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.377e+01 1.943e-01 -5.786e-01 -7.729e-03 / CHEB/ 3.355e+01 5.596e-01 9.792e-02 -5.322e-02 / CHEB/ -1.053e+00 8.051e-02 5.716e-02 6.852e-03 / CHEB/ -2.951e-01 7.990e-02 1.650e-02 -1.605e-03 / CHEB/ -4.292e-02 1.084e-01 1.106e-02 -1.038e-02 / CHEB/ -3.075e-02 6.370e-02 8.561e-03 -5.635e-03 /

263.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-43.4	-16.4	-8.2	-4.5
log₁₀(k(10 bar)/[mole,m,s])	-43.1	-16.2	-7.8	-3.8

Chebyshev(coeffs=[[-42.4396,0.822828,-0.475706,-0.0692527],[38.8918,0.282481,0.0653685,-0.0177862],[-0.943274,0.0713963,0.0490159,0.0108199],[-0.228776,0.115434,0.0377448,-0.000524244],[-0.0347027,0.106802,0.0276808,-0.00543584],[-0.0452377,0.0481759,0.0121803,-0.00255717]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 130.57
S298 (cal/mol*K) = 46.89
G298 (kcal/mol) = 116.59

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), H(25); C7H10(1), C7H9(47); C7H10(1)(+M)=>H(25)+C7H9(47)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.244e+01 8.228e-01 -4.757e-01 -6.925e-02 / CHEB/ 3.889e+01 2.825e-01 6.537e-02 -1.779e-02 / CHEB/ -9.433e-01 7.140e-02 4.902e-02 1.082e-02 / CHEB/ -2.288e-01 1.154e-01 3.774e-02 -5.242e-04 / CHEB/ -3.470e-02 1.068e-01 2.768e-02 -5.436e-03 / CHEB/ -4.524e-02 4.818e-02 1.218e-02 -2.557e-03 /

264.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.9	-5.2	-0.1	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-24.8	-5.8	-0.4	+2.0

Chebyshev(coeffs=[[-23.6384,-0.774134,-0.460662,0.0929335],[26.6669,0.798137,-0.0812119,-0.0730735],[-0.961277,0.198002,0.0571535,-0.0317031],[-0.388071,0.0485372,0.0291807,0.000216539],[-0.114447,0.055154,-0.00525765,0.00153187],[-0.0442339,0.0567683,-0.00935871,-0.00356032]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.94
S298 (cal/mol*K) = 29.48
G298 (kcal/mol) = 75.15

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(48); C7H10(1)(+M)=>C7H10(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.364e+01 -7.741e-01 -4.607e-01 9.293e-02 / CHEB/ 2.667e+01 7.981e-01 -8.121e-02 -7.307e-02 / CHEB/ -9.613e-01 1.980e-01 5.715e-02 -3.170e-02 / CHEB/ -3.881e-01 4.854e-02 2.918e-02 2.165e-04 / CHEB/ -1.144e-01 5.515e-02 -5.258e-03 1.532e-03 / CHEB/ -4.423e-02 5.677e-02 -9.359e-03 -3.560e-03 /

265.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.7	-7.1	-1.3	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-28.4	-7.5	-1.4	+1.4

Chebyshev(coeffs=[[-27.392,-0.444913,-0.532874,0.0725371],[29.5856,0.784118,-0.00546486,-0.0904512],[-0.975409,0.152045,0.0708871,-0.0158166],[-0.357228,0.0448021,0.0214506,0.00418067],[-0.0794766,0.0730628,-0.00612978,-0.00373114],[-0.0287893,0.0653781,-0.00409194,-0.00648362]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.94
S298 (cal/mol*K) = 29.48
G298 (kcal/mol) = 75.15

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(49); C7H10(1)(+M)=>C7H10(49)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.739e+01 -4.449e-01 -5.329e-01 7.254e-02 / CHEB/ 2.959e+01 7.841e-01 -5.465e-03 -9.045e-02 / CHEB/ -9.754e-01 1.520e-01 7.089e-02 -1.582e-02 / CHEB/ -3.572e-01 4.480e-02 2.145e-02 4.181e-03 / CHEB/ -7.948e-02 7.306e-02 -6.130e-03 -3.731e-03 / CHEB/ -2.879e-02 6.538e-02 -4.092e-03 -6.484e-03 /

266.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.7	-6.2	-0.6	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-26.5	-6.7	-0.8	+1.8

Chebyshev(coeffs=[[-25.3958,-0.609212,-0.497259,0.084658],[27.9979,0.819324,-0.0463842,-0.0859273],[-0.89402,0.181714,0.0667525,-0.0249217],[-0.256017,0.0428512,0.0269242,0.00326239],[-0.0974149,0.0629493,-0.0062876,-0.000751293],[-0.104715,0.0634001,-0.00734302,-0.00549585]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.24
S298 (cal/mol*K) = 28.75
G298 (kcal/mol) = 70.67

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(50); C7H10(1)(+M)=>C7H10(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.540e+01 -6.092e-01 -4.973e-01 8.466e-02 / CHEB/ 2.800e+01 8.193e-01 -4.638e-02 -8.593e-02 / CHEB/ -8.940e-01 1.817e-01 6.675e-02 -2.492e-02 / CHEB/ -2.560e-01 4.285e-02 2.692e-02 3.262e-03 / CHEB/ -9.741e-02 6.295e-02 -6.288e-03 -7.513e-04 / CHEB/ -1.047e-01 6.340e-02 -7.343e-03 -5.496e-03 /

267.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.9	-4.7	+0.1	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-22.9	-5.3	-0.3	+1.8

Chebyshev(coeffs=[[-21.5618,-1.03189,-0.381686,0.0912486],[24.4236,0.786025,-0.141262,-0.0435326],[-0.825342,0.227818,0.0343086,-0.0374523],[-0.352416,0.0506351,0.0337215,-0.00547502],[-0.118356,0.0426932,0.000332693,0.00359708],[-0.0549815,0.0492557,-0.00975824,-0.00099721]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.24
S298 (cal/mol*K) = 28.75
G298 (kcal/mol) = 70.67

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(51); C7H10(1)(+M)=>C7H10(51)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.156e+01 -1.032e+00 -3.817e-01 9.125e-02 / CHEB/ 2.442e+01 7.860e-01 -1.413e-01 -4.353e-02 / CHEB/ -8.253e-01 2.278e-01 3.431e-02 -3.745e-02 / CHEB/ -3.524e-01 5.064e-02 3.372e-02 -5.475e-03 / CHEB/ -1.184e-01 4.269e-02 3.327e-04 3.597e-03 / CHEB/ -5.498e-02 4.926e-02 -9.758e-03 -9.972e-04 /

268.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.6	-5.1	-0.3	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-23.6	-5.7	-0.6	+1.5

Chebyshev(coeffs=[[-22.2479,-0.988378,-0.395844,0.0924534],[24.8425,0.792903,-0.132473,-0.0491845],[-0.83457,0.222462,0.0393762,-0.0371841],[-0.359792,0.049205,0.0336114,-0.00440358],[-0.120118,0.045043,-0.00098337,0.00346694],[-0.0533523,0.0511045,-0.0101025,-0.001426]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.84
S298 (cal/mol*K) = 28.75
G298 (kcal/mol) = 72.27

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(52); C7H10(1)(+M)=>C7H10(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.225e+01 -9.884e-01 -3.958e-01 9.245e-02 / CHEB/ 2.484e+01 7.929e-01 -1.325e-01 -4.918e-02 / CHEB/ -8.346e-01 2.225e-01 3.938e-02 -3.718e-02 / CHEB/ -3.598e-01 4.921e-02 3.361e-02 -4.404e-03 / CHEB/ -1.201e-01 4.504e-02 -9.834e-04 3.467e-03 / CHEB/ -5.335e-02 5.110e-02 -1.010e-02 -1.426e-03 /

269.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.3	-1.4	+3.5	+5.5
log₁₀(k(10 bar)/[mole,m,s])	-20.2	-2.0	+3.1	+5.4

Chebyshev(coeffs=[[-18.8986,-0.952299,-0.407199,0.093128],[25.3095,0.797165,-0.124466,-0.0538498],[-0.819777,0.219381,0.0426842,-0.0366171],[-0.358366,0.0490771,0.0329468,-0.00345295],[-0.117044,0.0461199,-0.00161609,0.00322743],[-0.049411,0.0514363,-0.00978624,-0.00186844]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.50
S298 (cal/mol*K) = 38.36
G298 (kcal/mol) = 71.07

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(53); C7H10(1)(+M)=>C7H10(53)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.890e+01 -9.523e-01 -4.072e-01 9.313e-02 / CHEB/ 2.531e+01 7.972e-01 -1.245e-01 -5.385e-02 / CHEB/ -8.198e-01 2.194e-01 4.268e-02 -3.662e-02 / CHEB/ -3.584e-01 4.908e-02 3.295e-02 -3.453e-03 / CHEB/ -1.170e-01 4.612e-02 -1.616e-03 3.227e-03 / CHEB/ -4.941e-02 5.144e-02 -9.786e-03 -1.868e-03 /

270.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.0	-5.0	+0.6	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-25.8	-5.4	+0.5	+3.2

Chebyshev(coeffs=[[-24.6735,-0.564832,-0.505504,0.0816783],[28.6838,0.822048,-0.035626,-0.0882395],[-0.902158,0.179757,0.0691838,-0.023115],[-0.369262,0.0481987,0.0254563,0.00332393],[-0.0858313,0.0660136,-0.00590017,-0.00143641],[-0.0212115,0.0616381,-0.00564035,-0.00547415]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 93.83
S298 (cal/mol*K) = 39.09
G298 (kcal/mol) = 82.19

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(54); C7H10(1)(+M)=>C7H10(54)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.467e+01 -5.648e-01 -5.055e-01 8.168e-02 / CHEB/ 2.868e+01 8.220e-01 -3.563e-02 -8.824e-02 / CHEB/ -9.022e-01 1.798e-01 6.918e-02 -2.311e-02 / CHEB/ -3.693e-01 4.820e-02 2.546e-02 3.324e-03 / CHEB/ -8.583e-02 6.601e-02 -5.900e-03 -1.436e-03 / CHEB/ -2.121e-02 6.164e-02 -5.640e-03 -5.474e-03 /

271.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.5	-2.9	+2.3	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-22.4	-3.4	+2.0	+4.4

Chebyshev(coeffs=[[-21.0889,-0.833659,-0.439606,0.0924546],[26.4437,0.822048,-0.0997903,-0.06749],[-0.820401,0.213071,0.0538394,-0.0346089],[-0.375905,0.0504142,0.0315856,-0.000968034],[-0.109517,0.0523721,-0.00373914,0.00232523],[-0.0318064,0.0547859,-0.00916997,-0.00301683]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 85.92
S298 (cal/mol*K) = 34.25
G298 (kcal/mol) = 75.72

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(55); C7H10(1)(+M)=>C7H10(55)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.109e+01 -8.337e-01 -4.396e-01 9.245e-02 / CHEB/ 2.644e+01 8.220e-01 -9.979e-02 -6.749e-02 / CHEB/ -8.204e-01 2.131e-01 5.384e-02 -3.461e-02 / CHEB/ -3.759e-01 5.041e-02 3.159e-02 -9.680e-04 / CHEB/ -1.095e-01 5.237e-02 -3.739e-03 2.325e-03 / CHEB/ -3.181e-02 5.479e-02 -9.170e-03 -3.017e-03 /

272.

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PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.6	-6.4	+0.2	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-29.0	-6.5	+0.3	+3.5

Chebyshev(coeffs=[[-28.2207,-0.0312668,-0.577311,0.0242236],[32.2521,0.687534,0.0762274,-0.0773168],[-0.954815,0.0958133,0.0666439,0.00303536],[-0.241874,0.0605931,0.0148917,0.00203529],[-0.0456924,0.099719,0.00404433,-0.00952467],[-0.0615145,0.0692541,0.0058935,-0.00698337]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 89.14
S298 (cal/mol*K) = 39.99
G298 (kcal/mol) = 77.23

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(56); C7H10(1)(+M)=>C7H10(56)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.822e+01 -3.127e-02 -5.773e-01 2.422e-02 / CHEB/ 3.225e+01 6.875e-01 7.623e-02 -7.732e-02 / CHEB/ -9.548e-01 9.581e-02 6.664e-02 3.035e-03 / CHEB/ -2.419e-01 6.059e-02 1.489e-02 2.035e-03 / CHEB/ -4.569e-02 9.972e-02 4.044e-03 -9.525e-03 / CHEB/ -6.151e-02 6.925e-02 5.894e-03 -6.983e-03 /

273.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.2	+4.5	+3.8	+3.2
log₁₀(k(10 bar)/[mole,m,s])	+6.2	+5.5	+4.7	+4.1

Chebyshev(coeffs=[[10.6174,1.82136,-0.0168146,-0.0321156],[-0.546067,-0.0731895,0.052161,0.0158394],[-0.589688,0.000840153,0.0212641,0.0173123],[-0.172204,0.00370279,-0.0114799,0.00528692],[-0.0446672,0.00926627,-0.0140409,0.00124068],[-0.0387458,0.0133446,-0.00686691,0.000940517]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -77.96
S298 (cal/mol*K) = -43.23
G298 (kcal/mol) = -65.08

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(1); H(25), C7H10(1); C7H9(5)+H(25)(+M)=>C7H10(1)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.062e+01 1.821e+00 -1.681e-02 -3.212e-02 / CHEB/ -5.461e-01 -7.319e-02 5.216e-02 1.584e-02 / CHEB/ -5.897e-01 8.402e-04 2.126e-02 1.731e-02 / CHEB/ -1.722e-01 3.703e-03 -1.148e-02 5.287e-03 / CHEB/ -4.467e-02 9.266e-03 -1.404e-02 1.241e-03 / CHEB/ -3.875e-02 1.334e-02 -6.867e-03 9.405e-04 /

274.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.0	+4.1	+3.3	+2.5
log₁₀(k(10 bar)/[mole,m,s])	+3.9	+4.0	+3.4	+2.8

Chebyshev(coeffs=[[9.36325,0.164084,-0.172223,0.0222812],[0.0377427,0.221811,-0.0421479,0.0202003],[-0.583166,0.106292,0.00964347,-0.00439281],[-0.317746,0.0894979,-0.0219752,-0.00851994],[-0.154956,0.0886715,-0.0251629,-0.00732753],[-0.0749087,0.062569,-0.00932562,-0.00605993]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.89
S298 (cal/mol*K) = -26.95
G298 (kcal/mol) = -51.86

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(21); H(25), C7H10(21); C7H9(5)+H(25)(+M)=>C7H10(21)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.363e+00 1.641e-01 -1.722e-01 2.228e-02 / CHEB/ 3.774e-02 2.218e-01 -4.215e-02 2.020e-02 / CHEB/ -5.832e-01 1.063e-01 9.643e-03 -4.393e-03 / CHEB/ -3.177e-01 8.950e-02 -2.198e-02 -8.520e-03 / CHEB/ -1.550e-01 8.867e-02 -2.516e-02 -7.328e-03 / CHEB/ -7.491e-02 6.257e-02 -9.326e-03 -6.060e-03 /

275.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.6	+6.4	+6.5	+6.2
log₁₀(k(10 bar)/[mole,m,s])	+6.3	+6.8	+7.0	+6.9

Chebyshev(coeffs=[[11.7619,1.29797,-0.00270385,-0.0516447],[0.595609,-0.15505,-0.10587,0.0821796],[-0.0904394,0.147521,-0.0907592,-0.0149027],[-0.0990545,0.136504,-0.0206578,-0.0387475],[-0.103301,0.0823081,0.0216897,-0.0103659],[-0.0505653,0.0289759,0.0167786,0.00311261]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.38
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -18.21

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(18); H(25), C7H10(18); C7H9(5)+H(25)(+M)=>C7H10(18)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.176e+01 1.298e+00 -2.704e-03 -5.164e-02 / CHEB/ 5.956e-01 -1.550e-01 -1.059e-01 8.218e-02 / CHEB/ -9.044e-02 1.475e-01 -9.076e-02 -1.490e-02 / CHEB/ -9.905e-02 1.365e-01 -2.066e-02 -3.875e-02 / CHEB/ -1.033e-01 8.231e-02 2.169e-02 -1.037e-02 / CHEB/ -5.057e-02 2.898e-02 1.678e-02 3.113e-03 /

276.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.3	+5.9	+6.3	+5.7
log₁₀(k(10 bar)/[mole,m,s])	+2.9	+5.1	+5.9	+5.7

Chebyshev(coeffs=[[10.0267,-0.80571,0.00996845,-0.0393907],[1.89879,0.0854895,-0.231341,0.0903838],[0.20718,0.455944,-0.123676,-0.0286738],[-0.234249,0.321022,0.0236262,-0.0370443],[-0.228318,0.117819,0.072399,-0.000768671],[-0.143125,0.00278094,0.0345778,0.0117246]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.88
S298 (cal/mol*K) = -5.45
G298 (kcal/mol) = -60.26

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(146); H(25), C7H10(146); C7H9(5)+H(25)(+M)=>C7H10(146)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.003e+01 -8.057e-01 9.968e-03 -3.939e-02 / CHEB/ 1.899e+00 8.549e-02 -2.313e-01 9.038e-02 / CHEB/ 2.072e-01 4.559e-01 -1.237e-01 -2.867e-02 / CHEB/ -2.342e-01 3.210e-01 2.363e-02 -3.704e-02 / CHEB/ -2.283e-01 1.178e-01 7.240e-02 -7.687e-04 / CHEB/ -1.431e-01 2.781e-03 3.458e-02 1.172e-02 /

277.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+7.4	+7.6	+7.4	+7.1
log₁₀(k(10 bar)/[mole,m,s])	+7.3	+7.7	+7.6	+7.5

Chebyshev(coeffs=[[13.0979,0.165251,-0.18623,-0.0312048],[0.119974,0.518293,-0.0471013,0.0244913],[-0.203221,0.235298,-0.00709341,-0.00703608],[-0.116526,0.0578097,-0.00597761,-0.013273],[-0.0562161,0.0316986,0.00109289,-0.00218849],[-0.0370869,0.0327662,-0.00170154,-4.39185e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.25
S298 (cal/mol*K) = -12.07
G298 (kcal/mol) = -52.65

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(153); H(25), C7H10(153); C7H9(5)+H(25)(+M)=>C7H10(153)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.310e+01 1.653e-01 -1.862e-01 -3.120e-02 / CHEB/ 1.200e-01 5.183e-01 -4.710e-02 2.449e-02 / CHEB/ -2.032e-01 2.353e-01 -7.093e-03 -7.036e-03 / CHEB/ -1.165e-01 5.781e-02 -5.978e-03 -1.327e-02 / CHEB/ -5.622e-02 3.170e-02 1.093e-03 -2.188e-03 / CHEB/ -3.709e-02 3.277e-02 -1.702e-03 -4.392e-05 /

278.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+3.2	+3.8	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-0.9	+2.4	+3.4	+3.2

Chebyshev(coeffs=[[6.57563,-0.931676,-0.0783582,-0.0760579],[2.78446,0.240855,-0.169324,0.114225],[0.401927,0.455769,-0.135113,-0.0350212],[-0.300474,0.314791,0.0236421,-0.0391488],[-0.324687,0.113908,0.0764791,0.00177043],[-0.184233,-0.00121906,0.0337655,0.0126444]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.98
S298 (cal/mol*K) = -10.27
G298 (kcal/mol) = -46.92

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(238); H(25), C7H10(238); C7H9(5)+H(25)(+M)=>C7H10(238)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.576e+00 -9.317e-01 -7.836e-02 -7.606e-02 / CHEB/ 2.784e+00 2.409e-01 -1.693e-01 1.142e-01 / CHEB/ 4.019e-01 4.558e-01 -1.351e-01 -3.502e-02 / CHEB/ -3.005e-01 3.148e-01 2.364e-02 -3.915e-02 / CHEB/ -3.247e-01 1.139e-01 7.648e-02 1.770e-03 / CHEB/ -1.842e-01 -1.219e-03 3.377e-02 1.264e-02 /

279.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.3	+5.2	+5.1	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+4.0	+5.2	+5.4	+5.2

Chebyshev(coeffs=[[10.0722,-0.166884,-0.355585,-0.0608272],[0.769883,0.875344,0.0543826,0.00458814],[-0.0448942,0.23241,0.00536464,0.00975035],[-0.161644,0.0351126,-0.0151278,-0.0112583],[-0.143151,0.0454174,0.00499197,-0.00324532],[-0.084092,0.0472879,0.00658355,0.00146216]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.30
S298 (cal/mol*K) = -16.88
G298 (kcal/mol) = -39.27

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(187); H(25), C7H10(187); C7H9(5)+H(25)(+M)=>C7H10(187)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.007e+01 -1.669e-01 -3.556e-01 -6.083e-02 / CHEB/ 7.699e-01 8.753e-01 5.438e-02 4.588e-03 / CHEB/ -4.489e-02 2.324e-01 5.365e-03 9.750e-03 / CHEB/ -1.616e-01 3.511e-02 -1.513e-02 -1.126e-02 / CHEB/ -1.432e-01 4.542e-02 4.992e-03 -3.245e-03 / CHEB/ -8.409e-02 4.729e-02 6.584e-03 1.462e-03 /

280.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.5	-2.7	-0.9	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-8.5	-2.7	-0.9	-0.2

Chebyshev(coeffs=[[-1.73292,-0.0638476,0.0113109,-0.00718861],[7.59326,0.0191333,-0.0189002,0.00745217],[0.181722,0.00919619,-0.0064403,0.00102372],[-0.108816,0.0080362,-0.00159099,-0.00158129],[-0.0704382,0.00104457,0.00136783,-0.00256673],[-0.0111453,-0.00130185,0.000698059,-0.00143848]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.49
S298 (cal/mol*K) = -10.91
G298 (kcal/mol) = 23.74

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(24); H(25), H(25); C7H9(5)+H(25)(+M)=>C7H9(24)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.733e+00 -6.385e-02 1.131e-02 -7.189e-03 / CHEB/ 7.593e+00 1.913e-02 -1.890e-02 7.452e-03 / CHEB/ 1.817e-01 9.196e-03 -6.440e-03 1.024e-03 / CHEB/ -1.088e-01 8.036e-03 -1.591e-03 -1.581e-03 / CHEB/ -7.044e-02 1.045e-03 1.368e-03 -2.567e-03 / CHEB/ -1.115e-02 -1.302e-03 6.981e-04 -1.438e-03 /

281.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.1	-6.2	-3.3	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-14.3	-6.3	-3.4	-1.9

Chebyshev(coeffs=[[-6.98391,-0.320229,0.070282,-0.00223438],[10.6589,0.131025,-0.103288,0.0205796],[0.392754,0.126817,-0.0267453,-0.0167163],[0.0428035,0.0507659,0.016134,-0.017209],[-0.00594132,-0.00595936,0.0191372,-0.00317676],[-0.00117357,-0.0187975,0.00590889,0.00464239]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.04
S298 (cal/mol*K) = -12.62
G298 (kcal/mol) = 34.80

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(26); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(26)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.984e+00 -3.202e-01 7.028e-02 -2.234e-03 / CHEB/ 1.066e+01 1.310e-01 -1.033e-01 2.058e-02 / CHEB/ 3.928e-01 1.268e-01 -2.675e-02 -1.672e-02 / CHEB/ 4.280e-02 5.077e-02 1.613e-02 -1.721e-02 / CHEB/ -5.941e-03 -5.959e-03 1.914e-02 -3.177e-03 / CHEB/ -1.174e-03 -1.880e-02 5.909e-03 4.642e-03 /

282.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	-3.4	-1.0	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-3.6	-1.1	+0.2

Chebyshev(coeffs=[[-2.73953,-0.256112,0.058632,-0.00298486],[8.39495,0.0296236,-0.06999,0.017542],[0.473118,0.119726,-0.042462,-0.00566829],[0.0369585,0.0761416,0.000588157,-0.0159498],[-0.0189272,0.0111379,0.0182341,-0.00987527],[-0.00382055,-0.0169095,0.0111326,0.000751508]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.84
S298 (cal/mol*K) = -13.72
G298 (kcal/mol) = 25.93

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(27); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.740e+00 -2.561e-01 5.863e-02 -2.985e-03 / CHEB/ 8.395e+00 2.962e-02 -6.999e-02 1.754e-02 / CHEB/ 4.731e-01 1.197e-01 -4.246e-02 -5.668e-03 / CHEB/ 3.696e-02 7.614e-02 5.882e-04 -1.595e-02 / CHEB/ -1.893e-02 1.114e-02 1.823e-02 -9.875e-03 / CHEB/ -3.821e-03 -1.691e-02 1.113e-02 7.515e-04 /

283.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.7	+3.8	+3.3	+2.4
log₁₀(k(10 bar)/[mole,m,s])	+3.7	+4.8	+4.3	+3.4

Chebyshev(coeffs=[[8.61842,1.97002,-0.00741422,-0.0080517],[0.829934,0.0012709,0.00305348,0.00503184],[-0.334782,0.00293142,0.000914477,0.00222245],[-0.3528,0.00691646,0.00174115,0.00163486],[-0.224662,0.00286353,0.00133759,5.84851e-05],[-0.103001,-0.000624483,0.000241379,-0.000440641]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.74
S298 (cal/mol*K) = -19.08
G298 (kcal/mol) = -17.05

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(28); H(25), C7H10(28); C7H9(5)+H(25)(+M)=>C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.618e+00 1.970e+00 -7.414e-03 -8.052e-03 / CHEB/ 8.299e-01 1.271e-03 3.053e-03 5.032e-03 / CHEB/ -3.348e-01 2.931e-03 9.145e-04 2.222e-03 / CHEB/ -3.528e-01 6.916e-03 1.741e-03 1.635e-03 / CHEB/ -2.247e-01 2.864e-03 1.338e-03 5.849e-05 / CHEB/ -1.030e-01 -6.245e-04 2.414e-04 -4.406e-04 /

284.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+2.6	+4.0	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+2.4	+3.8	+4.5

Chebyshev(coeffs=[[6.01396,-0.173739,0.0318712,-0.00827549],[4.12209,-0.0749855,-0.0168214,0.021472],[0.464895,0.0678858,-0.0424475,0.00246574],[0.00390263,0.0857238,-0.0238509,-0.0107482],[-0.0507455,0.0446494,0.00172187,-0.0101532],[-0.022512,0.00237551,0.0115553,-0.00458852]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.66
S298 (cal/mol*K) = -13.46
G298 (kcal/mol) = 4.68

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(29); H(25), C7H10(29); C7H9(5)+H(25)(+M)=>C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.014e+00 -1.737e-01 3.187e-02 -8.275e-03 / CHEB/ 4.122e+00 -7.499e-02 -1.682e-02 2.147e-02 / CHEB/ 4.649e-01 6.789e-02 -4.245e-02 2.466e-03 / CHEB/ 3.903e-03 8.572e-02 -2.385e-02 -1.075e-02 / CHEB/ -5.075e-02 4.465e-02 1.722e-03 -1.015e-02 / CHEB/ -2.251e-02 2.376e-03 1.156e-02 -4.589e-03 /

285.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	+0.1	+2.0	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-5.2	-0.1	+1.9	+3.0

Chebyshev(coeffs=[[1.79214,-0.223678,0.051496,-0.00270189],[6.74019,-0.0132102,-0.0529213,0.0163243],[0.423669,0.0971314,-0.0429376,-0.00267009],[0.0408569,0.0862165,-0.010693,-0.0124207],[-0.0291907,0.0272333,0.0124435,-0.0111557],[-0.0141963,-0.0115625,0.0132009,-0.00263669]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.66
S298 (cal/mol*K) = -13.46
G298 (kcal/mol) = 4.68

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(30); H(25), C7H10(30); C7H9(5)+H(25)(+M)=>C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.792e+00 -2.237e-01 5.150e-02 -2.702e-03 / CHEB/ 6.740e+00 -1.321e-02 -5.292e-02 1.632e-02 / CHEB/ 4.237e-01 9.713e-02 -4.294e-02 -2.670e-03 / CHEB/ 4.086e-02 8.622e-02 -1.069e-02 -1.242e-02 / CHEB/ -2.919e-02 2.723e-02 1.244e-02 -1.116e-02 / CHEB/ -1.420e-02 -1.156e-02 1.320e-02 -2.637e-03 /

286.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.2	+3.2	+4.0	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+2.9	+3.8	+4.2

Chebyshev(coeffs=[[7.84119,-0.301195,0.0187538,-0.030136],[2.08273,-0.0767909,-0.0579389,0.0361309],[0.349197,0.114843,-0.0626094,-0.00869636],[0.0103769,0.122958,-0.00684683,-0.0264558],[-0.0441635,0.0568521,0.0306113,-0.00792422],[-0.0342795,0.000718733,0.0225491,0.00903288]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.89
S298 (cal/mol*K) = -11.75
G298 (kcal/mol) = -6.38

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(31); H(25), C7H10(31); C7H9(5)+H(25)(+M)=>C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.841e+00 -3.012e-01 1.875e-02 -3.014e-02 / CHEB/ 2.083e+00 -7.679e-02 -5.794e-02 3.613e-02 / CHEB/ 3.492e-01 1.148e-01 -6.261e-02 -8.696e-03 / CHEB/ 1.038e-02 1.230e-01 -6.847e-03 -2.646e-02 / CHEB/ -4.416e-02 5.685e-02 3.061e-02 -7.924e-03 / CHEB/ -3.428e-02 7.187e-04 2.255e-02 9.033e-03 /

287.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.9	+0.8	+1.5	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-0.9	+0.7	+1.3	+1.7

Chebyshev(coeffs=[[5.51112,-0.167726,0.00334458,-0.0172639],[2.04567,-0.0729796,0.0288669,0.0260381],[0.231306,0.0285178,-0.0266866,0.011454],[-0.0196179,0.0579145,-0.035303,-0.00539484],[-0.0420923,0.0502973,-0.0130591,-0.00831744],[-0.0255021,0.0227127,0.00378748,-0.00575903]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.19
S298 (cal/mol*K) = -22.17
G298 (kcal/mol) = -5.58

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(32); H(25), C7H10(32); C7H9(5)+H(25)(+M)=>C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.511e+00 -1.677e-01 3.345e-03 -1.726e-02 / CHEB/ 2.046e+00 -7.298e-02 2.887e-02 2.604e-02 / CHEB/ 2.313e-01 2.852e-02 -2.669e-02 1.145e-02 / CHEB/ -1.962e-02 5.791e-02 -3.530e-02 -5.395e-03 / CHEB/ -4.209e-02 5.030e-02 -1.306e-02 -8.317e-03 / CHEB/ -2.550e-02 2.271e-02 3.787e-03 -5.759e-03 /

288.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.9	+4.5	+5.0	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+2.5	+3.9	+4.6	+4.8

Chebyshev(coeffs=[[9.36784,-0.852663,0.0297875,-0.0164397],[1.4926,0.0451338,-0.171871,0.0445652],[0.176777,0.226166,-0.0718995,-0.0452423],[-0.0353237,0.108508,-0.00234638,-0.0221141],[-0.0607326,0.0632817,0.0212132,0.000111983],[-0.0474322,0.0271233,0.0195159,0.00111322]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.59
S298 (cal/mol*K) = -29.17
G298 (kcal/mol) = -26.89

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(33); H(25), C7H10(33); C7H9(5)+H(25)(+M)=>C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.368e+00 -8.527e-01 2.979e-02 -1.644e-02 / CHEB/ 1.493e+00 4.513e-02 -1.719e-01 4.457e-02 / CHEB/ 1.768e-01 2.262e-01 -7.190e-02 -4.524e-02 / CHEB/ -3.532e-02 1.085e-01 -2.346e-03 -2.211e-02 / CHEB/ -6.073e-02 6.328e-02 2.121e-02 1.120e-04 / CHEB/ -4.743e-02 2.712e-02 1.952e-02 1.113e-03 /

289.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+0.2	+1.0	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+0.1	+0.9	+1.3

Chebyshev(coeffs=[[4.62339,-0.145099,0.00604112,-0.0176159],[2.43338,-0.0412964,0.0241229,0.0229541],[0.350931,0.0416143,-0.0283615,0.009127],[-0.0204011,0.0512091,-0.0296926,-0.00496619],[-0.0702787,0.0317539,-0.00706295,-0.00598965],[-0.0454358,0.00551302,0.00555459,-0.00336477]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.19
S298 (cal/mol*K) = -23.55
G298 (kcal/mol) = -5.17

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(34); H(25), C7H10(34); C7H9(5)+H(25)(+M)=>C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.623e+00 -1.451e-01 6.041e-03 -1.762e-02 / CHEB/ 2.433e+00 -4.130e-02 2.412e-02 2.295e-02 / CHEB/ 3.509e-01 4.161e-02 -2.836e-02 9.127e-03 / CHEB/ -2.040e-02 5.121e-02 -2.969e-02 -4.966e-03 / CHEB/ -7.028e-02 3.175e-02 -7.063e-03 -5.990e-03 / CHEB/ -4.544e-02 5.513e-03 5.555e-03 -3.365e-03 /

290.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.1	+2.6	+3.5	+3.7
log₁₀(k(10 bar)/[mole,m,s])	+0.0	+2.3	+3.3	+3.7

Chebyshev(coeffs=[[6.90787,-0.321953,0.0644758,-0.0270108],[2.54498,-0.0916402,-0.0185971,0.0506128],[0.439402,0.16068,-0.0829816,0.00983632],[-0.0439251,0.175324,-0.0386716,-0.0239552],[-0.114869,0.0673915,0.020323,-0.0211824],[-0.0779133,-0.0189592,0.0291266,-0.0022107]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.89
S298 (cal/mol*K) = -10.37
G298 (kcal/mol) = -6.80

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(35); H(25), C7H10(35); C7H9(5)+H(25)(+M)=>C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.908e+00 -3.220e-01 6.448e-02 -2.701e-02 / CHEB/ 2.545e+00 -9.164e-02 -1.860e-02 5.061e-02 / CHEB/ 4.394e-01 1.607e-01 -8.298e-02 9.836e-03 / CHEB/ -4.393e-02 1.753e-01 -3.867e-02 -2.396e-02 / CHEB/ -1.149e-01 6.739e-02 2.032e-02 -2.118e-02 / CHEB/ -7.791e-02 -1.896e-02 2.913e-02 -2.211e-03 /

291.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	+1.1	+4.1	+5.5
log₁₀(k(10 bar)/[mole,m,s])	-7.6	+0.9	+4.0	+5.5

Chebyshev(coeffs=[[-0.283125,-0.345338,0.0683706,0.00448518],[11.4833,0.179349,-0.110705,0.0131001],[0.28686,0.12176,-0.0164894,-0.0211639],[0.0266472,0.0368653,0.0211962,-0.0146298],[-0.00748776,-0.0113375,0.0172195,0.000347115],[-0.00359291,-0.017755,0.00322233,0.00521652]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.59
S298 (cal/mol*K) = 2.01
G298 (kcal/mol) = 31.99

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(36); H(25), C7H10(36); C7H9(5)+H(25)(+M)=>C7H10(36)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.831e-01 -3.453e-01 6.837e-02 4.485e-03 / CHEB/ 1.148e+01 1.793e-01 -1.107e-01 1.310e-02 / CHEB/ 2.869e-01 1.218e-01 -1.649e-02 -2.116e-02 / CHEB/ 2.665e-02 3.687e-02 2.120e-02 -1.463e-02 / CHEB/ -7.488e-03 -1.134e-02 1.722e-02 3.471e-04 / CHEB/ -3.593e-03 -1.776e-02 3.222e-03 5.217e-03 /

292.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+2.0	+4.1	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-3.5	+1.8	+4.0	+5.0

Chebyshev(coeffs=[[3.54034,-0.236296,0.0476043,-0.00316426],[7.05313,-0.0205222,-0.0621859,0.0149246],[0.456119,0.103221,-0.0484935,-0.00482081],[0.0217535,0.0836488,-0.00736891,-0.0149512],[-0.0304703,0.0222494,0.0165432,-0.0114466],[-0.0110155,-0.0129072,0.0141375,-0.00114979]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.76
S298 (cal/mol*K) = 1.02
G298 (kcal/mol) = 15.46

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(37); H(25), C7H10(37); C7H9(5)+H(25)(+M)=>C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.540e+00 -2.363e-01 4.760e-02 -3.164e-03 / CHEB/ 7.053e+00 -2.052e-02 -6.219e-02 1.492e-02 / CHEB/ 4.561e-01 1.032e-01 -4.849e-02 -4.821e-03 / CHEB/ 2.175e-02 8.365e-02 -7.369e-03 -1.495e-02 / CHEB/ -3.047e-02 2.225e-02 1.654e-02 -1.145e-02 / CHEB/ -1.102e-02 -1.291e-02 1.414e-02 -1.150e-03 /

293.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+3.5	+4.7	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+4.3	+5.5	+6.1

Chebyshev(coeffs=[[7.27963,1.75736,-0.0244678,-0.0335418],[3.38537,-0.00328958,0.0448129,0.0443855],[0.574562,0.0403383,-0.0477256,0.00228814],[-0.0417864,0.0847957,-0.02548,-0.00834865],[-0.0981699,0.0514981,-0.000791007,-0.00889979],[-0.0235434,0.00700842,0.00885713,-0.00546941]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.85
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = 0.85

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(38); H(25), C7H10(38); C7H9(5)+H(25)(+M)=>C7H10(38)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.280e+00 1.757e+00 -2.447e-02 -3.354e-02 / CHEB/ 3.385e+00 -3.290e-03 4.481e-02 4.439e-02 / CHEB/ 5.746e-01 4.034e-02 -4.773e-02 2.288e-03 / CHEB/ -4.179e-02 8.480e-02 -2.548e-02 -8.349e-03 / CHEB/ -9.817e-02 5.150e-02 -7.910e-04 -8.900e-03 / CHEB/ -2.354e-02 7.008e-03 8.857e-03 -5.469e-03 /

294.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.8	+4.3	+5.8	+6.4
log₁₀(k(10 bar)/[mole,m,s])	+0.8	+4.1	+5.6	+6.4

Chebyshev(coeffs=[[7.68246,-0.170997,0.0293575,-0.00893022],[4.22894,-0.0778002,-0.0126521,0.0218191],[0.534088,0.0637554,-0.041583,0.00340149],[0.0270515,0.084307,-0.025415,-0.010538],[-0.0443108,0.04618,0.000385922,-0.010071],[-0.0208972,0.00434333,0.0111203,-0.00466657]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.85
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = 0.85

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(39); H(25), C7H10(39); C7H9(5)+H(25)(+M)=>C7H10(39)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.682e+00 -1.710e-01 2.936e-02 -8.930e-03 / CHEB/ 4.229e+00 -7.780e-02 -1.265e-02 2.182e-02 / CHEB/ 5.341e-01 6.376e-02 -4.158e-02 3.401e-03 / CHEB/ 2.705e-02 8.431e-02 -2.541e-02 -1.054e-02 / CHEB/ -4.431e-02 4.618e-02 3.859e-04 -1.007e-02 / CHEB/ -2.090e-02 4.343e-03 1.112e-02 -4.667e-03 /

295.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-4.0	-2.2	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-11.5	-5.0	-2.7	-1.7

Chebyshev(coeffs=[[-4.06184,-1.47382,-0.202852,0.0320477],[8.55318,0.529336,-0.0805422,-0.0321538],[0.0683452,0.255581,0.0215586,-0.0182198],[-0.121423,0.177068,0.0321925,-0.0168163],[-0.0662588,0.101734,0.0302569,-0.0125154],[-0.0334213,0.0320415,0.0200288,-0.00100348]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.51
S298 (cal/mol*K) = -1.84
G298 (kcal/mol) = 24.06

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(44); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(44)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.062e+00 -1.474e+00 -2.029e-01 3.205e-02 / CHEB/ 8.553e+00 5.293e-01 -8.054e-02 -3.215e-02 / CHEB/ 6.835e-02 2.556e-01 2.156e-02 -1.822e-02 / CHEB/ -1.214e-01 1.771e-01 3.219e-02 -1.682e-02 / CHEB/ -6.626e-02 1.017e-01 3.026e-02 -1.252e-02 / CHEB/ -3.342e-02 3.204e-02 2.003e-02 -1.003e-03 /

296.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-6.1	-3.5	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-6.9	-3.9	-2.6

Chebyshev(coeffs=[[-8.80733,-1.34941,-0.230144,0.0277366],[12.5647,0.667968,-0.0528148,-0.0497527],[-0.119971,0.232574,0.0569629,-0.0190624],[-0.145192,0.124545,0.0537485,-0.00914587],[-0.0625653,0.0670273,0.0317124,-0.000568486],[-0.0326962,0.0195612,0.0128061,0.00462066]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.56
S298 (cal/mol*K) = 6.29
G298 (kcal/mol) = 36.68

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(45); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.807e+00 -1.349e+00 -2.301e-01 2.774e-02 / CHEB/ 1.256e+01 6.680e-01 -5.281e-02 -4.975e-02 / CHEB/ -1.200e-01 2.326e-01 5.696e-02 -1.906e-02 / CHEB/ -1.452e-01 1.245e-01 5.375e-02 -9.146e-03 / CHEB/ -6.257e-02 6.703e-02 3.171e-02 -5.685e-04 / CHEB/ -3.270e-02 1.956e-02 1.281e-02 4.621e-03 /

297.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-5.9	-3.5	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-15.6	-6.7	-3.9	-2.7

Chebyshev(coeffs=[[-8.22083,-1.37162,-0.223346,0.0258357],[11.9039,0.657126,-0.0622512,-0.0437474],[-0.13077,0.238954,0.0529902,-0.0202532],[-0.153271,0.131676,0.0526735,-0.0113761],[-0.0664889,0.0705888,0.0324292,-0.00187729],[-0.0335909,0.0205381,0.0137798,0.00445489]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.51
S298 (cal/mol*K) = 5.37
G298 (kcal/mol) = 34.91

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(46); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.221e+00 -1.372e+00 -2.233e-01 2.584e-02 / CHEB/ 1.190e+01 6.571e-01 -6.225e-02 -4.375e-02 / CHEB/ -1.308e-01 2.390e-01 5.299e-02 -2.025e-02 / CHEB/ -1.533e-01 1.317e-01 5.267e-02 -1.138e-02 / CHEB/ -6.649e-02 7.059e-02 3.243e-02 -1.877e-03 / CHEB/ -3.359e-02 2.054e-02 1.378e-02 4.455e-03 /

298.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.9	-10.0	-6.5	-5.0
log₁₀(k(10 bar)/[mole,m,s])	-22.8	-10.6	-6.8	-5.1

Chebyshev(coeffs=[[-15.3638,-1.11054,-0.285767,0.0243834],[16.6888,0.661577,0.0483956,-0.0762178],[-0.158487,0.168823,0.0716861,-0.00111601],[-0.141728,0.0751014,0.0485202,0.00684008],[-0.0585896,0.0463353,0.0229305,0.00444427],[-0.0332731,0.0149858,0.0070964,0.00354646]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 52.61
S298 (cal/mol*K) = 3.66
G298 (kcal/mol) = 51.52

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(47); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(47)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.536e+01 -1.111e+00 -2.858e-01 2.438e-02 / CHEB/ 1.669e+01 6.616e-01 4.840e-02 -7.622e-02 / CHEB/ -1.585e-01 1.688e-01 7.169e-02 -1.116e-03 / CHEB/ -1.417e-01 7.510e-02 4.852e-02 6.840e-03 / CHEB/ -5.859e-02 4.634e-02 2.293e-02 4.444e-03 / CHEB/ -3.327e-02 1.499e-02 7.096e-03 3.546e-03 /

299.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-2.2	-1.0	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-3.2	-1.7	-1.0

Chebyshev(coeffs=[[-0.159152,-1.55012,-0.187461,0.0388416],[5.3747,0.454448,-0.0895304,-0.0224852],[0.120275,0.232797,0.0103355,-0.0243383],[-0.127113,0.185487,0.0142306,-0.014522],[-0.0765026,0.126193,0.0172721,-0.0124907],[-0.0402165,0.049129,0.0194206,-0.00601825]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.98
S298 (cal/mol*K) = -13.75
G298 (kcal/mol) = 10.08

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(48); H(25), C7H10(48); C7H9(5)+H(25)(+M)=>C7H10(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.592e-01 -1.550e+00 -1.875e-01 3.884e-02 / CHEB/ 5.375e+00 4.544e-01 -8.953e-02 -2.249e-02 / CHEB/ 1.203e-01 2.328e-01 1.034e-02 -2.434e-02 / CHEB/ -1.271e-01 1.855e-01 1.423e-02 -1.452e-02 / CHEB/ -7.650e-02 1.262e-01 1.727e-02 -1.249e-02 / CHEB/ -4.022e-02 4.913e-02 1.942e-02 -6.018e-03 /

300.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-3.4	-1.6	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-4.3	-2.2	-1.2

Chebyshev(coeffs=[[-3.11876,-1.4826,-0.201884,0.0340398],[8.15518,0.516482,-0.0804531,-0.0325852],[0.0705884,0.253776,0.0192639,-0.0183047],[-0.120408,0.180097,0.0294021,-0.0163771],[-0.0671774,0.105352,0.0290255,-0.0130877],[-0.0344457,0.0338662,0.0203807,-0.00187338]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.98
S298 (cal/mol*K) = -13.75
G298 (kcal/mol) = 10.08

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(49); H(25), C7H10(49); C7H9(5)+H(25)(+M)=>C7H10(49)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.119e+00 -1.483e+00 -2.019e-01 3.404e-02 / CHEB/ 8.155e+00 5.165e-01 -8.045e-02 -3.259e-02 / CHEB/ 7.059e-02 2.538e-01 1.926e-02 -1.830e-02 / CHEB/ -1.204e-01 1.801e-01 2.940e-02 -1.638e-02 / CHEB/ -6.718e-02 1.054e-01 2.903e-02 -1.309e-02 / CHEB/ -3.445e-02 3.387e-02 2.038e-02 -1.873e-03 /

301.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.6	+2.1	+2.8	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-4.1	+0.9	+2.1	+2.0

Chebyshev(coeffs=[[4.31486,-2.23802,-0.106776,-0.00898835],[4.27646,0.819058,-0.27649,0.0164162],[0.359475,0.601455,0.00658462,-0.0604302],[-0.365862,0.167952,0.0927218,-0.00480479],[-0.277745,-0.0147715,0.0445615,0.0190046],[-0.115186,-0.0399575,-0.000495549,0.00528809]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.28
S298 (cal/mol*K) = -14.48
G298 (kcal/mol) = 5.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(50); H(25), C7H10(50); C7H9(5)+H(25)(+M)=>C7H10(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.315e+00 -2.238e+00 -1.068e-01 -8.988e-03 / CHEB/ 4.276e+00 8.191e-01 -2.765e-01 1.642e-02 / CHEB/ 3.595e-01 6.015e-01 6.585e-03 -6.043e-02 / CHEB/ -3.659e-01 1.680e-01 9.272e-02 -4.805e-03 / CHEB/ -2.777e-01 -1.477e-02 4.456e-02 1.900e-02 / CHEB/ -1.152e-01 -3.996e-02 -4.955e-04 5.288e-03 /

302.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	-1.8	-1.1	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-6.0	-2.4	-1.5	-1.5

Chebyshev(coeffs=[[1.28361,-1.3904,-0.134236,0.0231707],[3.75672,0.702359,-0.00611939,-0.0136768],[0.150474,0.200312,0.0482799,-0.00484018],[-0.243878,0.0119621,-0.00271581,0.0152239],[-0.164753,-0.0127054,-0.0309437,0.00629811],[-0.0677019,0.00527778,-0.0200691,-0.00903002]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.28
S298 (cal/mol*K) = -14.48
G298 (kcal/mol) = 5.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(51); H(25), C7H10(51); C7H9(5)+H(25)(+M)=>C7H10(51)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.284e+00 -1.390e+00 -1.342e-01 2.317e-02 / CHEB/ 3.757e+00 7.024e-01 -6.119e-03 -1.368e-02 / CHEB/ 1.505e-01 2.003e-01 4.828e-02 -4.840e-03 / CHEB/ -2.439e-01 1.196e-02 -2.716e-03 1.522e-02 / CHEB/ -1.648e-01 -1.271e-02 -3.094e-02 6.298e-03 / CHEB/ -6.770e-02 5.278e-03 -2.007e-02 -9.030e-03 /

303.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-1.1	-0.1	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-2.4	-1.0	-0.9

Chebyshev(coeffs=[[1.12928,-1.87925,-0.0447198,0.0260731],[4.75283,0.284452,-0.0303121,0.0393328],[0.323378,0.471952,-0.0913359,0.014026],[-0.357084,0.370542,-0.0177058,-0.0429426],[-0.299888,0.0940778,0.0645925,-0.042988],[-0.140074,-0.0436153,0.0419813,0.00352565]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.88
S298 (cal/mol*K) = -14.48
G298 (kcal/mol) = 7.19

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(52); H(25), C7H10(52); C7H9(5)+H(25)(+M)=>C7H10(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.129e+00 -1.879e+00 -4.472e-02 2.607e-02 / CHEB/ 4.753e+00 2.845e-01 -3.031e-02 3.933e-02 / CHEB/ 3.234e-01 4.720e-01 -9.134e-02 1.403e-02 / CHEB/ -3.571e-01 3.705e-01 -1.771e-02 -4.294e-02 / CHEB/ -2.999e-01 9.408e-02 6.459e-02 -4.299e-02 / CHEB/ -1.401e-01 -4.362e-02 4.198e-02 3.526e-03 /

304.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	+1.2	+2.3	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-3.4	+0.2	+1.5	+2.2

Chebyshev(coeffs=[[3.99094,-1.59362,-0.180295,0.034763],[4.32987,0.435511,-0.0931167,-0.0122179],[0.227299,0.221636,0.00414379,-0.0267365],[-0.111609,0.180458,0.00877585,-0.0158707],[-0.0715203,0.131192,0.0122441,-0.0103944],[-0.0433122,0.054715,0.0175869,-0.00520173]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.54
S298 (cal/mol*K) = -4.87
G298 (kcal/mol) = 6.00

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(53); H(25), C7H10(53); C7H9(5)+H(25)(+M)=>C7H10(53)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.991e+00 -1.594e+00 -1.803e-01 3.476e-02 / CHEB/ 4.330e+00 4.355e-01 -9.312e-02 -1.222e-02 / CHEB/ 2.273e-01 2.216e-01 4.144e-03 -2.674e-02 / CHEB/ -1.116e-01 1.805e-01 8.776e-03 -1.587e-02 / CHEB/ -7.152e-02 1.312e-01 1.224e-02 -1.039e-02 / CHEB/ -4.331e-02 5.471e-02 1.759e-02 -5.202e-03 /

305.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.2	-1.3	+0.8	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-8.2	-2.0	+0.4	+1.5

Chebyshev(coeffs=[[-0.492961,-1.3789,-0.167716,0.0305421],[7.71816,0.686646,-0.0347079,-0.0437555],[0.391783,0.320971,0.0341769,-0.0243665],[-0.0169429,0.151864,0.0180953,-0.0121863],[-0.0446824,0.0380636,0.0107459,-0.00692083],[-0.0343739,-0.024864,0.00796796,0.0022675]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.87
S298 (cal/mol*K) = -4.14
G298 (kcal/mol) = 17.11

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(54); H(25), C7H10(54); C7H9(5)+H(25)(+M)=>C7H10(54)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.930e-01 -1.379e+00 -1.677e-01 3.054e-02 / CHEB/ 7.718e+00 6.866e-01 -3.471e-02 -4.376e-02 / CHEB/ 3.918e-01 3.210e-01 3.418e-02 -2.437e-02 / CHEB/ -1.694e-02 1.519e-01 1.810e-02 -1.219e-02 / CHEB/ -4.468e-02 3.806e-02 1.075e-02 -6.921e-03 / CHEB/ -3.437e-02 -2.486e-02 7.968e-03 2.267e-03 /

306.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.3	+0.0	+1.3	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-5.3	-1.0	+0.6	+1.5

Chebyshev(coeffs=[[2.15487,-1.5567,-0.184275,0.0371657],[5.3473,0.459981,-0.0911438,-0.019375],[0.264169,0.235151,0.0104747,-0.0258336],[-0.0978964,0.185987,0.014203,-0.0148225],[-0.0638533,0.127941,0.0166601,-0.0117545],[-0.0362853,0.0501474,0.019434,-0.00586529]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.96
S298 (cal/mol*K) = -8.98
G298 (kcal/mol) = 10.64

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(55); H(25), C7H10(55); C7H9(5)+H(25)(+M)=>C7H10(55)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.155e+00 -1.557e+00 -1.843e-01 3.717e-02 / CHEB/ 5.347e+00 4.600e-01 -9.114e-02 -1.938e-02 / CHEB/ 2.642e-01 2.352e-01 1.047e-02 -2.583e-02 / CHEB/ -9.790e-02 1.860e-01 1.420e-02 -1.482e-02 / CHEB/ -6.385e-02 1.279e-01 1.666e-02 -1.175e-02 / CHEB/ -3.629e-02 5.015e-02 1.943e-02 -5.865e-03 /

307.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-1.5	+0.8	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-10.6	-2.3	+0.3	+1.4

Chebyshev(coeffs=[[-3.05216,-1.4136,-0.210302,0.0231715],[10.814,0.622237,-0.0763382,-0.0330168],[0.00922033,0.254574,0.0425621,-0.0209871],[-0.155846,0.150983,0.0484383,-0.0155942],[-0.115168,0.0809472,0.033763,-0.00563835],[-0.0472888,0.0236273,0.0164801,0.00353471]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.18
S298 (cal/mol*K) = -3.24
G298 (kcal/mol) = 12.15

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(56); H(25), C7H10(56); C7H9(5)+H(25)(+M)=>C7H10(56)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.052e+00 -1.414e+00 -2.103e-01 2.317e-02 / CHEB/ 1.081e+01 6.222e-01 -7.634e-02 -3.302e-02 / CHEB/ 9.220e-03 2.546e-01 4.256e-02 -2.099e-02 / CHEB/ -1.558e-01 1.510e-01 4.844e-02 -1.559e-02 / CHEB/ -1.152e-01 8.095e-02 3.376e-02 -5.638e-03 / CHEB/ -4.729e-02 2.363e-02 1.648e-02 3.535e-03 /

308.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.7	+3.0	+3.3	+3.2
log₁₀(k(10 bar)/[mole,m,s])	+2.4	+3.4	+3.9	+4.0

Chebyshev(coeffs=[[8.07089,1.29318,-0.0019951,-0.0499496],[1.09864,-0.152191,-0.110253,0.0812142],[0.131077,0.151888,-0.0903948,-0.0173631],[-0.0987807,0.136981,-0.0176808,-0.0381908],[-0.0943017,0.0806138,0.0225194,-0.00895066],[-0.0458492,0.0273765,0.0160412,0.00334927]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.27
S298 (cal/mol*K) = -11.01
G298 (kcal/mol) = -9.98

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(57); H(25), C7H10(57); C7H9(5)+H(25)(+M)=>C7H10(57)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.071e+00 1.293e+00 -1.995e-03 -4.995e-02 / CHEB/ 1.099e+00 -1.522e-01 -1.103e-01 8.121e-02 / CHEB/ 1.311e-01 1.519e-01 -9.039e-02 -1.736e-02 / CHEB/ -9.878e-02 1.370e-01 -1.768e-02 -3.819e-02 / CHEB/ -9.430e-02 8.061e-02 2.252e-02 -8.951e-03 / CHEB/ -4.585e-02 2.738e-02 1.604e-02 3.349e-03 /

309.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	+2.4	+4.1	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-4.0	+1.8	+3.7	+4.5

Chebyshev(coeffs=[[3.38909,-1.54445,-0.361582,-0.0695822],[7.04112,0.87823,0.111814,-0.00198088],[0.272096,0.221891,0.00291232,0.00660439],[-0.117224,0.0479705,-0.00426053,-0.0119359],[-0.080822,0.0249382,0.0253208,-0.00638413],[-0.0163821,0.00589372,0.0225937,0.00307605]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.21
S298 (cal/mol*K) = -0.73
G298 (kcal/mol) = 15.43

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(58); H(25), C7H10(58); C7H9(5)+H(25)(+M)=>C7H10(58)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.389e+00 -1.544e+00 -3.616e-01 -6.958e-02 / CHEB/ 7.041e+00 8.782e-01 1.118e-01 -1.981e-03 / CHEB/ 2.721e-01 2.219e-01 2.912e-03 6.604e-03 / CHEB/ -1.172e-01 4.797e-02 -4.261e-03 -1.194e-02 / CHEB/ -8.082e-02 2.494e-02 2.532e-02 -6.384e-03 / CHEB/ -1.638e-02 5.894e-03 2.259e-02 3.076e-03 /

310.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+1.4	+2.6	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-5.8	+0.4	+2.1	+2.4

Chebyshev(coeffs=[[3.04339,-2.84418,-0.194904,0.00373434],[5.49614,1.84322,-0.115702,-0.0290566],[0.559217,0.700728,0.0965381,-0.0216348],[-0.328299,0.0746153,0.069266,0.00614102],[-0.240909,-0.06599,0.011167,0.00631215],[-0.100532,-0.0463028,-0.00420571,-0.000806816]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.66
S298 (cal/mol*K) = -4.77
G298 (kcal/mol) = -7.23

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(59); H(25), C7H10(59); C7H9(5)+H(25)(+M)=>C7H10(59)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.043e+00 -2.844e+00 -1.949e-01 3.734e-03 / CHEB/ 5.496e+00 1.843e+00 -1.157e-01 -2.906e-02 / CHEB/ 5.592e-01 7.007e-01 9.654e-02 -2.163e-02 / CHEB/ -3.283e-01 7.462e-02 6.927e-02 6.141e-03 / CHEB/ -2.409e-01 -6.599e-02 1.117e-02 6.312e-03 / CHEB/ -1.005e-01 -4.630e-02 -4.206e-03 -8.068e-04 /

311.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+4.0	+5.8	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+3.5	+5.5	+6.5

Chebyshev(coeffs=[[5.56084,-0.844665,-0.0303265,0.00637479],[6.52099,0.220939,-0.178499,-0.0321635],[0.504801,0.28939,-0.000313087,-0.0262408],[-0.0519335,0.121923,0.0396568,-0.00496583],[-0.0653507,0.0122347,0.0342602,0.00208278],[-0.0156008,-0.022976,0.0123526,0.00341141]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.92
S298 (cal/mol*K) = 16.43
G298 (kcal/mol) = 6.02

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(60); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(60)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.561e+00 -8.447e-01 -3.033e-02 6.375e-03 / CHEB/ 6.521e+00 2.209e-01 -1.785e-01 -3.216e-02 / CHEB/ 5.048e-01 2.894e-01 -3.131e-04 -2.624e-02 / CHEB/ -5.193e-02 1.219e-01 3.966e-02 -4.966e-03 / CHEB/ -6.535e-02 1.223e-02 3.426e-02 2.083e-03 / CHEB/ -1.560e-02 -2.298e-02 1.235e-02 3.411e-03 /

312.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.1	-2.0	+1.9	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-14.7	-2.3	+1.8	+3.8

Chebyshev(coeffs=[[-7.03952,-0.869859,-0.198262,0.00965387],[16.6152,0.669909,0.0176704,-0.0766542],[0.275212,0.0927155,0.0797937,0.00753104],[-0.0420462,0.00114993,0.025937,0.0136587],[-0.0384634,-0.0163868,0.00103775,0.00951763],[-0.0232324,-0.00716922,-0.00370705,0.00177506]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.90
S298 (cal/mol*K) = 23.63
G298 (kcal/mol) = 40.86

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(61); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(61)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.040e+00 -8.699e-01 -1.983e-01 9.654e-03 / CHEB/ 1.662e+01 6.699e-01 1.767e-02 -7.665e-02 / CHEB/ 2.752e-01 9.272e-02 7.979e-02 7.531e-03 / CHEB/ -4.205e-02 1.150e-03 2.594e-02 1.366e-02 / CHEB/ -3.846e-02 -1.639e-02 1.038e-03 9.518e-03 / CHEB/ -2.323e-02 -7.169e-03 -3.707e-03 1.775e-03 /

313.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+4.0	+5.9	+6.7
log₁₀(k(10 bar)/[mole,m,s])	-2.8	+3.5	+5.6	+6.5

Chebyshev(coeffs=[[4.69024,-0.887681,-0.0567283,0.00687652],[7.66755,0.303006,-0.158189,-0.0395218],[0.343239,0.27545,0.00757609,-0.0189362],[-0.0772604,0.0952747,0.0411204,-0.00641086],[-0.0745193,0.000995597,0.0322399,0.00209908],[-0.0204307,-0.0207136,0.0096449,0.00478883]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.87
S298 (cal/mol*K) = 31.48
G298 (kcal/mol) = 7.49

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H6(62); H(25), C2H4(115); C7H9(5)+H(25)(+M)=>C2H4(115)+C5H6(62)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.690e+00 -8.877e-01 -5.673e-02 6.877e-03 / CHEB/ 7.668e+00 3.030e-01 -1.582e-01 -3.952e-02 / CHEB/ 3.432e-01 2.755e-01 7.576e-03 -1.894e-02 / CHEB/ -7.726e-02 9.527e-02 4.112e-02 -6.411e-03 / CHEB/ -7.452e-02 9.956e-04 3.224e-02 2.099e-03 / CHEB/ -2.043e-02 -2.071e-02 9.645e-03 4.789e-03 /

314.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+3.2	+4.2	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+3.5	+4.8	+5.3

Chebyshev(coeffs=[[7.13095,0.261442,-0.0392327,-0.00735952],[2.82688,1.02224,-0.113831,0.0243609],[0.482688,0.350181,-0.102643,-0.0850742],[-0.0198911,0.0462781,0.0274147,-0.0107427],[-0.0871414,0.00568881,0.0456395,0.0261334],[-0.041512,-0.00781006,0.00924276,0.00730758]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -33.88
S298 (cal/mol*K) = -7.79
G298 (kcal/mol) = -31.55

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(63); H(25), C7H10(63); C7H9(5)+H(25)(+M)=>C7H10(63)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.131e+00 2.614e-01 -3.923e-02 -7.360e-03 / CHEB/ 2.827e+00 1.022e+00 -1.138e-01 2.436e-02 / CHEB/ 4.827e-01 3.502e-01 -1.026e-01 -8.507e-02 / CHEB/ -1.989e-02 4.628e-02 2.741e-02 -1.074e-02 / CHEB/ -8.714e-02 5.689e-03 4.564e-02 2.613e-02 / CHEB/ -4.151e-02 -7.810e-03 9.243e-03 7.308e-03 /

315.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.2	+1.2	+3.9	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-8.0	+0.8	+3.7	+5.1

Chebyshev(coeffs=[[0.549891,-1.50074,-0.103932,0.0333122],[9.70649,1.32604,-0.0896744,-0.0878107],[1.07616,0.040616,-3.74795e-05,-0.0171918],[-0.218575,-0.107317,0.0669717,0.024359],[-0.0774871,0.0909306,0.0462883,-0.00438306],[0.0109504,-0.00582114,-0.0240936,0.000432898]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.62
S298 (cal/mol*K) = 0.61
G298 (kcal/mol) = 10.44

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(64); H(25), C7H10(64); C7H9(5)+H(25)(+M)=>C7H10(64)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.499e-01 -1.501e+00 -1.039e-01 3.331e-02 / CHEB/ 9.706e+00 1.326e+00 -8.967e-02 -8.781e-02 / CHEB/ 1.076e+00 4.062e-02 -3.748e-05 -1.719e-02 / CHEB/ -2.186e-01 -1.073e-01 6.697e-02 2.436e-02 / CHEB/ -7.749e-02 9.093e-02 4.629e-02 -4.383e-03 / CHEB/ 1.095e-02 -5.821e-03 -2.409e-02 4.329e-04 /

316.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	+1.9	+3.9	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+1.2	+3.7	+4.9

Chebyshev(coeffs=[[4.92666,-1.90892,-0.0663806,-0.00874026],[4.78055,1.15516,-0.15626,0.026227],[1.06413,0.674718,0.0392978,-0.0777467],[0.142123,0.0879349,0.06274,-0.0220135],[0.00437886,-0.121952,-0.00170868,0.020102],[-0.00755895,-0.104031,-0.0147791,0.0142177]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.48
S298 (cal/mol*K) = -2.17
G298 (kcal/mol) = -9.83

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(65); H(25), C7H10(65); C7H9(5)+H(25)(+M)=>C7H10(65)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.927e+00 -1.909e+00 -6.638e-02 -8.740e-03 / CHEB/ 4.781e+00 1.155e+00 -1.563e-01 2.623e-02 / CHEB/ 1.064e+00 6.747e-01 3.930e-02 -7.775e-02 / CHEB/ 1.421e-01 8.793e-02 6.274e-02 -2.201e-02 / CHEB/ 4.379e-03 -1.220e-01 -1.709e-03 2.010e-02 / CHEB/ -7.559e-03 -1.040e-01 -1.478e-02 1.422e-02 /

317.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-1.5	+1.6	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-2.0	+1.4	+3.2

Chebyshev(coeffs=[[-0.665812,-1.8233,-0.157898,0.0325021],[8.27451,1.24967,-0.0733644,-0.0746717],[1.34136,0.587672,0.111298,-0.0320559],[0.186603,0.0534797,0.0321699,0.0121284],[0.0013693,-0.130164,-0.0156398,0.00590588],[-0.00577392,-0.109024,-0.00719009,0.00298014]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.42
S298 (cal/mol*K) = -0.49
G298 (kcal/mol) = 1.57

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(66); H(25), C7H10(66); C7H9(5)+H(25)(+M)=>C7H10(66)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.658e-01 -1.823e+00 -1.579e-01 3.250e-02 / CHEB/ 8.275e+00 1.250e+00 -7.336e-02 -7.467e-02 / CHEB/ 1.341e+00 5.877e-01 1.113e-01 -3.206e-02 / CHEB/ 1.866e-01 5.348e-02 3.217e-02 1.213e-02 / CHEB/ 1.369e-03 -1.302e-01 -1.564e-02 5.906e-03 / CHEB/ -5.774e-03 -1.090e-01 -7.190e-03 2.980e-03 /

318.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+0.1	+2.2	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-0.8	+2.0	+3.7

Chebyshev(coeffs=[[2.53151,-1.96169,-0.106824,0.00762798],[5.69048,1.15264,-0.177631,-0.00848687],[1.04865,0.689005,0.104695,-0.0705472],[0.197269,0.172138,0.102836,-0.00275458],[0.103356,-0.0430574,0.00875555,0.0162073],[0.0683099,-0.110872,-0.0294403,0.00446334]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.68
S298 (cal/mol*K) = -3.27
G298 (kcal/mol) = -18.70

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(67); H(25), C7H10(67); C7H9(5)+H(25)(+M)=>C7H10(67)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.532e+00 -1.962e+00 -1.068e-01 7.628e-03 / CHEB/ 5.690e+00 1.153e+00 -1.776e-01 -8.487e-03 / CHEB/ 1.049e+00 6.890e-01 1.047e-01 -7.055e-02 / CHEB/ 1.973e-01 1.721e-01 1.028e-01 -2.755e-03 / CHEB/ 1.034e-01 -4.306e-02 8.756e-03 1.621e-02 / CHEB/ 6.831e-02 -1.109e-01 -2.944e-02 4.463e-03 /

319.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	+1.0	+3.3	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-6.1	+0.5	+3.1	+4.2

Chebyshev(coeffs=[[2.83028,-1.82694,-0.0561467,0.0102098],[6.35616,1.31476,-0.162696,-0.0115913],[1.1601,0.512461,0.0375598,-0.0766876],[0.0342282,-0.10269,0.0354651,-0.000317444],[-0.078774,-0.139025,0.0151113,0.029842],[-0.0290105,-0.00844843,0.0177459,0.011565]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.42
S298 (cal/mol*K) = -0.49
G298 (kcal/mol) = 1.57

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(68); H(25), C7H10(68); C7H9(5)+H(25)(+M)=>C7H10(68)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.830e+00 -1.827e+00 -5.615e-02 1.021e-02 / CHEB/ 6.356e+00 1.315e+00 -1.627e-01 -1.159e-02 / CHEB/ 1.160e+00 5.125e-01 3.756e-02 -7.669e-02 / CHEB/ 3.423e-02 -1.027e-01 3.547e-02 -3.174e-04 / CHEB/ -7.877e-02 -1.390e-01 1.511e-02 2.984e-02 / CHEB/ -2.901e-02 -8.448e-03 1.775e-02 1.156e-02 /

320.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+5.3	+6.1	+6.2
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+4.2	+5.4	+5.9

Chebyshev(coeffs=[[8.64565,-2.01235,-0.0435917,0.0182507],[3.27334,0.780184,-0.251698,0.0323695],[0.355043,0.510171,-0.0424634,-0.0864982],[-0.1712,0.183856,0.0849136,-0.0274914],[-0.0943513,0.0424077,0.0450405,0.0168676],[-0.0191963,0.0044522,-0.00369722,0.00717257]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.68
S298 (cal/mol*K) = -3.27
G298 (kcal/mol) = -18.70

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(69); H(25), C7H10(69); C7H9(5)+H(25)(+M)=>C7H10(69)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.646e+00 -2.012e+00 -4.359e-02 1.825e-02 / CHEB/ 3.273e+00 7.802e-01 -2.517e-01 3.237e-02 / CHEB/ 3.550e-01 5.102e-01 -4.246e-02 -8.650e-02 / CHEB/ -1.712e-01 1.839e-01 8.491e-02 -2.749e-02 / CHEB/ -9.435e-02 4.241e-02 4.504e-02 1.687e-02 / CHEB/ -1.920e-02 4.452e-03 -3.697e-03 7.173e-03 /

321.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.3	+2.0	+4.0	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-4.9	+1.5	+3.7	+4.7

Chebyshev(coeffs=[[2.59002,-0.900927,-0.053958,0.00613762],[7.88466,0.323183,-0.16161,-0.0391288],[0.382682,0.279091,0.011386,-0.0194078],[-0.0712181,0.0978212,0.0416888,-0.00610452],[-0.0673844,-0.000623526,0.0326348,0.00248044],[-0.0178233,-0.0227561,0.00927414,0.00521065]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.62
S298 (cal/mol*K) = 0.61
G298 (kcal/mol) = 10.44

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(70); H(25), C7H10(70); C7H9(5)+H(25)(+M)=>C7H10(70)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.590e+00 -9.009e-01 -5.396e-02 6.138e-03 / CHEB/ 7.885e+00 3.232e-01 -1.616e-01 -3.913e-02 / CHEB/ 3.827e-01 2.791e-01 1.139e-02 -1.941e-02 / CHEB/ -7.122e-02 9.782e-02 4.169e-02 -6.105e-03 / CHEB/ -6.738e-02 -6.235e-04 3.263e-02 2.480e-03 / CHEB/ -1.782e-02 -2.276e-02 9.274e-03 5.211e-03 /

322.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	+1.3	+3.4	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-3.9	+0.8	+3.1	+4.3

Chebyshev(coeffs=[[3.88825,-0.843919,0.0239456,-0.0204523],[5.39373,0.2239,-0.239476,0.0037559],[0.882933,0.292652,-0.00288761,-0.0516672],[0.123367,0.156554,0.0422245,-0.00531971],[-0.00182026,0.0162496,0.0400226,0.0107177],[-0.00934617,-0.0407294,0.014905,0.00696771]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.14
S298 (cal/mol*K) = -6.88
G298 (kcal/mol) = -9.08

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(71); H(25), C7H10(71); C7H9(5)+H(25)(+M)=>C7H10(71)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.888e+00 -8.439e-01 2.395e-02 -2.045e-02 / CHEB/ 5.394e+00 2.239e-01 -2.395e-01 3.756e-03 / CHEB/ 8.829e-01 2.927e-01 -2.888e-03 -5.167e-02 / CHEB/ 1.234e-01 1.566e-01 4.222e-02 -5.320e-03 / CHEB/ -1.820e-03 1.625e-02 4.002e-02 1.072e-02 / CHEB/ -9.346e-03 -4.073e-02 1.491e-02 6.968e-03 /

323.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.0	-5.3	+0.4	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-23.4	-5.4	+0.3	+2.9

Chebyshev(coeffs=[[-15.8588,-0.441368,-0.216592,-0.0527787],[25.1162,0.303113,0.120618,0.00284612],[-0.10045,0.0816351,0.0450866,0.0140562],[-0.127336,-0.0184187,0.00155665,0.00980134],[-0.0740379,-0.0027918,-0.00145722,0.000625192],[-0.040202,0.00142117,-0.00060841,-0.00109604]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.95
S298 (cal/mol*K) = 40.93
G298 (kcal/mol) = 69.75

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H6(62); H(25), C2H4(72); C7H9(5)+H(25)(+M)=>C2H4(72)+C5H6(62)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.586e+01 -4.414e-01 -2.166e-01 -5.278e-02 / CHEB/ 2.512e+01 3.031e-01 1.206e-01 2.846e-03 / CHEB/ -1.005e-01 8.164e-02 4.509e-02 1.406e-02 / CHEB/ -1.273e-01 -1.842e-02 1.557e-03 9.801e-03 / CHEB/ -7.404e-02 -2.792e-03 -1.457e-03 6.252e-04 / CHEB/ -4.020e-02 1.421e-03 -6.084e-04 -1.096e-03 /

324.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.4	-8.4	-1.2	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-30.6	-8.5	-1.3	+2.2

Chebyshev(coeffs=[[-22.6832,-0.310198,-0.172177,-0.0594987],[30.9946,0.211867,0.103908,0.0224548],[0.0576405,0.0589043,0.0345328,0.0133973],[-0.0687564,-0.0163721,-0.00320905,0.00444214],[-0.0590589,-0.000321408,-0.000690369,-0.000442585],[-0.0174079,0.00127532,-2.16035e-05,-0.000650827]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 100.38
S298 (cal/mol*K) = 44.83
G298 (kcal/mol) = 87.02

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H6(74); H(25), C3H4(73); C7H9(5)+H(25)(+M)=>C4H6(74)+C3H4(73)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.268e+01 -3.102e-01 -1.722e-01 -5.950e-02 / CHEB/ 3.099e+01 2.119e-01 1.039e-01 2.245e-02 / CHEB/ 5.764e-02 5.890e-02 3.453e-02 1.340e-02 / CHEB/ -6.876e-02 -1.637e-02 -3.209e-03 4.442e-03 / CHEB/ -5.906e-02 -3.214e-04 -6.904e-04 -4.426e-04 / CHEB/ -1.741e-02 1.275e-03 -2.160e-05 -6.508e-04 /

325.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	+1.5	+2.9	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-5.6	+1.2	+2.8	+3.2

Chebyshev(coeffs=[[1.7263,-1.15238,-0.191675,0.0157796],[7.92396,0.87847,-0.00417786,-0.0578329],[0.0159476,0.226242,0.0920313,-0.0171422],[-0.269585,-0.0305973,0.0457396,0.018219],[-0.165926,-0.0579707,-0.00495346,0.0154881],[-0.0569977,-0.0272116,-0.0157917,0.00112858]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.45
S298 (cal/mol*K) = 1.48
G298 (kcal/mol) = 20.01

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(75); H(25), C7H10(75); C7H9(5)+H(25)(+M)=>C7H10(75)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.726e+00 -1.152e+00 -1.917e-01 1.578e-02 / CHEB/ 7.924e+00 8.785e-01 -4.178e-03 -5.783e-02 / CHEB/ 1.595e-02 2.262e-01 9.203e-02 -1.714e-02 / CHEB/ -2.696e-01 -3.060e-02 4.574e-02 1.822e-02 / CHEB/ -1.659e-01 -5.797e-02 -4.953e-03 1.549e-02 / CHEB/ -5.700e-02 -2.721e-02 -1.579e-02 1.129e-03 /

326.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+2.9	+4.0	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-1.4	+2.5	+3.8	+4.4

Chebyshev(coeffs=[[6.04712,-1.26112,-0.171287,0.00633951],[4.00044,0.857185,-0.0597478,-0.0422301],[0.469726,0.180654,0.064322,-0.0233338],[-0.0653409,-0.0563324,0.0324523,0.011506],[-0.0548382,-0.0420535,-0.00958472,0.0105472],[-0.00208499,0.0101966,-0.0112648,-0.0033294]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.05
S298 (cal/mol*K) = -4.90
G298 (kcal/mol) = -1.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(76); H(25), C7H10(76); C7H9(5)+H(25)(+M)=>C7H10(76)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.047e+00 -1.261e+00 -1.713e-01 6.340e-03 / CHEB/ 4.000e+00 8.572e-01 -5.975e-02 -4.223e-02 / CHEB/ 4.697e-01 1.807e-01 6.432e-02 -2.333e-02 / CHEB/ -6.534e-02 -5.633e-02 3.245e-02 1.151e-02 / CHEB/ -5.484e-02 -4.205e-02 -9.585e-03 1.055e-02 / CHEB/ -2.085e-03 1.020e-02 -1.126e-02 -3.329e-03 /

327.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.6	+4.7	+4.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+4.2	+4.1	+3.4

Chebyshev(coeffs=[[8.59425,-1.34687,-0.152177,0.00389238],[1.81656,0.862493,-0.0782397,-0.033468],[-0.24805,0.276728,0.0539541,-0.0277922],[-0.367961,-0.0163959,0.0542479,0.00558523],[-0.233883,-0.068216,0.0113207,0.0155944],[-0.103985,-0.0299796,-0.0105272,0.00650804]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.06
S298 (cal/mol*K) = -13.02
G298 (kcal/mol) = -21.18

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(77); H(25), C7H10(77); C7H9(5)+H(25)(+M)=>C7H10(77)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.594e+00 -1.347e+00 -1.522e-01 3.892e-03 / CHEB/ 1.817e+00 8.625e-01 -7.824e-02 -3.347e-02 / CHEB/ -2.481e-01 2.767e-01 5.395e-02 -2.779e-02 / CHEB/ -3.680e-01 -1.640e-02 5.425e-02 5.585e-03 / CHEB/ -2.339e-01 -6.822e-02 1.132e-02 1.559e-02 / CHEB/ -1.040e-01 -2.998e-02 -1.053e-02 6.508e-03 /

328.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.2	+5.6	+6.0	+5.9
log₁₀(k(10 bar)/[mole,m,s])	+2.2	+4.9	+5.6	+5.7

Chebyshev(coeffs=[[9.52726,-1.40965,-0.0826406,0.0167924],[2.39565,0.702281,-0.164683,-0.027593],[0.0961389,0.340218,0.0111196,-0.0316931],[-0.17146,0.0503107,0.0533417,-0.0114763],[-0.101841,-0.0319328,0.0331382,0.00853302],[-0.0233891,-0.0191069,0.000968061,0.00772178]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.16
S298 (cal/mol*K) = -17.34
G298 (kcal/mol) = -21.99

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(78); H(25), C7H10(78); C7H9(5)+H(25)(+M)=>C7H10(78)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.527e+00 -1.410e+00 -8.264e-02 1.679e-02 / CHEB/ 2.396e+00 7.023e-01 -1.647e-01 -2.759e-02 / CHEB/ 9.614e-02 3.402e-01 1.112e-02 -3.169e-02 / CHEB/ -1.715e-01 5.031e-02 5.334e-02 -1.148e-02 / CHEB/ -1.018e-01 -3.193e-02 3.314e-02 8.533e-03 / CHEB/ -2.339e-02 -1.911e-02 9.681e-04 7.722e-03 /

329.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.2	+5.6	+5.7	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+3.9	+5.3	+5.6	+5.4

Chebyshev(coeffs=[[10.3381,-0.230843,-0.154006,-0.016406],[0.993733,0.345427,-0.178339,0.0551992],[0.0351491,0.276285,-0.0292343,-0.0385286],[-0.139718,0.125512,0.0437505,-0.0257791],[-0.143758,0.0764343,0.042436,0.0111012],[-0.109007,0.0514766,0.0134492,0.0113737]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.08
S298 (cal/mol*K) = -10.24
G298 (kcal/mol) = -66.03

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(79); H(25), C7H10(79); C7H9(5)+H(25)(+M)=>C7H10(79)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.034e+01 -2.308e-01 -1.540e-01 -1.641e-02 / CHEB/ 9.937e-01 3.454e-01 -1.783e-01 5.520e-02 / CHEB/ 3.515e-02 2.763e-01 -2.923e-02 -3.853e-02 / CHEB/ -1.397e-01 1.255e-01 4.375e-02 -2.578e-02 / CHEB/ -1.438e-01 7.643e-02 4.244e-02 1.110e-02 / CHEB/ -1.090e-01 5.148e-02 1.345e-02 1.137e-02 /

330.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+5.3	+5.5	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+3.6	+4.9	+5.3	+5.2

Chebyshev(coeffs=[[10.0956,-0.342363,-0.126363,-0.0255647],[0.978795,0.347847,-0.240812,0.0763412],[-0.0154077,0.345912,-0.089131,-0.0415318],[-0.158452,0.164375,0.0214376,-0.0441179],[-0.126205,0.0798251,0.0384639,-0.000535279],[-0.0757647,0.0407905,0.0116782,0.0101442]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -53.20
S298 (cal/mol*K) = -7.20
G298 (kcal/mol) = -51.05

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(80); H(25), C7H10(80); C7H9(5)+H(25)(+M)=>C7H10(80)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.010e+01 -3.424e-01 -1.264e-01 -2.556e-02 / CHEB/ 9.788e-01 3.478e-01 -2.408e-01 7.634e-02 / CHEB/ -1.541e-02 3.459e-01 -8.913e-02 -4.153e-02 / CHEB/ -1.585e-01 1.644e-01 2.144e-02 -4.412e-02 / CHEB/ -1.262e-01 7.983e-02 3.846e-02 -5.353e-04 / CHEB/ -7.576e-02 4.079e-02 1.168e-02 1.014e-02 /

331.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.6	-3.7	+1.0	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-19.1	-3.9	+0.9	+3.1

Chebyshev(coeffs=[[-11.5891,-0.598281,-0.243722,-0.0323728],[20.8867,0.413852,0.115478,-0.0274096],[0.00652053,0.110027,0.0565548,0.0110282],[-0.0915328,-0.0202142,0.00905476,0.0140184],[-0.0580356,-0.00982965,-0.00252255,0.00355294],[-0.0333841,3.67081e-05,-0.00199143,-0.00082737]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.84
S298 (cal/mol*K) = 32.11
G298 (kcal/mol) = 49.28

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(81); H(25), CH2(T)(82); C7H9(5)+H(25)(+M)=>CH2(T)(82)+C6H8(81)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.159e+01 -5.983e-01 -2.437e-01 -3.237e-02 / CHEB/ 2.089e+01 4.139e-01 1.155e-01 -2.741e-02 / CHEB/ 6.521e-03 1.100e-01 5.655e-02 1.103e-02 / CHEB/ -9.153e-02 -2.021e-02 9.055e-03 1.402e-02 / CHEB/ -5.804e-02 -9.830e-03 -2.523e-03 3.553e-03 / CHEB/ -3.338e-02 3.671e-05 -1.991e-03 -8.274e-04 /

332.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-41.9	-15.0	-6.4	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-42.0	-15.1	-6.4	-2.3

Chebyshev(coeffs=[[-33.8214,-0.194662,-0.118904,-0.0515444],[37.8998,0.127211,0.0724463,0.0262901],[-0.119709,0.0391843,0.024095,0.0105606],[-0.139946,-0.0129847,-0.00532756,0.000168044],[-0.0759205,0.000483229,-2.51812e-05,-0.000270421],[-0.0347381,0.00142721,0.000525096,-9.31451e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 114.25
S298 (cal/mol*K) = 38.24
G298 (kcal/mol) = 102.86

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(83); H(25), CH2(T)(82); C7H9(5)+H(25)(+M)=>C6H8(83)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.382e+01 -1.947e-01 -1.189e-01 -5.154e-02 / CHEB/ 3.790e+01 1.272e-01 7.245e-02 2.629e-02 / CHEB/ -1.197e-01 3.918e-02 2.409e-02 1.056e-02 / CHEB/ -1.399e-01 -1.298e-02 -5.328e-03 1.680e-04 / CHEB/ -7.592e-02 4.832e-04 -2.518e-05 -2.704e-04 / CHEB/ -3.474e-02 1.427e-03 5.251e-04 -9.315e-05 /

333.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.2	-2.0	+2.0	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-14.9	-2.3	+1.9	+3.9

Chebyshev(coeffs=[[-7.16148,-0.938098,-0.203972,0.0201709],[16.8337,0.790019,0.0285463,-0.0949532],[0.324756,0.0311482,0.0737704,0.0175722],[-0.0541056,0.00752295,0.0299287,0.0124911],[-0.0407388,-0.0108364,-0.00290162,0.00846052],[-0.0224697,-0.00902689,-0.00307359,0.00199528]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.90
S298 (cal/mol*K) = 23.63
G298 (kcal/mol) = 40.86

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(84); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(84)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.161e+00 -9.381e-01 -2.040e-01 2.017e-02 / CHEB/ 1.683e+01 7.900e-01 2.855e-02 -9.495e-02 / CHEB/ 3.248e-01 3.115e-02 7.377e-02 1.757e-02 / CHEB/ -5.411e-02 7.523e-03 2.993e-02 1.249e-02 / CHEB/ -4.074e-02 -1.084e-02 -2.902e-03 8.461e-03 / CHEB/ -2.247e-02 -9.027e-03 -3.074e-03 1.995e-03 /

334.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.7	-2.1	+0.7	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-2.9	+0.5	+2.3

Chebyshev(coeffs=[[-2.75181,-1.96143,-0.238117,0.0344445],[10.0699,1.31131,-0.0420575,-0.0767941],[0.778393,0.567047,0.154226,-0.012482],[0.0942205,0.12833,0.0808919,0.0110544],[0.0213438,-0.0330087,0.0063875,0.00410855],[0.0456444,-0.0844421,-0.0235121,-0.00185674]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.82
S298 (cal/mol*K) = 5.40
G298 (kcal/mol) = 16.21

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(85); H(25), C7H10(85); C7H9(5)+H(25)(+M)=>C7H10(85)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.752e+00 -1.961e+00 -2.381e-01 3.444e-02 / CHEB/ 1.007e+01 1.311e+00 -4.206e-02 -7.679e-02 / CHEB/ 7.784e-01 5.670e-01 1.542e-01 -1.248e-02 / CHEB/ 9.422e-02 1.283e-01 8.089e-02 1.105e-02 / CHEB/ 2.134e-02 -3.301e-02 6.387e-03 4.109e-03 / CHEB/ 4.564e-02 -8.444e-02 -2.351e-02 -1.857e-03 /

335.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-2.5	+0.5	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-3.2	+0.3	+2.4

Chebyshev(coeffs=[[-2.56742,-1.9244,-0.227131,0.0349404],[9.64423,1.33954,-0.0445424,-0.0799533],[0.832542,0.571308,0.158104,-0.0131066],[0.224084,0.111079,0.0799614,0.011047],[0.125307,-0.0522149,-0.00018962,0.00299509],[0.0654689,-0.109076,-0.0294548,-0.000326673]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.82
S298 (cal/mol*K) = 5.40
G298 (kcal/mol) = 16.21

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(86); H(25), C7H10(86); C7H9(5)+H(25)(+M)=>C7H10(86)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.567e+00 -1.924e+00 -2.271e-01 3.494e-02 / CHEB/ 9.644e+00 1.340e+00 -4.454e-02 -7.995e-02 / CHEB/ 8.325e-01 5.713e-01 1.581e-01 -1.311e-02 / CHEB/ 2.241e-01 1.111e-01 7.996e-02 1.105e-02 / CHEB/ 1.253e-01 -5.221e-02 -1.896e-04 2.995e-03 / CHEB/ 6.547e-02 -1.091e-01 -2.945e-02 -3.267e-04 /

336.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	+0.6	+2.3	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-0.6	+1.7	+2.5

Chebyshev(coeffs=[[-0.930742,-2.65485,-0.135161,0.0367271],[10.0165,1.50301,-0.218077,-0.0451341],[0.0729426,0.784902,0.12389,-0.031989],[-0.433242,0.1729,0.12313,-0.000533993],[-0.206767,-0.0101397,0.0401608,0.0107714],[-0.0259777,0.00205378,-0.00375263,0.00432085]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.82
S298 (cal/mol*K) = 5.40
G298 (kcal/mol) = 16.21

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(87); H(25), C7H10(87); C7H9(5)+H(25)(+M)=>C7H10(87)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.307e-01 -2.655e+00 -1.352e-01 3.673e-02 / CHEB/ 1.002e+01 1.503e+00 -2.181e-01 -4.513e-02 / CHEB/ 7.294e-02 7.849e-01 1.239e-01 -3.199e-02 / CHEB/ -4.332e-01 1.729e-01 1.231e-01 -5.340e-04 / CHEB/ -2.068e-01 -1.014e-02 4.016e-02 1.077e-02 / CHEB/ -2.598e-02 2.054e-03 -3.753e-03 4.321e-03 /

337.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.5	+1.9	+4.1	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-5.3	+1.6	+4.0	+5.1

Chebyshev(coeffs=[[2.16898,-0.984185,-0.184688,0.0110959],[8.58911,0.818455,0.0759312,-0.0497256],[0.43677,0.201866,0.0746012,0.00951911],[-0.00759284,-0.0252518,0.0170817,0.0153267],[-0.0531889,-0.0485959,-0.0100101,0.00193106],[-0.0204433,-0.0249685,-0.00862314,-0.00348111]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.02
S298 (cal/mol*K) = 4.98
G298 (kcal/mol) = 18.54

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(88); H(25), C7H10(88); C7H9(5)+H(25)(+M)=>C7H10(88)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.169e+00 -9.842e-01 -1.847e-01 1.110e-02 / CHEB/ 8.589e+00 8.185e-01 7.593e-02 -4.973e-02 / CHEB/ 4.368e-01 2.019e-01 7.460e-02 9.519e-03 / CHEB/ -7.593e-03 -2.525e-02 1.708e-02 1.533e-02 / CHEB/ -5.319e-02 -4.860e-02 -1.001e-02 1.931e-03 / CHEB/ -2.044e-02 -2.497e-02 -8.623e-03 -3.481e-03 /

338.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.2	+4.9	+5.8	+6.4
log₁₀(k(10 bar)/[mole,m,s])	+3.2	+4.8	+5.7	+6.3

Chebyshev(coeffs=[[9.67719,-0.12884,0.0193705,-0.019233],[2.20718,-0.142082,0.028241,-0.00622389],[0.343682,-0.0192397,-0.0287923,0.0129455],[0.0486476,0.0716904,-0.0533148,0.0194275],[-0.00421386,0.0778978,-0.0351658,0.00712619],[0.0122921,0.0348705,-0.000105687,-0.0070919]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.95
S298 (cal/mol*K) = -4.41
G298 (kcal/mol) = -17.63

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(89); H(25), C7H10(89); C7H9(5)+H(25)(+M)=>C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.677e+00 -1.288e-01 1.937e-02 -1.923e-02 / CHEB/ 2.207e+00 -1.421e-01 2.824e-02 -6.224e-03 / CHEB/ 3.437e-01 -1.924e-02 -2.879e-02 1.295e-02 / CHEB/ 4.865e-02 7.169e-02 -5.331e-02 1.943e-02 / CHEB/ -4.214e-03 7.790e-02 -3.517e-02 7.126e-03 / CHEB/ 1.229e-02 3.487e-02 -1.057e-04 -7.092e-03 /

339.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+1.5	+3.4	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-4.6	+0.6	+3.0	+4.5

Chebyshev(coeffs=[[3.87973,-1.99483,-0.11373,0.0087237],[5.49904,1.09115,-0.187234,0.00328298],[0.885272,0.669285,0.107024,-0.0639439],[0.0546283,0.190426,0.116972,0.00120762],[0.0448261,0.0073984,0.0212025,0.0136881],[0.060998,-0.0494463,-0.0238545,-0.00538418]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.68
S298 (cal/mol*K) = -2.43
G298 (kcal/mol) = -5.95

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(90); H(25), C7H10(90); C7H9(5)+H(25)(+M)=>C7H10(90)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.880e+00 -1.995e+00 -1.137e-01 8.724e-03 / CHEB/ 5.499e+00 1.091e+00 -1.872e-01 3.283e-03 / CHEB/ 8.853e-01 6.693e-01 1.070e-01 -6.394e-02 / CHEB/ 5.463e-02 1.904e-01 1.170e-01 1.208e-03 / CHEB/ 4.483e-02 7.398e-03 2.120e-02 1.369e-02 / CHEB/ 6.100e-02 -4.945e-02 -2.385e-02 -5.384e-03 /

340.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-1.3	+1.6	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-1.7	+1.4	+2.8

Chebyshev(coeffs=[[-4.00613,-1.06077,-0.155896,0.0146602],[12.8501,0.740534,-0.0496112,-0.0671902],[0.160513,0.160636,0.0523501,-0.0100946],[-0.102042,0.0251103,0.047248,0.00541787],[-0.0616198,-0.020454,0.0133511,0.0105533],[-0.026674,-0.0154816,-0.0023484,0.00535031]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.98
S298 (cal/mol*K) = -0.75
G298 (kcal/mol) = 21.21

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(91); H(25), C7H10(91); C7H9(5)+H(25)(+M)=>C7H10(91)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.006e+00 -1.061e+00 -1.559e-01 1.466e-02 / CHEB/ 1.285e+01 7.405e-01 -4.961e-02 -6.719e-02 / CHEB/ 1.605e-01 1.606e-01 5.235e-02 -1.009e-02 / CHEB/ -1.020e-01 2.511e-02 4.725e-02 5.418e-03 / CHEB/ -6.162e-02 -2.045e-02 1.335e-02 1.055e-02 / CHEB/ -2.667e-02 -1.548e-02 -2.348e-03 5.350e-03 /

341.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.1	+5.2	+5.4	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+3.8	+4.8	+5.3	+5.6

Chebyshev(coeffs=[[10.1936,-0.292306,-0.115237,-0.0402601],[0.828397,0.469444,-0.243096,0.0652422],[0.00523841,0.426019,-0.0910086,-0.0489804],[-0.0790037,0.186268,0.0293055,-0.0510662],[-0.0382489,0.0730645,0.0477434,-0.00377513],[-0.0174884,0.040366,0.0131935,0.00988917]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -53.20
S298 (cal/mol*K) = -7.20
G298 (kcal/mol) = -51.05

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(92); H(25), C7H10(92); C7H9(5)+H(25)(+M)=>C7H10(92)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.019e+01 -2.923e-01 -1.152e-01 -4.026e-02 / CHEB/ 8.284e-01 4.694e-01 -2.431e-01 6.524e-02 / CHEB/ 5.238e-03 4.260e-01 -9.101e-02 -4.898e-02 / CHEB/ -7.900e-02 1.863e-01 2.931e-02 -5.107e-02 / CHEB/ -3.825e-02 7.306e-02 4.774e-02 -3.775e-03 / CHEB/ -1.749e-02 4.037e-02 1.319e-02 9.889e-03 /

342.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.1	+7.2	+6.9	+6.3
log₁₀(k(10 bar)/[mole,m,s])	+5.8	+6.7	+6.8	+6.4

Chebyshev(coeffs=[[12.2043,-0.444817,-0.0564447,-0.0395058],[0.512436,0.276101,-0.182798,0.0917419],[-0.20887,0.389612,-0.101923,-0.0178088],[-0.247635,0.207676,0.00703384,-0.0399132],[-0.147069,0.0672487,0.047342,-0.00577906],[-0.0571642,-0.000254514,0.0237594,0.00978351]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -73.64
S298 (cal/mol*K) = -16.03
G298 (kcal/mol) = -68.86

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(93); H(25), C7H10(93); C7H9(5)+H(25)(+M)=>C7H10(93)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.220e+01 -4.448e-01 -5.644e-02 -3.951e-02 / CHEB/ 5.124e-01 2.761e-01 -1.828e-01 9.174e-02 / CHEB/ -2.089e-01 3.896e-01 -1.019e-01 -1.781e-02 / CHEB/ -2.476e-01 2.077e-01 7.034e-03 -3.991e-02 / CHEB/ -1.471e-01 6.725e-02 4.734e-02 -5.779e-03 / CHEB/ -5.716e-02 -2.545e-04 2.376e-02 9.784e-03 /

343.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	-0.1	+2.9	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-0.5	+2.7	+4.2

Chebyshev(coeffs=[[-2.55329,-1.42536,-0.285288,-0.0177425],[12.5826,1.13027,0.0961439,-0.0231563],[0.29676,0.243421,0.0694488,-0.0213936],[-0.0922195,-0.0368726,0.0312864,0.005313],[-0.0559226,-0.0479723,0.00767894,0.0143892],[-0.00775528,-0.0248516,-0.00652999,0.00502874]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.35
S298 (cal/mol*K) = 26.43
G298 (kcal/mol) = 24.47

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(94); H(25), CH2(T)(82); C7H9(5)+H(25)(+M)=>C6H8(94)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.553e+00 -1.425e+00 -2.853e-01 -1.774e-02 / CHEB/ 1.258e+01 1.130e+00 9.614e-02 -2.316e-02 / CHEB/ 2.968e-01 2.434e-01 6.945e-02 -2.139e-02 / CHEB/ -9.222e-02 -3.687e-02 3.129e-02 5.313e-03 / CHEB/ -5.592e-02 -4.797e-02 7.679e-03 1.439e-02 / CHEB/ -7.755e-03 -2.485e-02 -6.530e-03 5.029e-03 /

344.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-2.5	+1.4	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-14.3	-2.8	+1.3	+3.1

Chebyshev(coeffs=[[-5.2737,-1.66399,-0.236061,0.0275809],[13.3751,1.50812,0.072787,-0.0817009],[1.13536,0.279339,0.073942,-0.0164692],[0.0797327,-0.221449,-0.0125103,0.0127667],[-0.114159,-0.119461,0.00997632,0.0212862],[-0.0553112,0.0457842,0.0281666,0.00956328]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.56
S298 (cal/mol*K) = 1.44
G298 (kcal/mol) = 13.13

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(95); H(25), C7H10(95); C7H9(5)+H(25)(+M)=>C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.274e+00 -1.664e+00 -2.361e-01 2.758e-02 / CHEB/ 1.338e+01 1.508e+00 7.279e-02 -8.170e-02 / CHEB/ 1.135e+00 2.793e-01 7.394e-02 -1.647e-02 / CHEB/ 7.973e-02 -2.214e-01 -1.251e-02 1.277e-02 / CHEB/ -1.142e-01 -1.195e-01 9.976e-03 2.129e-02 / CHEB/ -5.531e-02 4.578e-02 2.817e-02 9.563e-03 /

345.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-1.6	+1.2	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-2.4	+1.1	+2.8

Chebyshev(coeffs=[[-1.53606,-2.4433,-0.00260614,0.0306793],[9.20457,1.58418,-0.204136,-0.0196378],[1.03314,0.961536,0.0743476,-0.0608449],[0.00064788,0.126782,0.0586231,-0.0291353],[-0.0209937,-0.197833,-0.0129869,0.00274613],[0.0548904,-0.172779,-0.0203396,0.0193876]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.36
S298 (cal/mol*K) = 0.34
G298 (kcal/mol) = 4.26

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(96); H(25), C7H10(96); C7H9(5)+H(25)(+M)=>C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.536e+00 -2.443e+00 -2.606e-03 3.068e-02 / CHEB/ 9.205e+00 1.584e+00 -2.041e-01 -1.964e-02 / CHEB/ 1.033e+00 9.615e-01 7.435e-02 -6.084e-02 / CHEB/ 6.479e-04 1.268e-01 5.862e-02 -2.914e-02 / CHEB/ -2.099e-02 -1.978e-01 -1.299e-02 2.746e-03 / CHEB/ 5.489e-02 -1.728e-01 -2.034e-02 1.939e-02 /

346.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	+0.4	+3.0	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-8.2	+0.0	+2.8	+4.0

Chebyshev(coeffs=[[-0.23031,-1.57268,0.11345,-0.0186829],[9.86399,1.3803,-0.363256,-0.047185],[0.573107,-0.0265175,0.0147601,0.0359342],[-0.126197,0.048415,0.125153,-0.0267947],[-0.036381,0.00281696,0.00316221,-0.00923401],[-0.0170121,-0.0358211,0.00403647,0.0216087]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.36
S298 (cal/mol*K) = 0.34
G298 (kcal/mol) = 4.26

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(97); H(25), C7H10(97); C7H9(5)+H(25)(+M)=>C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.303e-01 -1.573e+00 1.135e-01 -1.868e-02 / CHEB/ 9.864e+00 1.380e+00 -3.633e-01 -4.718e-02 / CHEB/ 5.731e-01 -2.652e-02 1.476e-02 3.593e-02 / CHEB/ -1.262e-01 4.842e-02 1.252e-01 -2.679e-02 / CHEB/ -3.638e-02 2.817e-03 3.162e-03 -9.234e-03 / CHEB/ -1.701e-02 -3.582e-02 4.036e-03 2.161e-02 /

347.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	+1.3	+3.4	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-7.7	+0.7	+3.3	+4.4

Chebyshev(coeffs=[[0.507901,-2.04358,0.155781,0.12137],[10.1645,1.73651,-0.146412,-0.0550059],[-0.0441962,0.345029,-0.10618,-0.0775705],[-0.269072,0.0538214,0.0658855,-0.0136154],[-0.0212103,-0.0232518,0.0351964,-0.00470318],[0.0537956,-0.0731421,-0.0135951,0.0151216]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.07
S298 (cal/mol*K) = 31.85
G298 (kcal/mol) = 15.58

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H5(99); H(25), C3H5(98); C7H9(5)+H(25)(+M)=>C4H5(99)+C3H5(98)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.079e-01 -2.044e+00 1.558e-01 1.214e-01 / CHEB/ 1.016e+01 1.737e+00 -1.464e-01 -5.501e-02 / CHEB/ -4.420e-02 3.450e-01 -1.062e-01 -7.757e-02 / CHEB/ -2.691e-01 5.382e-02 6.589e-02 -1.362e-02 / CHEB/ -2.121e-02 -2.325e-02 3.520e-02 -4.703e-03 / CHEB/ 5.380e-02 -7.314e-02 -1.360e-02 1.512e-02 /

348.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+3.1	+4.6	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-5.4	+2.2	+4.2	+4.6

Chebyshev(coeffs=[[3.01788,-2.41932,-0.0484956,-0.00451413],[8.20899,1.50432,-0.187239,-0.00450887],[0.0912624,0.704022,0.0522245,-0.0177708],[-0.436565,0.112325,0.0507302,-0.0338479],[-0.203675,-0.0508391,0.0288789,-0.000442529],[-0.0503025,-0.060903,-0.000956171,0.0171569]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.87
S298 (cal/mol*K) = 32.86
G298 (kcal/mol) = 7.08

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(210); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C5H7(210)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.018e+00 -2.419e+00 -4.850e-02 -4.514e-03 / CHEB/ 8.209e+00 1.504e+00 -1.872e-01 -4.509e-03 / CHEB/ 9.126e-02 7.040e-01 5.222e-02 -1.777e-02 / CHEB/ -4.366e-01 1.123e-01 5.073e-02 -3.385e-02 / CHEB/ -2.037e-01 -5.084e-02 2.888e-02 -4.425e-04 / CHEB/ -5.030e-02 -6.090e-02 -9.562e-04 1.716e-02 /

349.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.0	-4.9	-2.4	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-17.7	-5.6	-2.6	-1.7

Chebyshev(coeffs=[[-9.79656,-2.17308,-0.376607,0.0320452],[15.1856,1.6392,0.0616156,-0.0912635],[-0.419244,0.442156,0.164773,-0.00964707],[-0.453453,-0.0482475,0.0617521,0.0212388],[-0.18941,-0.0773845,-0.0103412,0.013233],[-0.0462246,-0.0177954,-0.0171469,-0.000421757]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.12
S298 (cal/mol*K) = 23.78
G298 (kcal/mol) = 40.03

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(101); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(101)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.797e+00 -2.173e+00 -3.766e-01 3.205e-02 / CHEB/ 1.519e+01 1.639e+00 6.162e-02 -9.126e-02 / CHEB/ -4.192e-01 4.422e-01 1.648e-01 -9.647e-03 / CHEB/ -4.535e-01 -4.825e-02 6.175e-02 2.124e-02 / CHEB/ -1.894e-01 -7.738e-02 -1.034e-02 1.323e-02 / CHEB/ -4.622e-02 -1.780e-02 -1.715e-02 -4.218e-04 /

350.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.0	-4.9	-2.4	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-17.7	-5.6	-2.6	-1.7

H298 (kcal/mol) = 47.12
S298 (cal/mol*K) = 23.78
G298 (kcal/mol) = 40.03

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(102); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(102)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.797e+00 -2.173e+00 -3.766e-01 3.205e-02 / CHEB/ 1.519e+01 1.639e+00 6.162e-02 -9.126e-02 / CHEB/ -4.192e-01 4.422e-01 1.648e-01 -9.647e-03 / CHEB/ -4.535e-01 -4.825e-02 6.175e-02 2.124e-02 / CHEB/ -1.894e-01 -7.738e-02 -1.034e-02 1.323e-02 / CHEB/ -4.622e-02 -1.780e-02 -1.715e-02 -4.218e-04 /

351.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.8	-3.0	-0.2	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-3.4	-0.3	+0.6

Chebyshev(coeffs=[[-8.8295,-1.79874,-0.442768,0.00911919],[16.7849,1.49881,0.198356,-0.0855905],[-0.657805,0.295454,0.162424,0.014649],[-0.455207,-0.0902974,0.026676,0.0276657],[-0.169898,-0.0665923,-0.0238004,0.00612807],[-0.0416882,-0.00653926,-0.0136789,-0.00462651]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 55.27
S298 (cal/mol*K) = 39.79
G298 (kcal/mol) = 43.42

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(103); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C5H7(103)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.829e+00 -1.799e+00 -4.428e-01 9.119e-03 / CHEB/ 1.678e+01 1.499e+00 1.984e-01 -8.559e-02 / CHEB/ -6.578e-01 2.955e-01 1.624e-01 1.465e-02 / CHEB/ -4.552e-01 -9.030e-02 2.668e-02 2.767e-02 / CHEB/ -1.699e-01 -6.659e-02 -2.380e-02 6.128e-03 / CHEB/ -4.169e-02 -6.539e-03 -1.368e-02 -4.627e-03 /

352.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-1.9	+0.2	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-13.9	-2.8	-0.2	+0.5

Chebyshev(coeffs=[[-5.63278,-2.44085,-0.296656,0.0401449],[13.2465,1.65293,-0.0626394,-0.0810394],[-0.287813,0.559992,0.14858,-0.0232894],[-0.484407,0.00824317,0.0833065,0.0109781],[-0.224111,-0.0746435,0.00454985,0.0144981],[-0.0585197,-0.0254334,-0.016397,0.00313466]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.92
S298 (cal/mol*K) = 22.68
G298 (kcal/mol) = 31.16

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(104); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(104)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.633e+00 -2.441e+00 -2.967e-01 4.014e-02 / CHEB/ 1.325e+01 1.653e+00 -6.264e-02 -8.104e-02 / CHEB/ -2.878e-01 5.600e-01 1.486e-01 -2.329e-02 / CHEB/ -4.844e-01 8.243e-03 8.331e-02 1.098e-02 / CHEB/ -2.241e-01 -7.464e-02 4.550e-03 1.450e-02 / CHEB/ -5.852e-02 -2.543e-02 -1.640e-02 3.135e-03 /

353.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.6	-1.4	+1.6	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-12.9	-2.1	+1.2	+2.7

Chebyshev(coeffs=[[-4.799,-1.91344,-0.148938,0.0218875],[13.7401,1.27295,-0.137192,-0.0348238],[0.0939422,0.339563,0.0752687,-0.0264021],[-0.173701,0.0383451,0.0773183,-0.00563672],[-0.0634593,0.0104222,0.0294308,0.0103838],[-0.0173805,0.0251889,0.000422283,0.00561527]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.92
S298 (cal/mol*K) = 22.68
G298 (kcal/mol) = 31.16

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(105); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(105)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.799e+00 -1.913e+00 -1.489e-01 2.189e-02 / CHEB/ 1.374e+01 1.273e+00 -1.372e-01 -3.482e-02 / CHEB/ 9.394e-02 3.396e-01 7.527e-02 -2.640e-02 / CHEB/ -1.737e-01 3.835e-02 7.732e-02 -5.637e-03 / CHEB/ -6.346e-02 1.042e-02 2.943e-02 1.038e-02 / CHEB/ -1.738e-02 2.519e-02 4.223e-04 5.615e-03 /

354.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.8	-4.4	-1.7	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-17.5	-5.0	-1.9	-0.9

Chebyshev(coeffs=[[-9.61752,-2.0969,-0.393557,0.0283146],[15.7835,1.61982,0.0920818,-0.0918361],[-0.41983,0.410434,0.166738,-0.00509445],[-0.437465,-0.0599552,0.0548985,0.0234561],[-0.179068,-0.0762248,-0.0138751,0.012202],[-0.0429171,-0.0153991,-0.0168253,-0.00144667]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.32
S298 (cal/mol*K) = 23.36
G298 (kcal/mol) = 42.36

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(106); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(106)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.618e+00 -2.097e+00 -3.936e-01 2.831e-02 / CHEB/ 1.578e+01 1.620e+00 9.208e-02 -9.184e-02 / CHEB/ -4.198e-01 4.104e-01 1.667e-01 -5.094e-03 / CHEB/ -4.375e-01 -5.996e-02 5.490e-02 2.346e-02 / CHEB/ -1.791e-01 -7.622e-02 -1.388e-02 1.220e-02 / CHEB/ -4.292e-02 -1.540e-02 -1.683e-02 -1.447e-03 /

355.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-3.3	+0.4	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-14.7	-3.4	+0.4	+2.2

Chebyshev(coeffs=[[-7.58372,-0.326901,0.0250075,-0.0414535],[15.7937,0.28379,-0.0663384,0.0499673],[0.0240105,0.0490554,0.0136814,-0.0117434],[-0.0427672,-0.0225037,0.0129463,-0.00751715],[-0.00542846,-0.0162098,0.00525456,0.00439156],[-0.00121854,0.000358822,-0.00264601,0.00268671]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.32
S298 (cal/mol*K) = 23.36
G298 (kcal/mol) = 42.36

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(107); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(107)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.584e+00 -3.269e-01 2.501e-02 -4.145e-02 / CHEB/ 1.579e+01 2.838e-01 -6.634e-02 4.997e-02 / CHEB/ 2.401e-02 4.906e-02 1.368e-02 -1.174e-02 / CHEB/ -4.277e-02 -2.250e-02 1.295e-02 -7.517e-03 / CHEB/ -5.428e-03 -1.621e-02 5.255e-03 4.392e-03 / CHEB/ -1.219e-03 3.588e-04 -2.646e-03 2.687e-03 /

356.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+4.9	+5.2	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+2.2	+5.0	+5.7	+5.5

Chebyshev(coeffs=[[8.83319,0.236909,-0.0823251,-0.00870549],[2.14316,0.665184,-0.115104,0.0019474],[0.199298,0.442645,-0.0278973,-0.0110818],[-0.23282,0.184439,0.0202203,-0.0093837],[-0.231821,0.0353834,0.0314116,-0.00273919],[-0.124186,-0.0169111,0.0203531,0.00190499]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.99
S298 (cal/mol*K) = -3.17
G298 (kcal/mol) = -18.04

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(108); H(25), C7H10(108); C7H9(5)+H(25)(+M)=>C7H10(108)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.833e+00 2.369e-01 -8.233e-02 -8.705e-03 / CHEB/ 2.143e+00 6.652e-01 -1.151e-01 1.947e-03 / CHEB/ 1.993e-01 4.426e-01 -2.790e-02 -1.108e-02 / CHEB/ -2.328e-01 1.844e-01 2.022e-02 -9.384e-03 / CHEB/ -2.318e-01 3.538e-02 3.141e-02 -2.739e-03 / CHEB/ -1.242e-01 -1.691e-02 2.035e-02 1.905e-03 /

357.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.2	+0.9	+2.6	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-9.0	-0.2	+2.0	+2.6

Chebyshev(coeffs=[[-0.446952,-2.62219,-0.121954,0.0399678],[9.84194,1.44117,-0.236414,-0.0411805],[-0.0134801,0.667452,0.0738228,-0.039942],[-0.45431,0.122271,0.100854,-0.00651187],[-0.204395,-0.0164952,0.0434539,0.014447],[-0.0351231,-0.013043,-0.00348629,0.0093826]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.64
S298 (cal/mol*K) = 7.32
G298 (kcal/mol) = 15.46

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(109); H(25), C7H10(109); C7H9(5)+H(25)(+M)=>C7H10(109)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.470e-01 -2.622e+00 -1.220e-01 3.997e-02 / CHEB/ 9.842e+00 1.441e+00 -2.364e-01 -4.118e-02 / CHEB/ -1.348e-02 6.675e-01 7.382e-02 -3.994e-02 / CHEB/ -4.543e-01 1.223e-01 1.009e-01 -6.512e-03 / CHEB/ -2.044e-01 -1.650e-02 4.345e-02 1.445e-02 / CHEB/ -3.512e-02 -1.304e-02 -3.486e-03 9.383e-03 /

358.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-1.4	+1.7	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-1.7	+1.6	+3.0

Chebyshev(coeffs=[[-4.19892,-1.52635,-0.0978551,-0.0345334],[12.8691,1.46968,-0.0916646,0.00485782],[0.753324,0.143986,0.110309,-0.000410799],[-0.298605,-0.136467,0.0759595,0.00121776],[-0.156997,-0.00193888,-0.00605243,0.00980548],[-0.0155235,-0.000963687,-0.0328553,0.00755166]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.45
S298 (cal/mol*K) = 1.21
G298 (kcal/mol) = 4.09

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(110); H(25), C7H10(110); C7H9(5)+H(25)(+M)=>C7H10(110)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.199e+00 -1.526e+00 -9.786e-02 -3.453e-02 / CHEB/ 1.287e+01 1.470e+00 -9.166e-02 4.858e-03 / CHEB/ 7.533e-01 1.440e-01 1.103e-01 -4.108e-04 / CHEB/ -2.986e-01 -1.365e-01 7.596e-02 1.218e-03 / CHEB/ -1.570e-01 -1.939e-03 -6.052e-03 9.805e-03 / CHEB/ -1.552e-02 -9.637e-04 -3.286e-02 7.552e-03 /

359.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-0.4	+2.0	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-1.4	+1.8	+3.4

Chebyshev(coeffs=[[-1.09247,-2.52397,-0.0241512,0.0642129],[10.0498,1.74805,-0.0745935,0.0238208],[0.543189,0.877345,0.093897,-0.05892],[-0.163923,0.128637,0.0417206,-0.0535503],[-0.0541602,-0.109515,-0.018406,-0.0117604],[0.0770929,-0.0861857,-0.0281911,0.0150935]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.84
S298 (cal/mol*K) = 6.90
G298 (kcal/mol) = 17.79

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(111); H(25), C7H10(111); C7H9(5)+H(25)(+M)=>C7H10(111)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.092e+00 -2.524e+00 -2.415e-02 6.421e-02 / CHEB/ 1.005e+01 1.748e+00 -7.459e-02 2.382e-02 / CHEB/ 5.432e-01 8.773e-01 9.390e-02 -5.892e-02 / CHEB/ -1.639e-01 1.286e-01 4.172e-02 -5.355e-02 / CHEB/ -5.416e-02 -1.095e-01 -1.841e-02 -1.176e-02 / CHEB/ 7.709e-02 -8.619e-02 -2.819e-02 1.509e-02 /

360.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	+0.9	+2.4	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-0.0	+1.9	+2.5

Chebyshev(coeffs=[[0.821679,-1.99914,-0.24637,0.0288467],[8.00153,1.05156,-0.115796,-0.0904758],[0.27288,0.501647,0.106798,-0.00934628],[-0.34876,0.124651,0.0716302,0.0195541],[-0.207689,0.00373962,0.0262475,0.00624999],[-0.0397466,-0.00508623,0.00490643,-0.00218099]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.91
S298 (cal/mol*K) = 3.16
G298 (kcal/mol) = 9.97

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(112); H(25), C7H10(112); C7H9(5)+H(25)(+M)=>C7H10(112)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.217e-01 -1.999e+00 -2.464e-01 2.885e-02 / CHEB/ 8.002e+00 1.052e+00 -1.158e-01 -9.048e-02 / CHEB/ 2.729e-01 5.016e-01 1.068e-01 -9.346e-03 / CHEB/ -3.488e-01 1.247e-01 7.163e-02 1.955e-02 / CHEB/ -2.077e-01 3.740e-03 2.625e-02 6.250e-03 / CHEB/ -3.975e-02 -5.086e-03 4.906e-03 -2.181e-03 /

361.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	-0.3	+1.1	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-1.6	+0.5	+1.6

Chebyshev(coeffs=[[1.60339,-2.21393,-0.0950675,0.00372012],[5.56325,0.894008,-0.206197,-0.0138311],[0.6166,0.676584,0.057355,-0.0478666],[-0.172255,0.319868,0.0800685,0.00926468],[-0.0993641,0.128172,0.0391979,0.00922405],[0.0206324,0.0336006,0.0150476,-0.00562151]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.32
S298 (cal/mol*K) = -1.82
G298 (kcal/mol) = 2.87

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(113); H(25), C7H10(113); C7H9(5)+H(25)(+M)=>C7H10(113)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.603e+00 -2.214e+00 -9.507e-02 3.720e-03 / CHEB/ 5.563e+00 8.940e-01 -2.062e-01 -1.383e-02 / CHEB/ 6.166e-01 6.766e-01 5.735e-02 -4.787e-02 / CHEB/ -1.723e-01 3.199e-01 8.007e-02 9.265e-03 / CHEB/ -9.936e-02 1.282e-01 3.920e-02 9.224e-03 / CHEB/ 2.063e-02 3.360e-02 1.505e-02 -5.622e-03 /

362.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.2	+3.8	+4.5	+4.6
log₁₀(k(10 bar)/[mole,m,s])	+0.9	+4.7	+5.5	+5.5

Chebyshev(coeffs=[[6.59042,1.5947,-0.0240443,-0.0284751],[4.32533,0.242836,-0.0586949,0.0264078],[0.0456833,0.083412,0.0508336,-0.0182177],[-0.176233,-0.0482611,0.0341162,0.0157854],[-0.130528,-0.0308547,-0.00687077,0.0157291],[-0.0438679,-0.00463211,-0.014257,-0.00109852]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.05
S298 (cal/mol*K) = 1.96
G298 (kcal/mol) = -0.53

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(114); H(25), C7H10(114); C7H9(5)+H(25)(+M)=>C7H10(114)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.590e+00 1.595e+00 -2.404e-02 -2.848e-02 / CHEB/ 4.325e+00 2.428e-01 -5.869e-02 2.641e-02 / CHEB/ 4.568e-02 8.341e-02 5.083e-02 -1.822e-02 / CHEB/ -1.762e-01 -4.826e-02 3.412e-02 1.579e-02 / CHEB/ -1.305e-01 -3.085e-02 -6.871e-03 1.573e-02 / CHEB/ -4.387e-02 -4.632e-03 -1.426e-02 -1.099e-03 /

363.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+4.3	+5.7	+5.9
log₁₀(k(10 bar)/[mole,m,s])	-2.1	+3.5	+5.3	+5.8

Chebyshev(coeffs=[[6.03242,-1.6406,-0.0430098,0.0138504],[5.79463,0.857112,-0.120708,0.0127813],[0.480931,0.48362,0.0124303,-0.0250145],[-0.205722,0.167855,0.0545775,-0.015256],[-0.172033,0.0159742,0.0368852,-0.00454884],[-0.0578146,-0.0245693,0.010231,0.000848985]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.65
S298 (cal/mol*K) = 0.79
G298 (kcal/mol) = 6.42

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(115); H(25), C7H10(115); C7H9(5)+H(25)(+M)=>C7H10(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.032e+00 -1.641e+00 -4.301e-02 1.385e-02 / CHEB/ 5.795e+00 8.571e-01 -1.207e-01 1.278e-02 / CHEB/ 4.809e-01 4.836e-01 1.243e-02 -2.501e-02 / CHEB/ -2.057e-01 1.679e-01 5.458e-02 -1.526e-02 / CHEB/ -1.720e-01 1.597e-02 3.689e-02 -4.549e-03 / CHEB/ -5.781e-02 -2.457e-02 1.023e-02 8.490e-04 /

364.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-0.9	+0.8	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-2.3	+0.2	+1.6

Chebyshev(coeffs=[[-0.602698,-2.61843,-0.0338401,0.0214339],[7.86199,1.23579,-0.2726,-0.00807238],[0.54055,0.953312,0.082455,-0.0438497],[-0.265708,0.331333,0.136307,-0.0101187],[-0.0965408,0.0569845,0.0559983,0.0031026],[0.0622892,0.0247768,-0.00642178,-0.00454149]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.71
S298 (cal/mol*K) = 2.06
G298 (kcal/mol) = 1.10

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(116); H(25), C7H10(116); C7H9(5)+H(25)(+M)=>C7H10(116)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.027e-01 -2.618e+00 -3.384e-02 2.143e-02 / CHEB/ 7.862e+00 1.236e+00 -2.726e-01 -8.072e-03 / CHEB/ 5.405e-01 9.533e-01 8.246e-02 -4.385e-02 / CHEB/ -2.657e-01 3.313e-01 1.363e-01 -1.012e-02 / CHEB/ -9.654e-02 5.698e-02 5.600e-02 3.103e-03 / CHEB/ 6.229e-02 2.478e-02 -6.422e-03 -4.541e-03 /

365.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	-0.6	+0.9	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-1.7	+0.3	+1.4

Chebyshev(coeffs=[[1.10593,-2.05239,-0.142835,0.0128741],[5.82397,1.03371,-0.202568,-0.0283945],[0.623921,0.60389,0.114146,-0.0493943],[-0.148108,0.204836,0.113286,0.0181554],[-0.08584,0.0766169,0.0379792,0.0172033],[0.0226018,0.0377526,0.00682614,-0.00614672]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.85
S298 (cal/mol*K) = -2.22
G298 (kcal/mol) = 2.52

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(117); H(25), C7H10(117); C7H9(5)+H(25)(+M)=>C7H10(117)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.106e+00 -2.052e+00 -1.428e-01 1.287e-02 / CHEB/ 5.824e+00 1.034e+00 -2.026e-01 -2.839e-02 / CHEB/ 6.239e-01 6.039e-01 1.141e-01 -4.939e-02 / CHEB/ -1.481e-01 2.048e-01 1.133e-01 1.816e-02 / CHEB/ -8.584e-02 7.662e-02 3.798e-02 1.720e-02 / CHEB/ 2.260e-02 3.775e-02 6.826e-03 -6.147e-03 /

366.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+0.6	+2.5	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-0.4	+2.0	+3.6

Chebyshev(coeffs=[[2.27371,-2.03983,-0.137609,0.0295713],[6.39735,1.09328,-0.17337,-0.03169],[0.759095,0.602873,0.125924,-0.0468586],[0.0364485,0.181787,0.0997639,0.00821101],[0.0364957,0.0411676,0.0154095,0.00548273],[0.0559517,-0.0021177,-0.0192145,-0.011258]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.71
S298 (cal/mol*K) = 2.06
G298 (kcal/mol) = 1.10

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(118); H(25), C7H10(118); C7H9(5)+H(25)(+M)=>C7H10(118)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.274e+00 -2.040e+00 -1.376e-01 2.957e-02 / CHEB/ 6.397e+00 1.093e+00 -1.734e-01 -3.169e-02 / CHEB/ 7.591e-01 6.029e-01 1.259e-01 -4.686e-02 / CHEB/ 3.645e-02 1.818e-01 9.976e-02 8.211e-03 / CHEB/ 3.650e-02 4.117e-02 1.541e-02 5.483e-03 / CHEB/ 5.595e-02 -2.118e-03 -1.921e-02 -1.126e-02 /

367.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	+0.6	+2.9	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-0.0	+2.6	+3.9

Chebyshev(coeffs=[[2.07722,-1.65692,-0.0393246,0.0352655],[6.78647,1.05182,-0.185423,-0.0668029],[1.05914,0.38126,-0.000282034,-0.0622616],[0.00486596,0.0676025,0.04838,0.0173828],[-0.0918863,-0.0237208,0.0244253,0.015621],[-0.00291105,-0.0505096,0.0081805,-0.000254044]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.05
S298 (cal/mol*K) = -2.64
G298 (kcal/mol) = 4.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(119); H(25), C7H10(119); C7H9(5)+H(25)(+M)=>C7H10(119)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.077e+00 -1.657e+00 -3.932e-02 3.527e-02 / CHEB/ 6.786e+00 1.052e+00 -1.854e-01 -6.680e-02 / CHEB/ 1.059e+00 3.813e-01 -2.820e-04 -6.226e-02 / CHEB/ 4.866e-03 6.760e-02 4.838e-02 1.738e-02 / CHEB/ -9.189e-02 -2.372e-02 2.443e-02 1.562e-02 / CHEB/ -2.911e-03 -5.051e-02 8.180e-03 -2.540e-04 /

368.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-0.9	+2.2	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-10.3	-1.4	+2.0	+3.6

Chebyshev(coeffs=[[-1.57244,-1.77366,0.118428,0.00532029],[10.2867,1.32084,-0.319795,-0.0584774],[0.834554,0.435135,-0.00921217,-0.0131054],[0.0355811,0.00454905,0.0675128,-0.00331361],[0.00318576,-0.11193,0.0428882,0.0127845],[0.00493109,-0.0677533,0.00762801,0.0112161]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.11
S298 (cal/mol*K) = 2.74
G298 (kcal/mol) = 12.30

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(120); H(25), C7H10(120); C7H9(5)+H(25)(+M)=>C7H10(120)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.572e+00 -1.774e+00 1.184e-01 5.320e-03 / CHEB/ 1.029e+01 1.321e+00 -3.198e-01 -5.848e-02 / CHEB/ 8.346e-01 4.351e-01 -9.212e-03 -1.311e-02 / CHEB/ 3.558e-02 4.549e-03 6.751e-02 -3.314e-03 / CHEB/ 3.186e-03 -1.119e-01 4.289e-02 1.278e-02 / CHEB/ 4.931e-03 -6.775e-02 7.628e-03 1.122e-02 /

369.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.2	+5.9	+5.1	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+5.2	+6.1	+5.5	+4.6

Chebyshev(coeffs=[[10.7852,0.395331,-0.131176,0.00352067],[0.270061,0.636434,-0.144602,-0.00330183],[-0.623929,0.297297,-0.0241427,-0.023171],[-0.367061,0.0579025,0.0335486,-0.0135684],[-0.176105,-0.03863,0.0305308,0.00121703],[-0.080866,-0.0403574,0.00856463,0.00710997]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -71.20
S298 (cal/mol*K) = -23.99
G298 (kcal/mol) = -64.05

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(121); H(25), C7H10(121); C7H9(5)+H(25)(+M)=>C7H10(121)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.079e+01 3.953e-01 -1.312e-01 3.521e-03 / CHEB/ 2.701e-01 6.364e-01 -1.446e-01 -3.302e-03 / CHEB/ -6.239e-01 2.973e-01 -2.414e-02 -2.317e-02 / CHEB/ -3.671e-01 5.790e-02 3.355e-02 -1.357e-02 / CHEB/ -1.761e-01 -3.863e-02 3.053e-02 1.217e-03 / CHEB/ -8.087e-02 -4.036e-02 8.565e-03 7.110e-03 /

370.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	+4.6	+6.2	+6.2
log₁₀(k(10 bar)/[mole,m,s])	-5.5	+3.4	+5.6	+5.9

Chebyshev(coeffs=[[3.24952,-2.69063,-0.128764,0.0323298],[9.58809,1.38651,-0.263131,-0.042781],[0.0678015,0.74096,0.0964267,-0.0355916],[-0.51928,0.124005,0.107806,-0.00149235],[-0.280491,-0.0584153,0.0285857,0.0107817],[-0.0832591,-0.0333658,-0.0130271,0.0049159]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.66
S298 (cal/mol*K) = 18.74
G298 (kcal/mol) = 11.08

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(122); H(25), C7H10(122); C7H9(5)+H(25)(+M)=>C7H10(122)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.250e+00 -2.691e+00 -1.288e-01 3.233e-02 / CHEB/ 9.588e+00 1.387e+00 -2.631e-01 -4.278e-02 / CHEB/ 6.780e-02 7.410e-01 9.643e-02 -3.559e-02 / CHEB/ -5.193e-01 1.240e-01 1.078e-01 -1.492e-03 / CHEB/ -2.805e-01 -5.842e-02 2.859e-02 1.078e-02 / CHEB/ -8.326e-02 -3.337e-02 -1.303e-02 4.916e-03 /

371.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	+4.5	+6.1	+6.2
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+3.6	+5.6	+6.0

Chebyshev(coeffs=[[4.52901,-2.00306,-0.241202,0.0282604],[7.83646,1.00631,-0.135898,-0.0909448],[0.359468,0.489566,0.0992617,-0.0147646],[-0.375289,0.112879,0.064044,0.0192958],[-0.239203,-0.011419,0.0193876,0.00431674],[-0.0656277,-0.0191221,-0.000638233,-0.00451981]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.10
S298 (cal/mol*K) = 16.10
G298 (kcal/mol) = 5.30

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(123); H(25), C7H10(123); C7H9(5)+H(25)(+M)=>C7H10(123)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.529e+00 -2.003e+00 -2.412e-01 2.826e-02 / CHEB/ 7.836e+00 1.006e+00 -1.359e-01 -9.094e-02 / CHEB/ 3.595e-01 4.896e-01 9.926e-02 -1.476e-02 / CHEB/ -3.753e-01 1.129e-01 6.404e-02 1.930e-02 / CHEB/ -2.392e-01 -1.142e-02 1.939e-02 4.317e-03 / CHEB/ -6.563e-02 -1.912e-02 -6.382e-04 -4.520e-03 /

372.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	+3.1	+5.8	+7.0
log₁₀(k(10 bar)/[mole,m,s])	-7.2	+2.1	+5.4	+6.8

Chebyshev(coeffs=[[1.90628,-2.53204,-0.0754244,0.0427288],[10.5208,1.59555,-0.204891,-0.0344844],[0.660917,0.732962,0.0634338,-0.0454806],[-0.155945,0.0359636,0.0583434,-0.0151463],[-0.0749226,-0.091286,0.0261162,0.00946538],[0.0221651,-0.0127391,0.0164859,0.0120558]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.83
S298 (cal/mol*K) = 20.49
G298 (kcal/mol) = 10.72

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(124); H(25), C7H10(124); C7H9(5)+H(25)(+M)=>C7H10(124)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.906e+00 -2.532e+00 -7.542e-02 4.273e-02 / CHEB/ 1.052e+01 1.596e+00 -2.049e-01 -3.448e-02 / CHEB/ 6.609e-01 7.330e-01 6.343e-02 -4.548e-02 / CHEB/ -1.559e-01 3.596e-02 5.834e-02 -1.515e-02 / CHEB/ -7.492e-02 -9.129e-02 2.612e-02 9.465e-03 / CHEB/ 2.217e-02 -1.274e-02 1.649e-02 1.206e-02 /

373.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	+1.5	+2.8	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-8.2	+0.2	+2.1	+2.3

Chebyshev(coeffs=[[0.443379,-2.71494,-0.119861,0.031919],[8.95127,1.32997,-0.274067,-0.0390062],[-0.0171113,0.741893,0.0859806,-0.036281],[-0.548807,0.138707,0.107501,-0.00267796],[-0.301372,-0.0515442,0.0315844,0.0103098],[-0.0929822,-0.032481,-0.0117769,0.00488567]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.36
S298 (cal/mol*K) = 20.06
G298 (kcal/mol) = 8.38

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(125); H(25), C7H10(125); C7H9(5)+H(25)(+M)=>C7H10(125)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.434e-01 -2.715e+00 -1.199e-01 3.192e-02 / CHEB/ 8.951e+00 1.330e+00 -2.741e-01 -3.901e-02 / CHEB/ -1.711e-02 7.419e-01 8.598e-02 -3.628e-02 / CHEB/ -5.488e-01 1.387e-01 1.075e-01 -2.678e-03 / CHEB/ -3.014e-01 -5.154e-02 3.158e-02 1.031e-02 / CHEB/ -9.298e-02 -3.248e-02 -1.178e-02 4.886e-03 /

374.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-1.7	-0.1	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-2.8	-0.7	-0.4

Chebyshev(coeffs=[[-3.36777,-2.68963,-0.155273,0.0356143],[10.0442,1.44247,-0.238147,-0.0497948],[-0.0495688,0.708711,0.10341,-0.0336011],[-0.527145,0.108848,0.103856,-0.00107398],[-0.282598,-0.0572841,0.0256453,0.0111514],[-0.0842381,-0.0309405,-0.0128349,0.00519675]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.54
S298 (cal/mol*K) = -2.33
G298 (kcal/mol) = 16.23

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(126); H(25), C7H10(126); C7H9(5)+H(25)(+M)=>C7H10(126)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.368e+00 -2.690e+00 -1.553e-01 3.561e-02 / CHEB/ 1.004e+01 1.442e+00 -2.381e-01 -4.979e-02 / CHEB/ -4.957e-02 7.087e-01 1.034e-01 -3.360e-02 / CHEB/ -5.271e-01 1.088e-01 1.039e-01 -1.074e-03 / CHEB/ -2.826e-01 -5.728e-02 2.565e-02 1.115e-02 / CHEB/ -8.424e-02 -3.094e-02 -1.283e-02 5.197e-03 /

375.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-0.3	+1.3	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-10.6	-1.5	+0.7	+1.0

Chebyshev(coeffs=[[-1.97861,-2.69203,-0.152671,0.0353941],[10.0179,1.43525,-0.240916,-0.0490813],[-0.0361772,0.7112,0.102249,-0.0337714],[-0.525416,0.110918,0.104146,-0.00120505],[-0.282867,-0.0568931,0.0260567,0.0110764],[-0.0844731,-0.031038,-0.0127641,0.00518583]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.63
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = 19.26

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(127); H(25), C7H10(127); C7H9(5)+H(25)(+M)=>C7H10(127)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.979e+00 -2.692e+00 -1.527e-01 3.539e-02 / CHEB/ 1.002e+01 1.435e+00 -2.409e-01 -4.908e-02 / CHEB/ -3.618e-02 7.112e-01 1.022e-01 -3.377e-02 / CHEB/ -5.254e-01 1.109e-01 1.041e-01 -1.205e-03 / CHEB/ -2.829e-01 -5.689e-02 2.606e-02 1.108e-02 / CHEB/ -8.447e-02 -3.104e-02 -1.276e-02 5.186e-03 /

376.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+4.6	+5.2	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-1.2	+3.4	+4.6	+4.4

Chebyshev(coeffs=[[7.23407,-2.23915,-0.0893791,-0.0193451],[3.72437,0.794167,-0.256847,0.0356487],[0.399512,0.641795,-0.00798143,-0.0594623],[-0.338839,0.201176,0.0966466,-0.0106943],[-0.279741,-0.0109872,0.0505074,0.021419],[-0.124875,-0.0496661,-0.00337878,0.00749053]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.26
S298 (cal/mol*K) = -1.36
G298 (kcal/mol) = -9.85

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(128); H(25), C7H10(128); C7H9(5)+H(25)(+M)=>C7H10(128)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.234e+00 -2.239e+00 -8.938e-02 -1.935e-02 / CHEB/ 3.724e+00 7.942e-01 -2.568e-01 3.565e-02 / CHEB/ 3.995e-01 6.418e-01 -7.981e-03 -5.946e-02 / CHEB/ -3.388e-01 2.012e-01 9.665e-02 -1.069e-02 / CHEB/ -2.797e-01 -1.099e-02 5.051e-02 2.142e-02 / CHEB/ -1.249e-01 -4.967e-02 -3.379e-03 7.491e-03 /

377.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.5	-1.4	+2.0	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-1.7	+1.8	+3.3

Chebyshev(coeffs=[[-5.91968,-0.856076,-0.246151,-0.0178889],[15.551,0.532937,0.0494589,-0.0457857],[-0.112829,0.160614,0.0531058,-0.00850816],[-0.129786,-0.00756507,0.0252517,0.00887188],[-0.0754381,-0.0183221,0.00489076,0.00842927],[-0.0382619,-0.00723392,-0.00296445,0.00292753]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.96
S298 (cal/mol*K) = 33.20
G298 (kcal/mol) = 41.07

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H5(99); H(25), C3H5(129); C7H9(5)+H(25)(+M)=>C4H5(99)+C3H5(129)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.920e+00 -8.561e-01 -2.462e-01 -1.789e-02 / CHEB/ 1.555e+01 5.329e-01 4.946e-02 -4.579e-02 / CHEB/ -1.128e-01 1.606e-01 5.311e-02 -8.508e-03 / CHEB/ -1.298e-01 -7.565e-03 2.525e-02 8.872e-03 / CHEB/ -7.544e-02 -1.832e-02 4.891e-03 8.429e-03 / CHEB/ -3.826e-02 -7.234e-03 -2.964e-03 2.928e-03 /

378.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.2	+0.1	+2.4	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-0.4	+2.1	+3.2

Chebyshev(coeffs=[[-0.501647,-1.19173,-0.218293,-0.0462786],[9.59299,0.632482,-0.00747444,0.000949334],[0.266717,0.244892,0.0145847,-0.00928172],[-0.0824818,0.0473484,0.0215062,-0.0134042],[-0.0718711,-0.00589843,0.0235391,-0.00153939],[-0.0221443,-0.0124565,0.0107124,0.00532284]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.15
S298 (cal/mol*K) = 10.28
G298 (kcal/mol) = 24.09

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(130); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(130)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.016e-01 -1.192e+00 -2.183e-01 -4.628e-02 / CHEB/ 9.593e+00 6.325e-01 -7.474e-03 9.493e-04 / CHEB/ 2.667e-01 2.449e-01 1.458e-02 -9.282e-03 / CHEB/ -8.248e-02 4.735e-02 2.151e-02 -1.340e-02 / CHEB/ -7.187e-02 -5.898e-03 2.354e-02 -1.539e-03 / CHEB/ -2.214e-02 -1.246e-02 1.071e-02 5.323e-03 /

379.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-3.2	+0.4	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-15.2	-3.5	+0.2	+1.9

Chebyshev(coeffs=[[-7.70459,-0.891702,-0.240346,-0.0179661],[15.6498,0.5511,0.0373645,-0.0438969],[0.0656393,0.168506,0.0515235,-0.0107076],[-0.0795908,-0.00444248,0.0275059,0.00718688],[-0.0587952,-0.0187758,0.00681874,0.00868526],[-0.0310879,-0.00818147,-0.00252066,0.0036057]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.75
S298 (cal/mol*K) = 19.86
G298 (kcal/mol) = 43.83

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(131); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(131)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.705e+00 -8.917e-01 -2.403e-01 -1.797e-02 / CHEB/ 1.565e+01 5.511e-01 3.736e-02 -4.390e-02 / CHEB/ 6.564e-02 1.685e-01 5.152e-02 -1.071e-02 / CHEB/ -7.959e-02 -4.442e-03 2.751e-02 7.187e-03 / CHEB/ -5.880e-02 -1.878e-02 6.819e-03 8.685e-03 / CHEB/ -3.109e-02 -8.181e-03 -2.521e-03 3.606e-03 /

380.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.6	-4.6	-0.8	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-17.2	-4.9	-1.0	+0.8

Chebyshev(coeffs=[[-9.74097,-0.847773,-0.247413,-0.0180375],[16.6153,0.528602,0.0522485,-0.0460041],[0.0855525,0.158769,0.0533983,-0.00798767],[-0.0710183,-0.00823612,0.0246882,0.0092178],[-0.0559811,-0.0181854,0.00446532,0.00834488],[-0.0317153,-0.00701279,-0.00304255,0.00277]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 52.75
S298 (cal/mol*K) = 17.16
G298 (kcal/mol) = 47.64

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(132); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(132)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.741e+00 -8.478e-01 -2.474e-01 -1.804e-02 / CHEB/ 1.662e+01 5.286e-01 5.225e-02 -4.600e-02 / CHEB/ 8.555e-02 1.588e-01 5.340e-02 -7.988e-03 / CHEB/ -7.102e-02 -8.236e-03 2.469e-02 9.218e-03 / CHEB/ -5.598e-02 -1.819e-02 4.465e-03 8.345e-03 / CHEB/ -3.172e-02 -7.013e-03 -3.043e-03 2.770e-03 /

381.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.7	-2.5	+1.6	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-2.7	+1.5	+3.3

Chebyshev(coeffs=[[-8.9568,-0.711471,-0.260314,-0.0273917],[18.6065,0.451428,0.09265,-0.0395923],[-0.105985,0.129729,0.0539398,0.00043273],[-0.124035,-0.0165833,0.0146665,0.0124151],[-0.0755337,-0.0146017,-0.000842571,0.0059158],[-0.0428195,-0.00364938,-0.0032435,0.00041512]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.90
S298 (cal/mol*K) = 33.17
G298 (kcal/mol) = 51.02

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(133); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C2H3(100)+C5H7(133)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.957e+00 -7.115e-01 -2.603e-01 -2.739e-02 / CHEB/ 1.861e+01 4.514e-01 9.265e-02 -3.959e-02 / CHEB/ -1.060e-01 1.297e-01 5.394e-02 4.327e-04 / CHEB/ -1.240e-01 -1.658e-02 1.467e-02 1.242e-02 / CHEB/ -7.553e-02 -1.460e-02 -8.426e-04 5.916e-03 / CHEB/ -4.282e-02 -3.649e-03 -3.244e-03 4.151e-04 /

382.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-1.7	+1.6	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-2.1	+1.4	+3.1

Chebyshev(coeffs=[[-5.29693,-0.972672,-0.22319,-0.0226447],[14.3051,0.597684,0.0134673,-0.031317],[0.168259,0.192871,0.0480441,-0.014373],[-0.0490843,0.00697266,0.0332043,0.00263767],[-0.045986,-0.0179588,0.0129078,0.00907007],[-0.0218904,-0.00998309,-0.000279803,0.00550508]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.55
S298 (cal/mol*K) = 16.06
G298 (kcal/mol) = 38.77

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(134); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(134)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.297e+00 -9.727e-01 -2.232e-01 -2.264e-02 / CHEB/ 1.431e+01 5.977e-01 1.347e-02 -3.132e-02 / CHEB/ 1.683e-01 1.929e-01 4.804e-02 -1.437e-02 / CHEB/ -4.908e-02 6.973e-03 3.320e-02 2.638e-03 / CHEB/ -4.599e-02 -1.796e-02 1.291e-02 9.070e-03 / CHEB/ -2.189e-02 -9.983e-03 -2.798e-04 5.505e-03 /

383.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-1.7	+1.6	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-2.1	+1.5	+3.1

Chebyshev(coeffs=[[-5.29332,-0.972117,-0.223003,-0.0225413],[14.3088,0.597794,0.0134911,-0.0313462],[0.168446,0.19244,0.0479578,-0.0144247],[-0.0499036,0.00667383,0.0331462,0.00266112],[-0.0466729,-0.0180593,0.0128453,0.00908607],[-0.0223147,-0.00999802,-0.00033589,0.00548335]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.55
S298 (cal/mol*K) = 16.06
G298 (kcal/mol) = 38.77

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(135); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(135)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.293e+00 -9.721e-01 -2.230e-01 -2.254e-02 / CHEB/ 1.431e+01 5.978e-01 1.349e-02 -3.135e-02 / CHEB/ 1.684e-01 1.924e-01 4.796e-02 -1.442e-02 / CHEB/ -4.990e-02 6.674e-03 3.315e-02 2.661e-03 / CHEB/ -4.667e-02 -1.806e-02 1.285e-02 9.086e-03 / CHEB/ -2.231e-02 -9.998e-03 -3.359e-04 5.483e-03 /

384.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.5	-4.1	-0.1	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-17.1	-4.4	-0.2	+1.7

Chebyshev(coeffs=[[-9.61205,-0.816519,-0.251802,-0.0190961],[17.3071,0.511758,0.0625722,-0.046134],[0.0989708,0.151984,0.0541932,-0.00602189],[-0.065611,-0.0105825,0.0224902,0.0103543],[-0.05445,-0.0175678,0.00296322,0.00795161],[-0.0322109,-0.00620417,-0.00325301,0.00218839]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.95
S298 (cal/mol*K) = 16.74
G298 (kcal/mol) = 49.96

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(136); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(136)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.612e+00 -8.165e-01 -2.518e-01 -1.910e-02 / CHEB/ 1.731e+01 5.118e-01 6.257e-02 -4.613e-02 / CHEB/ 9.897e-02 1.520e-01 5.419e-02 -6.022e-03 / CHEB/ -6.561e-02 -1.058e-02 2.249e-02 1.035e-02 / CHEB/ -5.445e-02 -1.757e-02 2.963e-03 7.952e-03 / CHEB/ -3.221e-02 -6.204e-03 -3.253e-03 2.188e-03 /

385.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-0.6	+2.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-1.0	+2.2	+3.5

Chebyshev(coeffs=[[-3.79517,-1.04489,-0.228065,-0.0147922],[13.5349,0.672634,0.0170351,-0.0395174],[0.0192038,0.193458,0.0508971,-0.013153],[-0.121526,0.00781598,0.0328348,0.0024158],[-0.0813042,-0.0243695,0.0101667,0.00847348],[-0.035629,-0.0175393,-0.0031552,0.00454921]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.33
S298 (cal/mol*K) = 24.99
G298 (kcal/mol) = 33.88

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(94); H(25), CH2(137); C7H9(5)+H(25)(+M)=>CH2(137)+C6H8(94)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.795e+00 -1.045e+00 -2.281e-01 -1.479e-02 / CHEB/ 1.353e+01 6.726e-01 1.704e-02 -3.952e-02 / CHEB/ 1.920e-02 1.935e-01 5.090e-02 -1.315e-02 / CHEB/ -1.215e-01 7.816e-03 3.283e-02 2.416e-03 / CHEB/ -8.130e-02 -2.437e-02 1.017e-02 8.473e-03 / CHEB/ -3.563e-02 -1.754e-02 -3.155e-03 4.549e-03 /

386.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	+3.0	+4.1	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-1.7	+2.3	+3.6	+4.1

Chebyshev(coeffs=[[5.82806,-1.50805,-0.206804,-0.0201589],[4.21002,0.730403,-0.0477381,-0.0179088],[0.426869,0.253724,0.0216613,-0.0142043],[-0.147835,0.0648307,0.00486942,-0.0015612],[-0.115471,0.0320925,0.00598487,-0.00161043],[-0.0340744,0.0129593,0.0109399,-0.00444502]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.37
S298 (cal/mol*K) = -3.34
G298 (kcal/mol) = -1.37

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(138); H(25), C7H10(138); C7H9(5)+H(25)(+M)=>C7H10(138)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.828e+00 -1.508e+00 -2.068e-01 -2.016e-02 / CHEB/ 4.210e+00 7.304e-01 -4.774e-02 -1.791e-02 / CHEB/ 4.269e-01 2.537e-01 2.166e-02 -1.420e-02 / CHEB/ -1.478e-01 6.483e-02 4.869e-03 -1.561e-03 / CHEB/ -1.155e-01 3.209e-02 5.985e-03 -1.610e-03 / CHEB/ -3.407e-02 1.296e-02 1.094e-02 -4.445e-03 /

387.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	+0.9	+3.2	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-7.6	+0.3	+2.9	+4.1

Chebyshev(coeffs=[[-0.102042,-1.16923,-0.216813,-0.0489938],[10.1388,0.629828,-0.012385,0.00350238],[0.212594,0.238255,0.0182019,-0.0125982],[-0.0895939,0.039759,0.0240357,-0.0133502],[-0.072549,-0.00963018,0.02258,0.000280205],[-0.0239618,-0.0129085,0.00897984,0.0060289]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.45
S298 (cal/mol*K) = -1.22
G298 (kcal/mol) = 23.82

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(139); H(25), C7H10(139); C7H9(5)+H(25)(+M)=>C7H10(139)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.020e-01 -1.169e+00 -2.168e-01 -4.899e-02 / CHEB/ 1.014e+01 6.298e-01 -1.239e-02 3.502e-03 / CHEB/ 2.126e-01 2.383e-01 1.820e-02 -1.260e-02 / CHEB/ -8.959e-02 3.976e-02 2.404e-02 -1.335e-02 / CHEB/ -7.255e-02 -9.630e-03 2.258e-02 2.802e-04 / CHEB/ -2.396e-02 -1.291e-02 8.980e-03 6.029e-03 /

388.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	+1.2	+3.5	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-7.2	+0.6	+3.2	+4.3

Chebyshev(coeffs=[[0.247009,-1.16898,-0.216778,-0.04899],[10.0516,0.629836,-0.0124141,0.0035043],[0.191944,0.238195,0.0182395,-0.0126241],[-0.0956199,0.0397058,0.024068,-0.0133408],[-0.0745117,-0.00965364,0.0225759,0.000299782],[-0.0246603,-0.0129105,0.00896497,0.00603498]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.32
S298 (cal/mol*K) = 0.26
G298 (kcal/mol) = 23.25

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(140); H(25), C7H10(140); C7H9(5)+H(25)(+M)=>C7H10(140)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.470e-01 -1.169e+00 -2.168e-01 -4.899e-02 / CHEB/ 1.005e+01 6.298e-01 -1.241e-02 3.504e-03 / CHEB/ 1.919e-01 2.382e-01 1.824e-02 -1.262e-02 / CHEB/ -9.562e-02 3.971e-02 2.407e-02 -1.334e-02 / CHEB/ -7.451e-02 -9.654e-03 2.258e-02 2.998e-04 / CHEB/ -2.466e-02 -1.291e-02 8.965e-03 6.035e-03 /

389.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	+1.0	+3.2	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-6.1	+0.5	+2.9	+3.9

Chebyshev(coeffs=[[1.35979,-1.13677,-0.247597,-0.0379185],[8.29481,0.584623,0.0556087,-0.0151891],[0.439746,0.18407,-0.0220103,0.00838661],[-0.0995807,0.0597153,0.00088341,-0.0217334],[-0.0542452,0.0151046,0.0298527,-0.00929115],[-0.00741407,-0.00482832,0.0190919,0.00669997]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.13
S298 (cal/mol*K) = -2.69
G298 (kcal/mol) = 7.94

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(141); H(25), C7H10(141); C7H9(5)+H(25)(+M)=>C7H10(141)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.360e+00 -1.137e+00 -2.476e-01 -3.792e-02 / CHEB/ 8.295e+00 5.846e-01 5.561e-02 -1.519e-02 / CHEB/ 4.397e-01 1.841e-01 -2.201e-02 8.387e-03 / CHEB/ -9.958e-02 5.972e-02 8.834e-04 -2.173e-02 / CHEB/ -5.425e-02 1.510e-02 2.985e-02 -9.291e-03 / CHEB/ -7.414e-03 -4.828e-03 1.909e-02 6.700e-03 /

390.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-2.0	+1.1	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-2.4	+0.9	+2.4

Chebyshev(coeffs=[[-4.67713,-1.04001,-0.215178,-0.0327319],[12.9727,0.618379,-0.00602997,-0.0180239],[0.162453,0.205501,0.0388997,-0.0176457],[-0.0408264,0.0127557,0.0326938,-0.0032384],[-0.0113006,-0.0193653,0.0162147,0.00746935],[-0.0132858,-0.0123539,0.00145871,0.00631781]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.45
S298 (cal/mol*K) = -1.22
G298 (kcal/mol) = 23.82

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(142); H(25), C7H10(142); C7H9(5)+H(25)(+M)=>C7H10(142)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.677e+00 -1.040e+00 -2.152e-01 -3.273e-02 / CHEB/ 1.297e+01 6.184e-01 -6.030e-03 -1.802e-02 / CHEB/ 1.625e-01 2.055e-01 3.890e-02 -1.765e-02 / CHEB/ -4.083e-02 1.276e-02 3.269e-02 -3.238e-03 / CHEB/ -1.130e-02 -1.937e-02 1.621e-02 7.469e-03 / CHEB/ -1.329e-02 -1.235e-02 1.459e-03 6.318e-03 /

391.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	+0.1	+2.3	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-7.9	-0.4	+2.0	+3.1

Chebyshev(coeffs=[[-0.552613,-1.3695,-0.326825,-0.0918392],[9.63264,0.804837,0.0852281,0.0325314],[0.167998,0.215744,0.00488305,-0.00904958],[-0.0904471,0.0322319,0.0133595,-0.0177662],[-0.0607953,0.00344143,0.0290056,0.00068069],[-0.0151685,-0.00450822,0.0159547,0.00850208]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.52
S298 (cal/mol*K) = -0.16
G298 (kcal/mol) = 25.57

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(143); H(25), C7H10(143); C7H9(5)+H(25)(+M)=>C7H10(143)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.526e-01 -1.369e+00 -3.268e-01 -9.184e-02 / CHEB/ 9.633e+00 8.048e-01 8.523e-02 3.253e-02 / CHEB/ 1.680e-01 2.157e-01 4.883e-03 -9.050e-03 / CHEB/ -9.045e-02 3.223e-02 1.336e-02 -1.777e-02 / CHEB/ -6.080e-02 3.441e-03 2.901e-02 6.807e-04 / CHEB/ -1.517e-02 -4.508e-03 1.595e-02 8.502e-03 /

392.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	+0.2	+2.7	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-0.2	+2.5	+3.8

Chebyshev(coeffs=[[0.50448,-1.16869,-0.198362,-0.0326086],[8.70715,0.741471,0.045175,0.00366929],[0.547898,0.277924,0.022285,-0.00218354],[0.0650371,0.023763,0.00262141,-0.0174841],[-0.0101011,-0.0402572,0.00852549,-0.00849672],[0.000911536,-0.0282948,0.00894958,0.00428236]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.32
S298 (cal/mol*K) = 2.96
G298 (kcal/mol) = 19.44

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(144); H(25), C7H10(144); C7H9(5)+H(25)(+M)=>C7H10(144)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.045e-01 -1.169e+00 -1.984e-01 -3.261e-02 / CHEB/ 8.707e+00 7.415e-01 4.518e-02 3.669e-03 / CHEB/ 5.479e-01 2.779e-01 2.229e-02 -2.184e-03 / CHEB/ 6.504e-02 2.376e-02 2.621e-03 -1.748e-02 / CHEB/ -1.010e-02 -4.026e-02 8.525e-03 -8.497e-03 / CHEB/ 9.115e-04 -2.829e-02 8.950e-03 4.282e-03 /

393.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.5	+0.1	+1.5	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-5.4	-0.6	+1.1	+1.8

Chebyshev(coeffs=[[2.13923,-1.42404,-0.221788,-0.0167451],[5.47913,0.703391,-0.0232919,-0.0299493],[0.423809,0.252267,0.0208096,-0.00592463],[-0.124502,0.0687764,0.00355815,-0.0013726],[-0.104929,0.0264919,0.0117747,-0.00517919],[-0.0277049,0.00565462,0.0150373,-0.00390884]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.95
S298 (cal/mol*K) = -8.45
G298 (kcal/mol) = 10.47

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(145); H(25), C7H10(145); C7H9(5)+H(25)(+M)=>C7H10(145)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.139e+00 -1.424e+00 -2.218e-01 -1.675e-02 / CHEB/ 5.479e+00 7.034e-01 -2.329e-02 -2.995e-02 / CHEB/ 4.238e-01 2.523e-01 2.081e-02 -5.925e-03 / CHEB/ -1.245e-01 6.878e-02 3.558e-03 -1.373e-03 / CHEB/ -1.049e-01 2.649e-02 1.177e-02 -5.179e-03 / CHEB/ -2.770e-02 5.655e-03 1.504e-02 -3.909e-03 /

394.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	+0.8	+2.6	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-5.3	+0.2	+2.2	+3.2

Chebyshev(coeffs=[[2.38822,-1.36645,-0.222392,-0.0187705],[6.36299,0.730852,-0.00749153,-0.0316234],[0.593511,0.26293,0.0257018,-0.00215409],[-0.0646942,0.0714717,0.0088105,-0.00198906],[-0.0740921,0.0201171,0.0184765,-0.00590545],[-0.0120101,-0.00158955,0.0175643,-0.00162873]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.73
S298 (cal/mol*K) = -4.64
G298 (kcal/mol) = 7.12

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(146); H(25), C7H10(146); C7H9(5)+H(25)(+M)=>C7H10(146)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.388e+00 -1.366e+00 -2.224e-01 -1.877e-02 / CHEB/ 6.363e+00 7.309e-01 -7.492e-03 -3.162e-02 / CHEB/ 5.935e-01 2.629e-01 2.570e-02 -2.154e-03 / CHEB/ -6.469e-02 7.147e-02 8.810e-03 -1.989e-03 / CHEB/ -7.409e-02 2.012e-02 1.848e-02 -5.905e-03 / CHEB/ -1.201e-02 -1.590e-03 1.756e-02 -1.629e-03 /

395.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+1.7	+2.6	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-2.6	+1.0	+2.2	+2.6

Chebyshev(coeffs=[[4.93644,-1.55794,-0.201577,-0.0235316],[3.58571,0.730779,-0.0569564,-0.00967501],[0.41297,0.255563,0.0162329,-0.0176846],[-0.155805,0.0609237,0.00558872,-0.0034551],[-0.12098,0.032758,0.00366514,0.000172538],[-0.0385573,0.017345,0.00775636,-0.00390733]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.15
S298 (cal/mol*K) = -8.10
G298 (kcal/mol) = 0.27

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(147); H(25), C7H10(147); C7H9(5)+H(25)(+M)=>C7H10(147)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.936e+00 -1.558e+00 -2.016e-01 -2.353e-02 / CHEB/ 3.586e+00 7.308e-01 -5.696e-02 -9.675e-03 / CHEB/ 4.130e-01 2.556e-01 1.623e-02 -1.768e-02 / CHEB/ -1.558e-01 6.092e-02 5.589e-03 -3.455e-03 / CHEB/ -1.210e-01 3.276e-02 3.665e-03 1.725e-04 / CHEB/ -3.856e-02 1.734e-02 7.756e-03 -3.907e-03 /

396.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.9	+2.9	+3.2	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+2.1	+2.7	+2.7

Chebyshev(coeffs=[[7.11007,-1.67493,-0.193187,-0.0287776],[1.94707,0.684949,-0.0583639,0.00828889],[0.158983,0.273694,0.00208355,-0.0166298],[-0.176096,0.0653414,0.00485433,-0.00918218],[-0.123664,0.0364626,0.00487189,0.00191259],[-0.0418258,0.030079,0.00315018,-0.00105771]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.65
S298 (cal/mol*K) = -15.32
G298 (kcal/mol) = -13.08

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(148); H(25), C7H10(148); C7H9(5)+H(25)(+M)=>C7H10(148)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.110e+00 -1.675e+00 -1.932e-01 -2.878e-02 / CHEB/ 1.947e+00 6.849e-01 -5.836e-02 8.289e-03 / CHEB/ 1.590e-01 2.737e-01 2.084e-03 -1.663e-02 / CHEB/ -1.761e-01 6.534e-02 4.854e-03 -9.182e-03 / CHEB/ -1.237e-01 3.646e-02 4.872e-03 1.913e-03 / CHEB/ -4.183e-02 3.008e-02 3.150e-03 -1.058e-03 /

397.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	+1.3	+2.8	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+0.6	+2.5	+3.5

Chebyshev(coeffs=[[3.95586,-1.4282,-0.200022,-0.0163699],[4.89254,0.796377,-0.0152228,-0.0213556],[0.629352,0.300908,0.0384036,-0.00928966],[0.0120047,0.0853122,0.0123719,-0.000223741],[-0.0215316,0.0260673,0.0110287,-0.00231575],[0.012542,-0.00565131,0.0124496,-0.00324067]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.53
S298 (cal/mol*K) = -6.13
G298 (kcal/mol) = 6.36

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(149); H(25), C7H10(149); C7H9(5)+H(25)(+M)=>C7H10(149)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.956e+00 -1.428e+00 -2.000e-01 -1.637e-02 / CHEB/ 4.893e+00 7.964e-01 -1.522e-02 -2.136e-02 / CHEB/ 6.294e-01 3.009e-01 3.840e-02 -9.290e-03 / CHEB/ 1.200e-02 8.531e-02 1.237e-02 -2.237e-04 / CHEB/ -2.153e-02 2.607e-02 1.103e-02 -2.316e-03 / CHEB/ 1.254e-02 -5.651e-03 1.245e-02 -3.241e-03 /

398.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+4.8	+5.6	+5.8
log₁₀(k(10 bar)/[mole,m,s])	+0.9	+4.0	+5.1	+5.5

Chebyshev(coeffs=[[8.47519,-1.47792,-0.123234,0.000796345],[2.91572,0.541959,-0.166272,-0.0398257],[0.448475,0.33378,0.0422443,-0.0113764],[-0.129656,0.0673225,0.013717,-0.000653383],[-0.119483,0.0220418,-0.00260636,-0.00107775],[-0.0375789,0.0208942,0.00420215,-0.00367481]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -47.16
S298 (cal/mol*K) = -13.64
G298 (kcal/mol) = -43.09

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(150); H(25), C7H10(150); C7H9(5)+H(25)(+M)=>C7H10(150)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.475e+00 -1.478e+00 -1.232e-01 7.963e-04 / CHEB/ 2.916e+00 5.420e-01 -1.663e-01 -3.983e-02 / CHEB/ 4.485e-01 3.338e-01 4.224e-02 -1.138e-02 / CHEB/ -1.297e-01 6.732e-02 1.372e-02 -6.534e-04 / CHEB/ -1.195e-01 2.204e-02 -2.606e-03 -1.078e-03 / CHEB/ -3.758e-02 2.089e-02 4.202e-03 -3.675e-03 /

399.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+3.9	+5.2	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-1.2	+3.2	+4.7	+5.3

Chebyshev(coeffs=[[6.44626,-1.49025,-0.211147,-0.0191873],[4.73039,0.72098,-0.044829,-0.0219665],[0.473016,0.248668,0.0205594,-0.0128728],[-0.133522,0.0626641,0.00279571,-0.00160805],[-0.112794,0.0288134,0.00602373,-0.00284488],[-0.0338086,0.00964402,0.0113341,-0.00477651]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.67
S298 (cal/mol*K) = 0.96
G298 (kcal/mol) = 3.39

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(151); H(25), C7H10(151); C7H9(5)+H(25)(+M)=>C7H10(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.446e+00 -1.490e+00 -2.111e-01 -1.919e-02 / CHEB/ 4.730e+00 7.210e-01 -4.483e-02 -2.197e-02 / CHEB/ 4.730e-01 2.487e-01 2.056e-02 -1.287e-02 / CHEB/ -1.335e-01 6.266e-02 2.796e-03 -1.608e-03 / CHEB/ -1.128e-01 2.881e-02 6.024e-03 -2.845e-03 / CHEB/ -3.381e-02 9.644e-03 1.133e-02 -4.777e-03 /

400.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.5	+2.3	+4.3	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-4.4	+2.7	+4.9	+5.9

Chebyshev(coeffs=[[1.97101,0.600712,-0.30604,-0.0696318],[8.98258,0.802353,0.0773773,0.0166044],[0.172097,0.221094,0.00453994,-0.00100027],[-0.148359,0.056901,0.0120881,-0.0130862],[-0.0814565,-9.73793e-05,0.0201508,-0.00619966],[-0.00554105,-0.0119187,0.0119575,0.00198494]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.51
S298 (cal/mol*K) = 13.89
G298 (kcal/mol) = 18.37

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(152); H(25), C7H10(152); C7H9(5)+H(25)(+M)=>C7H10(152)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.971e+00 6.007e-01 -3.060e-01 -6.963e-02 / CHEB/ 8.983e+00 8.024e-01 7.738e-02 1.660e-02 / CHEB/ 1.721e-01 2.211e-01 4.540e-03 -1.000e-03 / CHEB/ -1.484e-01 5.690e-02 1.209e-02 -1.309e-02 / CHEB/ -8.146e-02 -9.738e-05 2.015e-02 -6.200e-03 / CHEB/ -5.541e-03 -1.192e-02 1.196e-02 1.985e-03 /

401.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.3	+3.0	+5.4	+6.3
log₁₀(k(10 bar)/[mole,m,s])	-5.1	+2.5	+5.1	+6.2

Chebyshev(coeffs=[[2.35443,-1.19233,-0.220593,-0.0482903],[9.73797,0.630196,-0.00872523,0.00193281],[0.261189,0.243154,0.0148989,-0.00982672],[-0.0844303,0.0449588,0.0210108,-0.0138979],[-0.0730637,-0.00701295,0.0228717,-0.00152986],[-0.0230924,-0.0124818,0.0103772,0.00537264]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.51
S298 (cal/mol*K) = 13.89
G298 (kcal/mol) = 18.37

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(153); H(25), C7H10(153); C7H9(5)+H(25)(+M)=>C7H10(153)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.354e+00 -1.192e+00 -2.206e-01 -4.829e-02 / CHEB/ 9.738e+00 6.302e-01 -8.725e-03 1.933e-03 / CHEB/ 2.612e-01 2.432e-01 1.490e-02 -9.827e-03 / CHEB/ -8.443e-02 4.496e-02 2.101e-02 -1.390e-02 / CHEB/ -7.306e-02 -7.013e-03 2.287e-02 -1.530e-03 / CHEB/ -2.309e-02 -1.248e-02 1.038e-02 5.373e-03 /

402.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	+1.7	+3.8	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+1.2	+3.5	+4.5

Chebyshev(coeffs=[[1.48921,-1.20792,-0.223445,-0.046781],[8.99611,0.630715,-0.00596836,-0.000481433],[0.189329,0.245885,0.0130189,-0.00782741],[-0.112081,0.0482999,0.0188419,-0.0138819],[-0.083851,-0.00505145,0.0228416,-0.00273956],[-0.026213,-0.0120343,0.0112545,0.00480079]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.99
S298 (cal/mol*K) = 13.44
G298 (kcal/mol) = 15.98

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(154); H(25), C7H10(154); C7H9(5)+H(25)(+M)=>C7H10(154)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.489e+00 -1.208e+00 -2.234e-01 -4.678e-02 / CHEB/ 8.996e+00 6.307e-01 -5.968e-03 -4.814e-04 / CHEB/ 1.893e-01 2.459e-01 1.302e-02 -7.827e-03 / CHEB/ -1.121e-01 4.830e-02 1.884e-02 -1.388e-02 / CHEB/ -8.385e-02 -5.051e-03 2.284e-02 -2.740e-03 / CHEB/ -2.621e-02 -1.203e-02 1.125e-02 4.801e-03 /

403.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	-0.1	+2.3	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-0.6	+2.1	+3.2

Chebyshev(coeffs=[[-1.10691,-1.16453,-0.216155,-0.0489111],[10.2764,0.629757,-0.0130112,0.00350943],[0.215266,0.237129,0.018923,-0.0131121],[-0.0871332,0.038674,0.0246066,-0.0131623],[-0.0713024,-0.010124,0.0224694,0.000640727],[-0.0237432,-0.0129683,0.0086822,0.00613254]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.26
S298 (cal/mol*K) = -5.37
G298 (kcal/mol) = 26.86

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(155); H(25), C7H10(155); C7H9(5)+H(25)(+M)=>C7H10(155)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.107e+00 -1.165e+00 -2.162e-01 -4.891e-02 / CHEB/ 1.028e+01 6.298e-01 -1.301e-02 3.509e-03 / CHEB/ 2.153e-01 2.371e-01 1.892e-02 -1.311e-02 / CHEB/ -8.713e-02 3.867e-02 2.461e-02 -1.316e-02 / CHEB/ -7.130e-02 -1.012e-02 2.247e-02 6.407e-04 / CHEB/ -2.374e-02 -1.297e-02 8.682e-03 6.133e-03 /

404.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	+1.2	+2.4	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-0.2	+1.6	+1.6

Chebyshev(coeffs=[[0.722483,-2.80831,-0.119304,0.00846721],[8.04962,1.18715,-0.280432,-0.011948],[0.0731558,0.732879,0.0395254,-0.0452632],[-0.53652,0.177272,0.102205,-0.00865203],[-0.31883,-0.0360163,0.0419038,0.0100776],[-0.106469,-0.0334728,-0.00760826,0.00532107]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.49
S298 (cal/mol*K) = 22.70
G298 (kcal/mol) = 9.73

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H5(156); H(25), C3H5(98); C7H9(5)+H(25)(+M)=>C3H5(98)+C4H5(156)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.225e-01 -2.808e+00 -1.193e-01 8.467e-03 / CHEB/ 8.050e+00 1.187e+00 -2.804e-01 -1.195e-02 / CHEB/ 7.316e-02 7.329e-01 3.953e-02 -4.526e-02 / CHEB/ -5.365e-01 1.773e-01 1.022e-01 -8.652e-03 / CHEB/ -3.188e-01 -3.602e-02 4.190e-02 1.008e-02 / CHEB/ -1.065e-01 -3.347e-02 -7.608e-03 5.321e-03 /

405.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-3.6	-1.6	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-15.0	-4.7	-2.2	-1.6

Chebyshev(coeffs=[[-6.46915,-2.66346,-0.248627,0.0306977],[11.9236,1.55041,-0.151709,-0.0620177],[-0.14472,0.625626,0.106351,-0.0349024],[-0.480904,0.0683919,0.0902956,-0.000207848],[-0.257156,-0.0598287,0.0187399,0.0126744],[-0.0781051,-0.027944,-0.0127124,0.00554348]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.42
S298 (cal/mol*K) = 13.46
G298 (kcal/mol) = 29.41

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(157); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(157)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.469e+00 -2.663e+00 -2.486e-01 3.070e-02 / CHEB/ 1.192e+01 1.550e+00 -1.517e-01 -6.202e-02 / CHEB/ -1.447e-01 6.256e-01 1.064e-01 -3.490e-02 / CHEB/ -4.809e-01 6.839e-02 9.030e-02 -2.078e-04 / CHEB/ -2.572e-01 -5.983e-02 1.874e-02 1.267e-02 / CHEB/ -7.811e-02 -2.794e-02 -1.271e-02 5.543e-03 /

406.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.4	-4.5	-2.1	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-17.0	-5.1	-2.4	-1.8

Chebyshev(coeffs=[[-9.44821,-2.10572,-0.424957,0.0218938],[15.1624,1.55422,0.101727,-0.0926405],[-0.678807,0.405074,0.151863,-0.0102697],[-0.498711,-0.0508895,0.0512314,0.0207803],[-0.209506,-0.0727706,-0.0120422,0.0119014],[-0.0596289,-0.0159225,-0.0156308,-0.000814048]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.34
S298 (cal/mol*K) = 32.90
G298 (kcal/mol) = 40.54

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(158); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C2H3(100)+C5H7(158)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.448e+00 -2.106e+00 -4.250e-01 2.189e-02 / CHEB/ 1.516e+01 1.554e+00 1.017e-01 -9.264e-02 / CHEB/ -6.788e-01 4.051e-01 1.519e-01 -1.027e-02 / CHEB/ -4.987e-01 -5.089e-02 5.123e-02 2.078e-02 / CHEB/ -2.095e-01 -7.277e-02 -1.204e-02 1.190e-02 / CHEB/ -5.963e-02 -1.592e-02 -1.563e-02 -8.140e-04 /

407.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-3.4	+0.2	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-3.8	+0.0	+1.9

Chebyshev(coeffs=[[-6.09696,-1.46907,-0.0321042,0.00784128],[13.3276,0.981923,-0.187681,-0.0489823],[0.608157,0.464091,0.0318783,-0.0364012],[0.0522339,-0.00968146,0.0652678,-0.0028477],[0.00944673,-0.116346,0.0269626,0.0218267],[-0.00436318,-0.0567374,-0.00612787,0.0131622]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.49
S298 (cal/mol*K) = 14.22
G298 (kcal/mol) = 31.25

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(159); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(159)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.097e+00 -1.469e+00 -3.210e-02 7.841e-03 / CHEB/ 1.333e+01 9.819e-01 -1.877e-01 -4.898e-02 / CHEB/ 6.082e-01 4.641e-01 3.188e-02 -3.640e-02 / CHEB/ 5.223e-02 -9.681e-03 6.527e-02 -2.848e-03 / CHEB/ 9.447e-03 -1.163e-01 2.696e-02 2.183e-02 / CHEB/ -4.363e-03 -5.674e-02 -6.128e-03 1.316e-02 /

408.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.2	-5.7	-3.4	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-18.0	-6.5	-3.7	-3.0

Chebyshev(coeffs=[[-9.81117,-2.41673,-0.343039,0.0327108],[13.9007,1.62644,-0.0252529,-0.0843098],[-0.310505,0.52618,0.137482,-0.0260359],[-0.455662,-0.00062112,0.0755142,0.010623],[-0.243816,-0.0731362,0.00260827,0.0143981],[-0.059777,-0.0242142,-0.0153648,0.00309804]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.22
S298 (cal/mol*K) = 13.34
G298 (kcal/mol) = 37.25

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(160); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(160)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.811e+00 -2.417e+00 -3.430e-01 3.271e-02 / CHEB/ 1.390e+01 1.626e+00 -2.525e-02 -8.431e-02 / CHEB/ -3.105e-01 5.262e-01 1.375e-01 -2.604e-02 / CHEB/ -4.557e-01 -6.211e-04 7.551e-02 1.062e-02 / CHEB/ -2.438e-01 -7.314e-02 2.608e-03 1.440e-02 / CHEB/ -5.978e-02 -2.421e-02 -1.536e-02 3.098e-03 /

409.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.2	-9.8	-6.3	-5.0
log₁₀(k(10 bar)/[mole,m,s])	-24.5	-10.2	-6.5	-5.2

Chebyshev(coeffs=[[-17.0506,-1.60813,-0.486047,-0.0163284],[19.0311,1.31725,0.25525,-0.0717145],[-0.547965,0.239005,0.139029,0.0210024],[-0.391673,-0.0892189,0.00910492,0.0236629],[-0.15361,-0.0579465,-0.0247454,0.00205159],[-0.0441591,-0.00367422,-0.0102664,-0.00480447]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 62.52
S298 (cal/mol*K) = 18.96
G298 (kcal/mol) = 56.87

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(161); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(161)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.705e+01 -1.608e+00 -4.860e-01 -1.633e-02 / CHEB/ 1.903e+01 1.317e+00 2.552e-01 -7.171e-02 / CHEB/ -5.480e-01 2.390e-01 1.390e-01 2.100e-02 / CHEB/ -3.917e-01 -8.922e-02 9.105e-03 2.366e-02 / CHEB/ -1.536e-01 -5.795e-02 -2.475e-02 2.052e-03 / CHEB/ -4.416e-02 -3.674e-03 -1.027e-02 -4.804e-03 /

410.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.2	-9.8	-6.3	-5.0
log₁₀(k(10 bar)/[mole,m,s])	-24.5	-10.2	-6.5	-5.2

H298 (kcal/mol) = 62.52
S298 (cal/mol*K) = 18.96
G298 (kcal/mol) = 56.87

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(162); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(162)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.705e+01 -1.608e+00 -4.860e-01 -1.633e-02 / CHEB/ 1.903e+01 1.317e+00 2.552e-01 -7.171e-02 / CHEB/ -5.480e-01 2.390e-01 1.390e-01 2.100e-02 / CHEB/ -3.917e-01 -8.922e-02 9.105e-03 2.366e-02 / CHEB/ -1.536e-01 -5.795e-02 -2.475e-02 2.052e-03 / CHEB/ -4.416e-02 -3.674e-03 -1.027e-02 -4.804e-03 /

411.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.8	-9.0	-5.7	-4.6
log₁₀(k(10 bar)/[mole,m,s])	-23.2	-9.5	-5.9	-4.7

Chebyshev(coeffs=[[-15.639,-1.77474,-0.47386,-0.000675061],[18.0988,1.41168,0.210375,-0.0842411],[-0.524534,0.290266,0.148497,0.0110472],[-0.404617,-0.0815367,0.0229363,0.024896],[-0.163383,-0.0641935,-0.0222465,0.00565698],[-0.0458608,-0.00744503,-0.0126453,-0.004012]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.02
S298 (cal/mol*K) = 18.96
G298 (kcal/mol) = 53.37

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(163); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(163)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.564e+01 -1.775e+00 -4.739e-01 -6.751e-04 / CHEB/ 1.810e+01 1.412e+00 2.104e-01 -8.424e-02 / CHEB/ -5.245e-01 2.903e-01 1.485e-01 1.105e-02 / CHEB/ -4.046e-01 -8.154e-02 2.294e-02 2.490e-02 / CHEB/ -1.634e-01 -6.419e-02 -2.225e-02 5.657e-03 / CHEB/ -4.586e-02 -7.445e-03 -1.265e-02 -4.012e-03 /

412.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.6	-8.5	-5.0	-3.8
log₁₀(k(10 bar)/[mole,m,s])	-23.0	-8.9	-5.2	-3.9

Chebyshev(coeffs=[[-15.5059,-1.67784,-0.482065,-0.00943186],[18.7347,1.35825,0.237453,-0.0776989],[-0.518163,0.259924,0.143556,0.0170335],[-0.390903,-0.0865211,0.014793,0.0244322],[-0.15556,-0.0606444,-0.0239181,0.00355048],[-0.0440428,-0.00522663,-0.0113095,-0.00454211]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.22
S298 (cal/mol*K) = 18.54
G298 (kcal/mol) = 55.70

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(164); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(164)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.551e+01 -1.678e+00 -4.821e-01 -9.432e-03 / CHEB/ 1.873e+01 1.358e+00 2.375e-01 -7.770e-02 / CHEB/ -5.182e-01 2.599e-01 1.436e-01 1.703e-02 / CHEB/ -3.909e-01 -8.652e-02 1.479e-02 2.443e-02 / CHEB/ -1.556e-01 -6.064e-02 -2.392e-02 3.550e-03 / CHEB/ -4.404e-02 -5.227e-03 -1.131e-02 -4.542e-03 /

413.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-0.5	+0.8	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-1.9	-0.0	+0.1

Chebyshev(coeffs=[[-0.641938,-2.809,-0.103476,0.00113996],[7.73158,1.08991,-0.289217,0.00133831],[0.207753,0.743515,0.023042,-0.0483079],[-0.519818,0.198894,0.102572,-0.0101703],[-0.319304,-0.0299426,0.0465751,0.010477],[-0.108322,-0.0350046,-0.00614386,0.00528949]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.94
S298 (cal/mol*K) = 0.17
G298 (kcal/mol) = 7.89

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(165); H(25), C7H10(165); C7H9(5)+H(25)(+M)=>C7H10(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.419e-01 -2.809e+00 -1.035e-01 1.140e-03 / CHEB/ 7.732e+00 1.090e+00 -2.892e-01 1.338e-03 / CHEB/ 2.078e-01 7.435e-01 2.304e-02 -4.831e-02 / CHEB/ -5.198e-01 1.989e-01 1.026e-01 -1.017e-02 / CHEB/ -3.193e-01 -2.994e-02 4.658e-02 1.048e-02 / CHEB/ -1.083e-01 -3.500e-02 -6.144e-03 5.289e-03 /

414.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-0.4	+0.9	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-1.8	+0.1	+0.3

Chebyshev(coeffs=[[-0.632315,-2.80908,-0.10403,0.0014605],[7.87165,1.09386,-0.288989,0.000770695],[0.230594,0.74317,0.0237255,-0.0481745],[-0.512183,0.198049,0.102568,-0.0101077],[-0.316576,-0.0302035,0.0463889,0.0104576],[-0.107284,-0.0349411,-0.00620748,0.00528546]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.34
S298 (cal/mol*K) = 0.82
G298 (kcal/mol) = 8.10

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(166); H(25), C7H10(166); C7H9(5)+H(25)(+M)=>C7H10(166)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.323e-01 -2.809e+00 -1.040e-01 1.461e-03 / CHEB/ 7.872e+00 1.094e+00 -2.890e-01 7.707e-04 / CHEB/ 2.306e-01 7.432e-01 2.373e-02 -4.817e-02 / CHEB/ -5.122e-01 1.980e-01 1.026e-01 -1.011e-02 / CHEB/ -3.166e-01 -3.020e-02 4.639e-02 1.046e-02 / CHEB/ -1.073e-01 -3.494e-02 -6.207e-03 5.285e-03 /

415.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-1.7	+0.6	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-2.4	+0.3	+1.5

Chebyshev(coeffs=[[-0.236647,-1.66748,-0.0415191,0.0332615],[6.75118,1.05247,-0.181105,-0.0609137],[1.0465,0.382459,-0.00312632,-0.0662711],[-0.00704345,0.0704253,0.0489471,0.0164924],[-0.0756422,-0.0192389,0.0236149,0.0163796],[-0.0108072,-0.0483882,0.00728791,-6.90008e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.05
S298 (cal/mol*K) = -4.90
G298 (kcal/mol) = -1.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(167); H(25), C7H10(167); C7H9(5)+H(25)(+M)=>C7H10(167)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.366e-01 -1.667e+00 -4.152e-02 3.326e-02 / CHEB/ 6.751e+00 1.052e+00 -1.811e-01 -6.091e-02 / CHEB/ 1.046e+00 3.825e-01 -3.126e-03 -6.627e-02 / CHEB/ -7.043e-03 7.043e-02 4.895e-02 1.649e-02 / CHEB/ -7.564e-02 -1.924e-02 2.361e-02 1.638e-02 / CHEB/ -1.081e-02 -4.839e-02 7.288e-03 -6.900e-05 /

416.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-1.7	-0.1	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-3.0	-0.8	-0.1

Chebyshev(coeffs=[[-2.87864,-2.77295,-0.163189,0.0197374],[9.621,1.38502,-0.242563,-0.0356155],[-0.161031,0.702762,0.0712453,-0.0401569],[-0.412602,0.127563,0.100218,-0.00569],[-0.0749899,-0.053335,0.0326961,0.0106458],[-0.0463613,-0.0338538,-0.0103456,0.00587817]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.34
S298 (cal/mol*K) = 0.82
G298 (kcal/mol) = 8.10

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(168); H(25), C7H10(168); C7H9(5)+H(25)(+M)=>C7H10(168)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.879e+00 -2.773e+00 -1.632e-01 1.974e-02 / CHEB/ 9.621e+00 1.385e+00 -2.426e-01 -3.562e-02 / CHEB/ -1.610e-01 7.028e-01 7.125e-02 -4.016e-02 / CHEB/ -4.126e-01 1.276e-01 1.002e-01 -5.690e-03 / CHEB/ -7.499e-02 -5.333e-02 3.270e-02 1.065e-02 / CHEB/ -4.636e-02 -3.385e-02 -1.035e-02 5.878e-03 /

417.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.7	-2.1	-0.6	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-3.4	-1.3	-1.1

Chebyshev(coeffs=[[-2.71517,-2.7916,-0.114328,0.00565719],[8.52473,1.1801,-0.282315,-0.00817452],[0.258299,0.747007,0.0390537,-0.0467831],[-0.493879,0.179518,0.104184,-0.00839176],[-0.29883,-0.0391241,0.0422801,0.0104557],[-0.0987028,-0.0353454,-0.00828977,0.00515223]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.16
S298 (cal/mol*K) = -8.86
G298 (kcal/mol) = 2.80

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(169); H(25), C7H10(169); C7H9(5)+H(25)(+M)=>C7H10(169)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.715e+00 -2.792e+00 -1.143e-01 5.657e-03 / CHEB/ 8.525e+00 1.180e+00 -2.823e-01 -8.175e-03 / CHEB/ 2.583e-01 7.470e-01 3.905e-02 -4.678e-02 / CHEB/ -4.939e-01 1.795e-01 1.042e-01 -8.392e-03 / CHEB/ -2.988e-01 -3.912e-02 4.228e-02 1.046e-02 / CHEB/ -9.870e-02 -3.535e-02 -8.290e-03 5.152e-03 /

418.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	-1.4	+0.3	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-2.7	-0.4	-0.1

Chebyshev(coeffs=[[-2.96887,-2.78455,-0.161936,0.0197787],[9.88497,1.36431,-0.245146,-0.0344289],[0.0567094,0.69941,0.0691598,-0.0402516],[-0.494035,0.133616,0.0994797,-0.00611044],[-0.289622,-0.0461717,0.0325986,0.0103092],[-0.0933297,-0.0308027,-0.00988815,0.00578285]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.94
S298 (cal/mol*K) = 1.55
G298 (kcal/mol) = 7.48

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(170); H(25), C7H10(170); C7H9(5)+H(25)(+M)=>C7H10(170)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.969e+00 -2.785e+00 -1.619e-01 1.978e-02 / CHEB/ 9.885e+00 1.364e+00 -2.451e-01 -3.443e-02 / CHEB/ 5.671e-02 6.994e-01 6.916e-02 -4.025e-02 / CHEB/ -4.940e-01 1.336e-01 9.948e-02 -6.110e-03 / CHEB/ -2.896e-01 -4.617e-02 3.260e-02 1.031e-02 / CHEB/ -9.333e-02 -3.080e-02 -9.888e-03 5.783e-03 /

419.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-0.8	+1.3	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-7.7	-1.5	+1.0	+2.1

Chebyshev(coeffs=[[1.02794,-1.91326,0.0458981,-0.00230169],[6.33476,1.04216,-0.172956,-0.0210323],[0.905594,0.577082,-0.103564,-0.054119],[-0.100921,0.188035,0.017997,-0.000312062],[-0.0704026,-0.0238724,0.0422907,0.0043997],[0.0176179,-0.0870991,0.0182227,0.00627254]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.49
S298 (cal/mol*K) = -7.15
G298 (kcal/mol) = -0.36

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(171); H(25), C7H10(171); C7H9(5)+H(25)(+M)=>C7H10(171)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.028e+00 -1.913e+00 4.590e-02 -2.302e-03 / CHEB/ 6.335e+00 1.042e+00 -1.730e-01 -2.103e-02 / CHEB/ 9.056e-01 5.771e-01 -1.036e-01 -5.412e-02 / CHEB/ -1.009e-01 1.880e-01 1.800e-02 -3.121e-04 / CHEB/ -7.040e-02 -2.387e-02 4.229e-02 4.400e-03 / CHEB/ 1.762e-02 -8.710e-02 1.822e-02 6.273e-03 /

420.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.0	-7.9	-5.7	-5.1
log₁₀(k(10 bar)/[mole,m,s])	-19.9	-8.9	-6.1	-5.3

Chebyshev(coeffs=[[-11.4695,-2.51324,-0.309684,0.0331617],[13.0535,1.61879,-0.0726076,-0.0776009],[-0.166734,0.563017,0.128593,-0.0299321],[-0.412681,0.0199302,0.0816505,0.00665675],[-0.258824,-0.0711094,0.00752325,0.0142487],[-0.0285288,-0.0273321,-0.0147546,0.0041734]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.26
S298 (cal/mol*K) = -3.36
G298 (kcal/mol) = 30.27

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(172); H(25), C7H10(172); C7H9(5)+H(25)(+M)=>C7H10(172)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.147e+01 -2.513e+00 -3.097e-01 3.316e-02 / CHEB/ 1.305e+01 1.619e+00 -7.261e-02 -7.760e-02 / CHEB/ -1.667e-01 5.630e-01 1.286e-01 -2.993e-02 / CHEB/ -4.127e-01 1.993e-02 8.165e-02 6.657e-03 / CHEB/ -2.588e-01 -7.111e-02 7.523e-03 1.425e-02 / CHEB/ -2.853e-02 -2.733e-02 -1.475e-02 4.173e-03 /

421.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.8	-6.2	-4.2	-3.8
log₁₀(k(10 bar)/[mole,m,s])	-17.8	-7.2	-4.7	-4.1

Chebyshev(coeffs=[[-9.34007,-2.62095,-0.269939,0.032235],[12.3281,1.57466,-0.12585,-0.0675648],[-0.199128,0.60623,0.113203,-0.0335582],[-0.48089,0.0541519,0.087557,0.0017356],[-0.250561,-0.0626952,0.0156132,0.0131912],[-0.07508,-0.0273108,-0.0133348,0.00521162]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.44
S298 (cal/mol*K) = -1.88
G298 (kcal/mol) = 21.00

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(173); H(25), C7H10(173); C7H9(5)+H(25)(+M)=>C7H10(173)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.340e+00 -2.621e+00 -2.699e-01 3.224e-02 / CHEB/ 1.233e+01 1.575e+00 -1.259e-01 -6.756e-02 / CHEB/ -1.991e-01 6.062e-01 1.132e-01 -3.356e-02 / CHEB/ -4.809e-01 5.415e-02 8.756e-02 1.736e-03 / CHEB/ -2.506e-01 -6.270e-02 1.561e-02 1.319e-02 / CHEB/ -7.508e-02 -2.731e-02 -1.333e-02 5.212e-03 /

422.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-3.8	-1.7	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-5.0	-2.1	-0.7

Chebyshev(coeffs=[[-3.72611,-2.64862,-0.0569685,0.00851488],[8.5484,1.39715,-0.205475,0.00399684],[0.651009,0.935646,0.0690045,-0.0522907],[-0.185817,0.287836,0.10491,-0.0214648],[-0.0865042,-0.0152026,0.0236839,-0.0008653],[0.0417337,-0.0625772,-0.0361222,-0.00134527]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.31
S298 (cal/mol*K) = -7.27
G298 (kcal/mol) = 7.48

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(174); H(25), C7H10(174); C7H9(5)+H(25)(+M)=>C7H10(174)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.726e+00 -2.649e+00 -5.697e-02 8.515e-03 / CHEB/ 8.548e+00 1.397e+00 -2.055e-01 3.997e-03 / CHEB/ 6.510e-01 9.356e-01 6.900e-02 -5.229e-02 / CHEB/ -1.858e-01 2.878e-01 1.049e-01 -2.146e-02 / CHEB/ -8.650e-02 -1.520e-02 2.368e-02 -8.653e-04 / CHEB/ 4.173e-02 -6.258e-02 -3.612e-02 -1.345e-03 /

423.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.2	-6.7	-3.7	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-18.2	-7.6	-4.0	-2.0

Chebyshev(coeffs=[[-9.52906,-2.48433,-0.24725,0.0359559],[13.1156,1.77339,-0.0464303,-0.066985],[0.293619,0.711539,0.153951,-0.0326587],[-0.0643969,0.081249,0.0936357,0.000294816],[0.0421335,-0.0965327,0.000336009,0.010955],[0.102841,-0.0962512,-0.0365421,0.00447113]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.61
S298 (cal/mol*K) = -1.65
G298 (kcal/mol) = 27.10

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(175); H(25), C7H10(175); C7H9(5)+H(25)(+M)=>C7H10(175)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.529e+00 -2.484e+00 -2.473e-01 3.596e-02 / CHEB/ 1.312e+01 1.773e+00 -4.643e-02 -6.698e-02 / CHEB/ 2.936e-01 7.115e-01 1.540e-01 -3.266e-02 / CHEB/ -6.440e-02 8.125e-02 9.364e-02 2.948e-04 / CHEB/ 4.213e-02 -9.653e-02 3.360e-04 1.095e-02 / CHEB/ 1.028e-01 -9.625e-02 -3.654e-02 4.471e-03 /

424.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-5.6	-3.8	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-16.6	-6.8	-4.4	-4.0

Chebyshev(coeffs=[[-8.00666,-2.71632,-0.217751,0.0277671],[11.1241,1.50241,-0.187327,-0.0533942],[-0.105749,0.652563,0.0951906,-0.0366184],[-0.493357,0.0897806,0.0939306,-0.00268128],[-0.271017,-0.0554078,0.0233192,0.0118173],[-0.084145,-0.0288113,-0.0117841,0.00584551]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.44
S298 (cal/mol*K) = -1.88
G298 (kcal/mol) = 21.00

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(176); H(25), C7H10(176); C7H9(5)+H(25)(+M)=>C7H10(176)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.007e+00 -2.716e+00 -2.178e-01 2.777e-02 / CHEB/ 1.112e+01 1.502e+00 -1.873e-01 -5.339e-02 / CHEB/ -1.057e-01 6.526e-01 9.519e-02 -3.662e-02 / CHEB/ -4.934e-01 8.978e-02 9.393e-02 -2.681e-03 / CHEB/ -2.710e-01 -5.541e-02 2.332e-02 1.182e-02 / CHEB/ -8.415e-02 -2.881e-02 -1.178e-02 5.846e-03 /

425.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.7	-7.6	-5.4	-4.9
log₁₀(k(10 bar)/[mole,m,s])	-19.6	-8.6	-5.8	-5.2

Chebyshev(coeffs=[[-11.2953,-2.53148,-0.308123,0.0337881],[13.2241,1.60254,-0.0769901,-0.0766707],[-0.255969,0.568633,0.124416,-0.0305188],[-0.469092,0.0288595,0.0819634,0.00567707],[-0.234895,-0.0674188,0.00980965,0.0138927],[-0.0685711,-0.0258844,-0.0144069,0.00436712]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.26
S298 (cal/mol*K) = -3.36
G298 (kcal/mol) = 30.27

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(177); H(25), C7H10(177); C7H9(5)+H(25)(+M)=>C7H10(177)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.130e+01 -2.531e+00 -3.081e-01 3.379e-02 / CHEB/ 1.322e+01 1.603e+00 -7.699e-02 -7.667e-02 / CHEB/ -2.560e-01 5.686e-01 1.244e-01 -3.052e-02 / CHEB/ -4.691e-01 2.886e-02 8.196e-02 5.677e-03 / CHEB/ -2.349e-01 -6.742e-02 9.810e-03 1.389e-02 / CHEB/ -6.857e-02 -2.588e-02 -1.441e-02 4.367e-03 /

426.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-5.3	-3.5	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-16.5	-6.5	-4.0	-3.5

Chebyshev(coeffs=[[-7.9028,-2.70192,-0.226789,0.0287115],[11.4184,1.51818,-0.177133,-0.0560023],[-0.105077,0.644786,0.0986281,-0.0361273],[-0.485999,0.0833956,0.0929071,-0.00200222],[-0.265722,-0.0567354,0.0219611,0.0120776],[-0.0819191,-0.0285551,-0.0120599,0.00578003]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.64
S298 (cal/mol*K) = -2.30
G298 (kcal/mol) = 23.33

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(178); H(25), C7H10(178); C7H9(5)+H(25)(+M)=>C7H10(178)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.903e+00 -2.702e+00 -2.268e-01 2.871e-02 / CHEB/ 1.142e+01 1.518e+00 -1.771e-01 -5.600e-02 / CHEB/ -1.051e-01 6.448e-01 9.863e-02 -3.613e-02 / CHEB/ -4.860e-01 8.340e-02 9.291e-02 -2.002e-03 / CHEB/ -2.657e-01 -5.674e-02 2.196e-02 1.208e-02 / CHEB/ -8.192e-02 -2.856e-02 -1.206e-02 5.780e-03 /

427.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.3	-6.6	-3.5	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-18.1	-7.4	-3.6	-1.8

Chebyshev(coeffs=[[-9.42064,-2.4045,-0.2053,0.0539825],[13.24,1.79612,-0.0489255,-0.0733135],[0.325178,0.636997,0.101131,-0.0582077],[-0.0648472,0.0315058,0.0705638,-0.00591358],[0.0202939,-0.112844,0.00558449,0.0186874],[0.0638394,-0.100026,-0.0233178,0.0135423]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.61
S298 (cal/mol*K) = -1.65
G298 (kcal/mol) = 27.10

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(179); H(25), C7H10(179); C7H9(5)+H(25)(+M)=>C7H10(179)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.421e+00 -2.404e+00 -2.053e-01 5.398e-02 / CHEB/ 1.324e+01 1.796e+00 -4.893e-02 -7.331e-02 / CHEB/ 3.252e-01 6.370e-01 1.011e-01 -5.821e-02 / CHEB/ -6.485e-02 3.151e-02 7.056e-02 -5.914e-03 / CHEB/ 2.029e-02 -1.128e-01 5.584e-03 1.869e-02 / CHEB/ 6.384e-02 -1.000e-01 -2.332e-02 1.354e-02 /

428.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-1.7	-0.1	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-8.3	-1.9	-0.2	+0.4

Chebyshev(coeffs=[[-1.45008,-0.809098,-0.233123,-0.000210685],[8.21742,0.720519,0.130785,-0.0483871],[-0.063102,0.120428,0.082271,0.0168611],[-0.220627,-0.0535837,0.00847881,0.0195326],[-0.0819612,-0.0428222,-0.0178844,0.00284248],[-0.0314783,-0.0102224,-0.0105682,-0.00446015]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.64
S298 (cal/mol*K) = -2.30
G298 (kcal/mol) = 23.33

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(180); H(25), C7H10(180); C7H9(5)+H(25)(+M)=>C7H10(180)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.450e+00 -8.091e-01 -2.331e-01 -2.107e-04 / CHEB/ 8.217e+00 7.205e-01 1.308e-01 -4.839e-02 / CHEB/ -6.310e-02 1.204e-01 8.227e-02 1.686e-02 / CHEB/ -2.206e-01 -5.358e-02 8.479e-03 1.953e-02 / CHEB/ -8.196e-02 -4.282e-02 -1.788e-02 2.842e-03 / CHEB/ -3.148e-02 -1.022e-02 -1.057e-02 -4.460e-03 /

429.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-0.5	+1.7	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-10.6	-1.1	+1.5	+2.4

Chebyshev(coeffs=[[-1.98442,-2.26114,-0.0374432,-0.0127701],[10.5717,1.82328,-0.132733,-0.0277521],[0.35261,0.494713,0.0241085,0.000428601],[-0.35574,-0.064885,0.047655,-0.00437592],[-0.145519,-0.0709089,0.0322948,0.00241931],[-0.033026,-0.0532877,-0.000830637,0.0106693]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.50
S298 (cal/mol*K) = 4.41
G298 (kcal/mol) = 19.19

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(181); H(25), C7H10(181); C7H9(5)+H(25)(+M)=>C7H10(181)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.984e+00 -2.261e+00 -3.744e-02 -1.277e-02 / CHEB/ 1.057e+01 1.823e+00 -1.327e-01 -2.775e-02 / CHEB/ 3.526e-01 4.947e-01 2.411e-02 4.286e-04 / CHEB/ -3.557e-01 -6.489e-02 4.766e-02 -4.376e-03 / CHEB/ -1.455e-01 -7.091e-02 3.229e-02 2.419e-03 / CHEB/ -3.303e-02 -5.329e-02 -8.306e-04 1.067e-02 /

430.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.6	-1.1	+1.3	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-13.5	-2.0	+0.9	+1.7

Chebyshev(coeffs=[[-5.22721,-2.43757,-0.338181,0.0330632],[13.9484,1.62,-0.0341194,-0.0830801],[-0.240049,0.530584,0.135198,-0.0267689],[-0.441162,0.00403537,0.0760925,0.00971386],[-0.231285,-0.0713498,0.0033899,0.0141674],[-0.046762,-0.0247051,-0.0154635,0.00326023]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.35
S298 (cal/mol*K) = 12.06
G298 (kcal/mol) = 17.75

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(182); H(25), C7H10(182); C7H9(5)+H(25)(+M)=>C7H10(182)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.227e+00 -2.438e+00 -3.382e-01 3.306e-02 / CHEB/ 1.395e+01 1.620e+00 -3.412e-02 -8.308e-02 / CHEB/ -2.400e-01 5.306e-01 1.352e-01 -2.677e-02 / CHEB/ -4.412e-01 4.035e-03 7.609e-02 9.714e-03 / CHEB/ -2.313e-01 -7.135e-02 3.390e-03 1.417e-02 / CHEB/ -4.676e-02 -2.471e-02 -1.546e-02 3.260e-03 /

431.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.6	-1.1	+1.3	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-13.5	-2.0	+0.9	+1.7

H298 (kcal/mol) = 21.35
S298 (cal/mol*K) = 10.69
G298 (kcal/mol) = 18.16

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(183); H(25), C7H10(183); C7H9(5)+H(25)(+M)=>C7H10(183)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.227e+00 -2.438e+00 -3.382e-01 3.306e-02 / CHEB/ 1.395e+01 1.620e+00 -3.412e-02 -8.308e-02 / CHEB/ -2.400e-01 5.306e-01 1.352e-01 -2.677e-02 / CHEB/ -4.412e-01 4.035e-03 7.609e-02 9.714e-03 / CHEB/ -2.313e-01 -7.135e-02 3.390e-03 1.417e-02 / CHEB/ -4.676e-02 -2.471e-02 -1.546e-02 3.260e-03 /

432.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	+0.0	+3.4	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-0.4	+3.3	+5.0

Chebyshev(coeffs=[[-2.06758,-1.29713,-0.0923769,0.0141998],[12.3086,0.868039,-0.144005,-0.0735874],[0.765169,0.326006,0.0608461,-0.016439],[0.0514356,0.00588565,0.0505529,0.00467026],[-0.0305468,-0.0607588,0.0207177,0.0116899],[-0.0229492,-0.0400032,-0.00225948,0.00829624]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.47
S298 (cal/mol*K) = 11.68
G298 (kcal/mol) = 18.99

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(184); H(25), C7H10(184); C7H9(5)+H(25)(+M)=>C7H10(184)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.068e+00 -1.297e+00 -9.238e-02 1.420e-02 / CHEB/ 1.231e+01 8.680e-01 -1.440e-01 -7.359e-02 / CHEB/ 7.652e-01 3.260e-01 6.085e-02 -1.644e-02 / CHEB/ 5.144e-02 5.886e-03 5.055e-02 4.670e-03 / CHEB/ -3.055e-02 -6.076e-02 2.072e-02 1.169e-02 / CHEB/ -2.295e-02 -4.000e-02 -2.259e-03 8.296e-03 /

433.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.2	-5.5	-3.4	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-17.2	-6.5	-3.9	-3.3

Chebyshev(coeffs=[[-8.79518,-2.58666,-0.285503,0.0330765],[12.6236,1.58832,-0.106328,-0.0714183],[-0.237724,0.591446,0.117892,-0.0324327],[-0.480611,0.0438547,0.0854069,0.00327053],[-0.24568,-0.0646959,0.0132973,0.0135157],[-0.0729167,-0.0267883,-0.0137819,0.00490775]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.74
S298 (cal/mol*K) = -7.13
G298 (kcal/mol) = 29.86

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(185); H(25), C7H10(185); C7H9(5)+H(25)(+M)=>C7H10(185)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.795e+00 -2.587e+00 -2.855e-01 3.308e-02 / CHEB/ 1.262e+01 1.588e+00 -1.063e-01 -7.142e-02 / CHEB/ -2.377e-01 5.914e-01 1.179e-01 -3.243e-02 / CHEB/ -4.806e-01 4.385e-02 8.541e-02 3.271e-03 / CHEB/ -2.457e-01 -6.470e-02 1.330e-02 1.352e-02 / CHEB/ -7.292e-02 -2.679e-02 -1.378e-02 4.908e-03 /

434.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-1.5	-0.6	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-3.0	-1.5	-1.6

Chebyshev(coeffs=[[-0.527298,-2.79946,-0.0828142,-0.0234562],[5.98559,0.840973,-0.280417,0.0427121],[0.303594,0.745113,-0.0267665,-0.0575571],[-0.537557,0.251644,0.100657,-0.0150784],[-0.336288,-0.00856464,0.0586455,0.0119087],[-0.120213,-0.0386042,-0.00108507,0.00659937]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.62
S298 (cal/mol*K) = -16.34
G298 (kcal/mol) = 9.49

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(186); H(25), C7H10(186); C7H9(5)+H(25)(+M)=>C7H10(186)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.273e-01 -2.799e+00 -8.281e-02 -2.346e-02 / CHEB/ 5.986e+00 8.410e-01 -2.804e-01 4.271e-02 / CHEB/ 3.036e-01 7.451e-01 -2.677e-02 -5.756e-02 / CHEB/ -5.376e-01 2.516e-01 1.007e-01 -1.508e-02 / CHEB/ -3.363e-01 -8.565e-03 5.865e-02 1.191e-02 / CHEB/ -1.202e-01 -3.860e-02 -1.085e-03 6.599e-03 /

435.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.1	-2.1	+0.5	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-11.9	-2.5	+0.3	+1.3

Chebyshev(coeffs=[[-4.82639,-1.12557,-0.307479,-0.0628953],[12.6644,0.705829,0.0723253,-0.00379246],[-0.215674,0.163044,0.0277808,-0.0199983],[-0.164196,-0.00537887,0.0238547,-0.00339753],[-0.085202,-0.0128306,0.0167818,0.00984487],[-0.038503,-0.0058554,0.00345144,0.00751851]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.38
S298 (cal/mol*K) = 24.05
G298 (kcal/mol) = 35.22

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H5(156); H(25), C3H5(129); C7H9(5)+H(25)(+M)=>C3H5(129)+C4H5(156)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.826e+00 -1.126e+00 -3.075e-01 -6.290e-02 / CHEB/ 1.266e+01 7.058e-01 7.233e-02 -3.792e-03 / CHEB/ -2.157e-01 1.630e-01 2.778e-02 -2.000e-02 / CHEB/ -1.642e-01 -5.379e-03 2.385e-02 -3.398e-03 / CHEB/ -8.520e-02 -1.283e-02 1.678e-02 9.845e-03 / CHEB/ -3.850e-02 -5.855e-03 3.451e-03 7.519e-03 /

436.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.2	-5.7	-2.1	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-18.0	-6.0	-2.3	-0.7

Chebyshev(coeffs=[[-10.6222,-0.966091,-0.318786,-0.0518911],[16.1706,0.619798,0.105901,-0.0219981],[-0.0499355,0.133796,0.0374055,-0.0135652],[-0.105379,-0.0179288,0.0183998,0.00548785],[-0.0674228,-0.0132501,0.00820395,0.0100127],[-0.0387805,-0.0029815,0.000122176,0.00469421]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 52.20
S298 (cal/mol*K) = 14.41
G298 (kcal/mol) = 47.91

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(187); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(187)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.062e+01 -9.661e-01 -3.188e-01 -5.189e-02 / CHEB/ 1.617e+01 6.198e-01 1.059e-01 -2.200e-02 / CHEB/ -4.994e-02 1.338e-01 3.741e-02 -1.357e-02 / CHEB/ -1.054e-01 -1.793e-02 1.840e-02 5.488e-03 / CHEB/ -6.742e-02 -1.325e-02 8.204e-03 1.001e-02 / CHEB/ -3.878e-02 -2.981e-03 1.222e-04 4.694e-03 /

437.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.6	-3.3	-0.5	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-3.8	-0.7	+0.6

Chebyshev(coeffs=[[-5.97155,-1.20441,-0.305653,-0.0747872],[12.6583,0.741153,0.0631735,0.0123653],[0.0927603,0.178166,0.0201092,-0.0210172],[-0.0841402,0.00332833,0.0232792,-0.0092446],[-0.0593167,-0.0107508,0.0211957,0.00823132],[-0.025889,-0.00686631,0.00639972,0.00860331]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.10
S298 (cal/mol*K) = 6.85
G298 (kcal/mol) = 37.06

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(188); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(188)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.972e+00 -1.204e+00 -3.057e-01 -7.479e-02 / CHEB/ 1.266e+01 7.412e-01 6.317e-02 1.237e-02 / CHEB/ 9.276e-02 1.782e-01 2.011e-02 -2.102e-02 / CHEB/ -8.414e-02 3.328e-03 2.328e-02 -9.245e-03 / CHEB/ -5.932e-02 -1.075e-02 2.120e-02 8.231e-03 / CHEB/ -2.589e-02 -6.866e-03 6.400e-03 8.603e-03 /

438.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.6	-7.1	-2.9	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-21.2	-7.4	-3.0	-1.1

Chebyshev(coeffs=[[-13.8121,-0.810984,-0.321863,-0.0568973],[18.994,0.524822,0.137144,-0.0190012],[-0.061944,0.10697,0.0391442,-0.00573618],[-0.108664,-0.02494,0.00939623,0.00941397],[-0.0736656,-0.01044,0.00233852,0.00758652],[-0.0468885,-4.07509e-05,-0.000542689,0.00208858]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.70
S298 (cal/mol*K) = 15.05
G298 (kcal/mol) = 57.21

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(189); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(189)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.381e+01 -8.110e-01 -3.219e-01 -5.690e-02 / CHEB/ 1.899e+01 5.248e-01 1.371e-01 -1.900e-02 / CHEB/ -6.194e-02 1.070e-01 3.914e-02 -5.736e-03 / CHEB/ -1.087e-01 -2.494e-02 9.396e-03 9.414e-03 / CHEB/ -7.367e-02 -1.044e-02 2.339e-03 7.587e-03 / CHEB/ -4.689e-02 -4.075e-05 -5.427e-04 2.089e-03 /

439.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.4	-5.5	-2.0	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-17.1	-5.8	-2.2	-0.7

Chebyshev(coeffs=[[-9.65905,-1.03945,-0.312111,-0.054867],[15.0989,0.669281,0.0899886,-0.0158546],[0.0625877,0.146439,0.0350777,-0.0168509],[-0.0731105,-0.0141644,0.0220127,0.00226362],[-0.0830397,-0.013899,0.0117054,0.0106341],[-0.0302872,-0.00457901,0.00108558,0.00599295]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.90
S298 (cal/mol*K) = 6.73
G298 (kcal/mol) = 44.89

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(190); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(190)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.659e+00 -1.039e+00 -3.121e-01 -5.487e-02 / CHEB/ 1.510e+01 6.693e-01 8.999e-02 -1.585e-02 / CHEB/ 6.259e-02 1.464e-01 3.508e-02 -1.685e-02 / CHEB/ -7.311e-02 -1.416e-02 2.201e-02 2.264e-03 / CHEB/ -8.304e-02 -1.390e-02 1.171e-02 1.063e-02 / CHEB/ -3.029e-02 -4.579e-03 1.086e-03 5.993e-03 /

440.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.2	-9.3	-4.6	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-24.8	-9.5	-4.7	-2.6

Chebyshev(coeffs=[[-17.3211,-0.715911,-0.313772,-0.0643245],[21.016,0.463436,0.147861,-0.00992457],[-0.0556622,0.0911151,0.037239,-0.001243],[-0.111491,-0.0269584,0.00398323,0.00967164],[-0.0791433,-0.0077446,0.000406838,0.00541507],[-0.052143,0.00147335,-0.000248537,0.000862309]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 68.20
S298 (cal/mol*K) = 12.35
G298 (kcal/mol) = 64.52

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(191); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(191)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.732e+01 -7.159e-01 -3.138e-01 -6.432e-02 / CHEB/ 2.102e+01 4.634e-01 1.479e-01 -9.925e-03 / CHEB/ -5.566e-02 9.112e-02 3.724e-02 -1.243e-03 / CHEB/ -1.115e-01 -2.696e-02 3.983e-03 9.672e-03 / CHEB/ -7.914e-02 -7.745e-03 4.068e-04 5.415e-03 / CHEB/ -5.214e-02 1.473e-03 -2.485e-04 8.623e-04 /

441.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.2	-9.3	-4.6	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-24.8	-9.5	-4.7	-2.6

H298 (kcal/mol) = 68.20
S298 (cal/mol*K) = 12.35
G298 (kcal/mol) = 64.52

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(192); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(192)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.732e+01 -7.159e-01 -3.138e-01 -6.432e-02 / CHEB/ 2.102e+01 4.634e-01 1.479e-01 -9.925e-03 / CHEB/ -5.566e-02 9.112e-02 3.724e-02 -1.243e-03 / CHEB/ -1.115e-01 -2.696e-02 3.983e-03 9.672e-03 / CHEB/ -7.914e-02 -7.745e-03 4.068e-04 5.415e-03 / CHEB/ -5.214e-02 1.473e-03 -2.485e-04 8.623e-04 /

442.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-5.1	-1.2	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-5.4	-1.4	+0.4

Chebyshev(coeffs=[[-11.3106,-0.829567,-0.321562,-0.0552403],[18.0769,0.539573,0.135045,-0.0198123],[-0.171573,0.112057,0.0404942,-0.00616078],[-0.13709,-0.0232318,0.0112963,0.00953203],[-0.0804433,-0.0103162,0.00332923,0.0082319],[-0.0478652,-0.000118829,-0.000363339,0.00250302]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.70
S298 (cal/mol*K) = 23.78
G298 (kcal/mol) = 50.61

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(193); H(25), CH2(137); C7H9(5)+H(25)(+M)=>CH2(137)+C6H8(193)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.131e+01 -8.296e-01 -3.216e-01 -5.524e-02 / CHEB/ 1.808e+01 5.396e-01 1.350e-01 -1.981e-02 / CHEB/ -1.716e-01 1.121e-01 4.049e-02 -6.161e-03 / CHEB/ -1.371e-01 -2.323e-02 1.130e-02 9.532e-03 / CHEB/ -8.044e-02 -1.032e-02 3.329e-03 8.232e-03 / CHEB/ -4.787e-02 -1.188e-04 -3.633e-04 2.503e-03 /

443.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	+0.1	+1.8	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-0.5	+1.4	+2.2

Chebyshev(coeffs=[[0.774366,-1.5071,-0.359111,-0.0767362],[7.42962,0.847226,0.105626,0.00479549],[0.20045,0.215114,-0.00313204,0.00318021],[-0.134281,0.0399358,-0.00424197,-0.015397],[-0.0903033,0.015206,0.0246068,-0.00653029],[-0.0247708,-0.000117567,0.0199598,0.00386047]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.62
S298 (cal/mol*K) = -6.43
G298 (kcal/mol) = 15.54

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(194); H(25), C7H10(194); C7H9(5)+H(25)(+M)=>C7H10(194)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.744e-01 -1.507e+00 -3.591e-01 -7.674e-02 / CHEB/ 7.430e+00 8.472e-01 1.056e-01 4.795e-03 / CHEB/ 2.004e-01 2.151e-01 -3.132e-03 3.180e-03 / CHEB/ -1.343e-01 3.994e-02 -4.242e-03 -1.540e-02 / CHEB/ -9.030e-02 1.521e-02 2.461e-02 -6.530e-03 / CHEB/ -2.477e-02 -1.176e-04 1.996e-02 3.860e-03 /

444.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	+0.2	+1.9	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-0.5	+1.5	+2.3

Chebyshev(coeffs=[[0.776203,-1.5045,-0.358728,-0.0771701],[7.5785,0.845756,0.105403,0.00540913],[0.223715,0.215272,-0.00319326,0.00299264],[-0.126253,0.0398029,-0.00401397,-0.0155176],[-0.087635,0.0149287,0.0247061,-0.0064612],[-0.0238576,-0.000262748,0.019904,0.0039508]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.02
S298 (cal/mol*K) = -5.78
G298 (kcal/mol) = 15.75

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(195); H(25), C7H10(195); C7H9(5)+H(25)(+M)=>C7H10(195)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.762e-01 -1.504e+00 -3.587e-01 -7.717e-02 / CHEB/ 7.578e+00 8.458e-01 1.054e-01 5.409e-03 / CHEB/ 2.237e-01 2.153e-01 -3.193e-03 2.993e-03 / CHEB/ -1.263e-01 3.980e-02 -4.014e-03 -1.552e-02 / CHEB/ -8.764e-02 1.493e-02 2.471e-02 -6.461e-03 / CHEB/ -2.386e-02 -2.627e-04 1.990e-02 3.951e-03 /

445.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-1.0	+1.3	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-1.6	+1.0	+2.1

Chebyshev(coeffs=[[-2.05074,-1.35155,-0.323851,-0.0928009],[10.1309,0.789368,0.0753869,0.0319918],[0.161307,0.205421,0.00316703,-0.013033],[-0.0966446,0.024023,0.0130864,-0.0183551],[-0.0682594,-0.00164761,0.0269684,0.00136755],[-0.0224147,-0.00646618,0.0138455,0.00851938]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.62
S298 (cal/mol*K) = -6.43
G298 (kcal/mol) = 15.54

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(196); H(25), C7H10(196); C7H9(5)+H(25)(+M)=>C7H10(196)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.051e+00 -1.352e+00 -3.239e-01 -9.280e-02 / CHEB/ 1.013e+01 7.894e-01 7.539e-02 3.199e-02 / CHEB/ 1.613e-01 2.054e-01 3.167e-03 -1.303e-02 / CHEB/ -9.664e-02 2.402e-02 1.309e-02 -1.836e-02 / CHEB/ -6.826e-02 -1.648e-03 2.697e-02 1.368e-03 / CHEB/ -2.241e-02 -6.466e-03 1.385e-02 8.519e-03 /

446.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	-0.1	+1.8	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-6.4	-0.7	+1.4	+2.4

Chebyshev(coeffs=[[1.10315,-0.877983,-0.0436907,0.00894114],[7.00604,0.225177,-0.176394,-0.0394464],[0.417434,0.259569,-0.010305,-0.0247113],[-0.0395221,0.112153,0.0319309,-0.00832763],[-0.0596012,0.0142653,0.0308668,1.58997e-05],[-0.017702,-0.0187088,0.0120842,0.00272185]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.02
S298 (cal/mol*K) = -5.78
G298 (kcal/mol) = 15.75

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(197); H(25), C7H10(197); C7H9(5)+H(25)(+M)=>C7H10(197)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.103e+00 -8.780e-01 -4.369e-02 8.941e-03 / CHEB/ 7.006e+00 2.252e-01 -1.764e-01 -3.945e-02 / CHEB/ 4.174e-01 2.596e-01 -1.030e-02 -2.471e-02 / CHEB/ -3.952e-02 1.122e-01 3.193e-02 -8.328e-03 / CHEB/ -5.960e-02 1.427e-02 3.087e-02 1.590e-05 / CHEB/ -1.770e-02 -1.871e-02 1.208e-02 2.722e-03 /

447.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-1.0	+1.3	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-1.6	+1.0	+2.1

H298 (kcal/mol) = 13.62
S298 (cal/mol*K) = -5.05
G298 (kcal/mol) = 15.13

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(198); H(25), C7H10(198); C7H9(5)+H(25)(+M)=>C7H10(198)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.051e+00 -1.352e+00 -3.239e-01 -9.280e-02 / CHEB/ 1.013e+01 7.894e-01 7.539e-02 3.199e-02 / CHEB/ 1.613e-01 2.054e-01 3.167e-03 -1.303e-02 / CHEB/ -9.664e-02 2.402e-02 1.309e-02 -1.836e-02 / CHEB/ -6.826e-02 -1.648e-03 2.697e-02 1.368e-03 / CHEB/ -2.241e-02 -6.466e-03 1.385e-02 8.519e-03 /

448.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	-1.0	+0.5	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-1.6	+0.1	+0.8

Chebyshev(coeffs=[[0.227559,-1.57414,-0.36564,-0.0672436],[6.60487,0.883072,0.106292,-0.00757979],[0.244361,0.212776,0.000349923,0.00559894],[-0.141774,0.0416576,-0.00941835,-0.011904],[-0.0968121,0.0226641,0.021325,-0.00755505],[-0.0257589,0.00409673,0.0209653,0.00154927]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.62
S298 (cal/mol*K) = -6.43
G298 (kcal/mol) = 15.54

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(199); H(25), C7H10(199); C7H9(5)+H(25)(+M)=>C7H10(199)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.276e-01 -1.574e+00 -3.656e-01 -6.724e-02 / CHEB/ 6.605e+00 8.831e-01 1.063e-01 -7.580e-03 / CHEB/ 2.444e-01 2.128e-01 3.499e-04 5.599e-03 / CHEB/ -1.418e-01 4.166e-02 -9.418e-03 -1.190e-02 / CHEB/ -9.681e-02 2.266e-02 2.132e-02 -7.555e-03 / CHEB/ -2.576e-02 4.097e-03 2.097e-02 1.549e-03 /

449.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-2.3	-0.3	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-10.0	-2.9	-0.7	+0.3

Chebyshev(coeffs=[[-2.62056,-1.41132,-0.338745,-0.0904847],[8.96405,0.807406,0.0893067,0.0259606],[0.163045,0.212494,-0.00174048,-0.00611271],[-0.114087,0.0319919,0.00615554,-0.0188608],[-0.0775423,0.00434016,0.0271758,-0.00226746],[-0.0232374,-0.00476095,0.0167654,0.0071556]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.12
S298 (cal/mol*K) = -5.78
G298 (kcal/mol) = 24.85

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(200); H(25), C7H10(200); C7H9(5)+H(25)(+M)=>C7H10(200)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.621e+00 -1.411e+00 -3.387e-01 -9.048e-02 / CHEB/ 8.964e+00 8.074e-01 8.931e-02 2.596e-02 / CHEB/ 1.630e-01 2.125e-01 -1.740e-03 -6.113e-03 / CHEB/ -1.141e-01 3.199e-02 6.156e-03 -1.886e-02 / CHEB/ -7.754e-02 4.340e-03 2.718e-02 -2.267e-03 / CHEB/ -2.324e-02 -4.761e-03 1.677e-02 7.156e-03 /

450.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-2.6	-0.5	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-3.1	-0.9	+0.0

Chebyshev(coeffs=[[-2.79125,-1.41132,-0.338745,-0.0904847],[8.8973,0.807406,0.0893067,0.0259606],[0.148305,0.212494,-0.00174048,-0.00611271],[-0.118427,0.0319919,0.00615554,-0.0188608],[-0.0789791,0.00434016,0.0271758,-0.00226746],[-0.0237436,-0.00476095,0.0167654,0.0071556]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.12
S298 (cal/mol*K) = -5.78
G298 (kcal/mol) = 24.85

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(201); H(25), C7H10(201); C7H9(5)+H(25)(+M)=>C7H10(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.791e+00 -1.411e+00 -3.387e-01 -9.048e-02 / CHEB/ 8.897e+00 8.074e-01 8.931e-02 2.596e-02 / CHEB/ 1.483e-01 2.125e-01 -1.740e-03 -6.113e-03 / CHEB/ -1.184e-01 3.199e-02 6.156e-03 -1.886e-02 / CHEB/ -7.898e-02 4.340e-03 2.718e-02 -2.267e-03 / CHEB/ -2.374e-02 -4.761e-03 1.677e-02 7.156e-03 /

451.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	+0.4	+2.2	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-6.2	-0.2	+1.8	+2.6

Chebyshev(coeffs=[[1.26355,-1.54441,-0.363604,-0.0710975],[7.29564,0.866581,0.107151,-0.00278583],[0.300146,0.214037,-0.0015398,0.00496844],[-0.116529,0.0412476,-0.00738022,-0.0134348],[-0.0867152,0.0194137,0.0228863,-0.00730303],[-0.0227098,0.00215042,0.0206428,0.00253027]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.62
S298 (cal/mol*K) = -3.84
G298 (kcal/mol) = 16.77

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(202); H(25), C7H10(202); C7H9(5)+H(25)(+M)=>C7H10(202)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.264e+00 -1.544e+00 -3.636e-01 -7.110e-02 / CHEB/ 7.296e+00 8.666e-01 1.072e-01 -2.786e-03 / CHEB/ 3.001e-01 2.140e-01 -1.540e-03 4.968e-03 / CHEB/ -1.165e-01 4.125e-02 -7.380e-03 -1.343e-02 / CHEB/ -8.672e-02 1.941e-02 2.289e-02 -7.303e-03 / CHEB/ -2.271e-02 2.150e-03 2.064e-02 2.530e-03 /

452.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-0.9	+1.4	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-9.1	-1.4	+1.1	+2.1

Chebyshev(coeffs=[[-1.70442,-1.36746,-0.327644,-0.0928795],[9.85592,0.793968,0.0789561,0.0313015],[0.170872,0.207623,0.00159727,-0.0112813],[-0.0986498,0.0263028,0.0113224,-0.0187398],[-0.0697765,-0.000148633,0.0271811,0.000391574],[-0.0221908,-0.00613439,0.0146613,0.00823872]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.18
S298 (cal/mol*K) = -2.19
G298 (kcal/mol) = 26.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(203); H(25), C7H10(203); C7H9(5)+H(25)(+M)=>C7H10(203)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.704e+00 -1.367e+00 -3.276e-01 -9.288e-02 / CHEB/ 9.856e+00 7.940e-01 7.896e-02 3.130e-02 / CHEB/ 1.709e-01 2.076e-01 1.597e-03 -1.128e-02 / CHEB/ -9.865e-02 2.630e-02 1.132e-02 -1.874e-02 / CHEB/ -6.978e-02 -1.486e-04 2.718e-02 3.916e-04 / CHEB/ -2.219e-02 -6.134e-03 1.466e-02 8.239e-03 /

453.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-0.9	+2.6	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-1.3	+2.4	+4.0

Chebyshev(coeffs=[[-5.05843,-1.05063,-0.311766,-0.0555865],[15.1158,0.672678,0.0871075,-0.0147478],[0.122712,0.147545,0.0340111,-0.0174297],[-0.0600473,-0.0130446,0.0221665,0.00152462],[-0.0698177,-0.0135235,0.0121945,0.0104878],[-0.016836,-0.00486511,0.00120375,0.00615004]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.03
S298 (cal/mol*K) = 5.46
G298 (kcal/mol) = 25.40

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(204); H(25), C7H10(204); C7H9(5)+H(25)(+M)=>C7H10(204)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.058e+00 -1.051e+00 -3.118e-01 -5.559e-02 / CHEB/ 1.512e+01 6.727e-01 8.711e-02 -1.475e-02 / CHEB/ 1.227e-01 1.475e-01 3.401e-02 -1.743e-02 / CHEB/ -6.005e-02 -1.304e-02 2.217e-02 1.525e-03 / CHEB/ -6.982e-02 -1.352e-02 1.219e-02 1.049e-02 / CHEB/ -1.684e-02 -4.865e-03 1.204e-03 6.150e-03 /

454.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-0.9	+2.6	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-1.3	+2.4	+4.0

H298 (kcal/mol) = 27.03
S298 (cal/mol*K) = 4.08
G298 (kcal/mol) = 25.81

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(205); H(25), C7H10(205); C7H9(5)+H(25)(+M)=>C7H10(205)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.058e+00 -1.051e+00 -3.118e-01 -5.559e-02 / CHEB/ 1.512e+01 6.727e-01 8.711e-02 -1.475e-02 / CHEB/ 1.227e-01 1.475e-01 3.401e-02 -1.743e-02 / CHEB/ -6.005e-02 -1.304e-02 2.217e-02 1.525e-03 / CHEB/ -6.982e-02 -1.352e-02 1.219e-02 1.049e-02 / CHEB/ -1.684e-02 -4.865e-03 1.204e-03 6.150e-03 /

456.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-3.7	-1.3	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-11.4	-3.0	-0.4	+0.6

Chebyshev(coeffs=[[-11.5884,1.47663,-0.0920034,0.0224872],[11.613,0.246357,-0.0618209,-0.0539739],[-0.236663,0.114233,0.0389052,-0.0149695],[-0.0885897,0.0160078,0.0290923,0.00828947],[-0.073432,-0.000352717,0.0103876,0.0112608],[-0.0396965,0.00278071,0.000279603,0.00266747]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.87
S298 (cal/mol*K) = -10.34
G298 (kcal/mol) = 41.95

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H9(24); C7H10(18), H(25); C7H10(18)(+M)=>C7H9(24)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.159e+01 1.477e+00 -9.200e-02 2.249e-02 / CHEB/ 1.161e+01 2.464e-01 -6.182e-02 -5.397e-02 / CHEB/ -2.367e-01 1.142e-01 3.891e-02 -1.497e-02 / CHEB/ -8.859e-02 1.601e-02 2.909e-02 8.289e-03 / CHEB/ -7.343e-02 -3.527e-04 1.039e-02 1.126e-02 / CHEB/ -3.970e-02 2.781e-03 2.796e-04 2.667e-03 /

457.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+3.2	+4.5	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-0.3	+3.9	+5.2	+5.8

Chebyshev(coeffs=[[-0.933321,1.50447,-0.0444857,-0.0685746],[6.08125,0.0418627,-0.0445631,0.0781015],[-0.232113,0.153276,-0.0418664,0.000353411],[-0.0549494,0.0627926,-0.0102618,-0.0349284],[-0.0503576,0.0159017,0.0249775,-0.0118918],[-0.0277859,-0.000676004,0.0183449,0.0063438]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.38
S298 (cal/mol*K) = 0.57
G298 (kcal/mol) = 18.21

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H9(5); C7H10(18), H(25); C7H10(18)(+M)=>C7H9(5)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.333e-01 1.504e+00 -4.449e-02 -6.857e-02 / CHEB/ 6.081e+00 4.186e-02 -4.456e-02 7.810e-02 / CHEB/ -2.321e-01 1.533e-01 -4.187e-02 3.534e-04 / CHEB/ -5.495e-02 6.279e-02 -1.026e-02 -3.493e-02 / CHEB/ -5.036e-02 1.590e-02 2.498e-02 -1.189e-02 / CHEB/ -2.779e-02 -6.760e-04 1.834e-02 6.344e-03 /

458.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.1	-6.5	-3.3	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-16.5	-5.7	-2.4	-1.0

Chebyshev(coeffs=[[-16.5666,1.54725,-0.15899,-0.00167068],[14.9783,0.245033,0.0294043,-0.0475343],[-0.201138,0.0887796,0.0454938,0.00590117],[-0.0829834,0.00377418,0.0157725,0.0128227],[-0.0735204,-7.19597e-05,0.00422264,0.00616382],[-0.0433517,0.005758,0.00109912,-0.000229049]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.42
S298 (cal/mol*K) = -12.05
G298 (kcal/mol) = 53.01

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(26); C7H10(18)(+M)=>H(25)+C7H9(26)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.657e+01 1.547e+00 -1.590e-01 -1.671e-03 / CHEB/ 1.498e+01 2.450e-01 2.940e-02 -4.753e-02 / CHEB/ -2.011e-01 8.878e-02 4.549e-02 5.901e-03 / CHEB/ -8.298e-02 3.774e-03 1.577e-02 1.282e-02 / CHEB/ -7.352e-02 -7.196e-05 4.223e-03 6.164e-03 / CHEB/ -4.335e-02 5.758e-03 1.099e-03 -2.290e-04 /

459.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.5	-3.6	-0.9	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-11.9	-2.8	-0.0	+1.2

Chebyshev(coeffs=[[-11.9758,1.48642,-0.107144,0.0210429],[12.4861,0.250011,-0.0437778,-0.0572253],[-0.16252,0.10957,0.0419596,-0.0107794],[-0.0685047,0.0131798,0.0267128,0.010185],[-0.0678375,-0.000542233,0.00875406,0.0105523],[-0.0378115,0.00338332,0.000305361,0.00190242]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.22
S298 (cal/mol*K) = -13.15
G298 (kcal/mol) = 44.14

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(27); C7H10(18)(+M)=>H(25)+C7H9(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.198e+01 1.486e+00 -1.071e-01 2.104e-02 / CHEB/ 1.249e+01 2.500e-01 -4.378e-02 -5.723e-02 / CHEB/ -1.625e-01 1.096e-01 4.196e-02 -1.078e-02 / CHEB/ -6.850e-02 1.318e-02 2.671e-02 1.018e-02 / CHEB/ -6.784e-02 -5.422e-04 8.754e-03 1.055e-02 / CHEB/ -3.781e-02 3.383e-03 3.054e-04 1.902e-03 /

460.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.1	+4.1	+4.6	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+3.5	+4.8	+5.3	+5.9

Chebyshev(coeffs=[[2.951,0.834911,-0.190503,-0.0347516],[1.84613,0.834924,0.0959378,0.00205485],[-0.0193686,0.0251664,0.00380344,0.00655133],[0.0067832,-0.045452,-0.0608839,-0.00486854],[0.050173,0.0392488,-0.0343649,-0.0135955],[0.0690106,0.0380514,0.00258939,-0.0137628]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.36
S298 (cal/mol*K) = -18.51
G298 (kcal/mol) = 1.16

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(28); C7H10(18)(+M)=>C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.951e+00 8.349e-01 -1.905e-01 -3.475e-02 / CHEB/ 1.846e+00 8.349e-01 9.594e-02 2.055e-03 / CHEB/ -1.937e-02 2.517e-02 3.803e-03 6.551e-03 / CHEB/ 6.783e-03 -4.545e-02 -6.088e-02 -4.869e-03 / CHEB/ 5.017e-02 3.925e-02 -3.436e-02 -1.360e-02 / CHEB/ 6.901e-02 3.805e-02 2.589e-03 -1.376e-02 /

461.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.6	+2.9	+4.4	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-1.9	+3.5	+5.1	+5.8

Chebyshev(coeffs=[[-2.33399,1.47681,0.00243266,-0.0300693],[7.57061,0.120999,-0.129298,0.0396374],[-0.293845,0.146856,-0.0222668,-0.0240554],[-0.0685437,0.0504619,0.0237794,-0.0228866],[-0.055207,0.00844888,0.0280138,0.00162086],[-0.0344165,-0.00189417,0.00832616,0.00839475]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.04
S298 (cal/mol*K) = -12.89
G298 (kcal/mol) = 22.88

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(29); C7H10(18)(+M)=>C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.334e+00 1.477e+00 2.433e-03 -3.007e-02 / CHEB/ 7.571e+00 1.210e-01 -1.293e-01 3.964e-02 / CHEB/ -2.938e-01 1.469e-01 -2.227e-02 -2.406e-02 / CHEB/ -6.854e-02 5.046e-02 2.378e-02 -2.289e-02 / CHEB/ -5.521e-02 8.449e-03 2.801e-02 1.621e-03 / CHEB/ -3.442e-02 -1.894e-03 8.326e-03 8.395e-03 /

462.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	+0.1	+2.3	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-7.0	+0.8	+3.1	+4.1

Chebyshev(coeffs=[[-7.19358,1.45848,-0.0620336,0.0226789],[10.6967,0.229563,-0.0901651,-0.0423459],[-0.277274,0.123898,0.0232468,-0.0224852],[-0.0596883,0.0250198,0.0314828,0.00170859],[-0.0539223,0.00131358,0.0168231,0.0110729],[-0.0394915,0.00105292,0.00111344,0.00489237]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.04
S298 (cal/mol*K) = -12.89
G298 (kcal/mol) = 22.88

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(30); C7H10(18)(+M)=>C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.194e+00 1.458e+00 -6.203e-02 2.268e-02 / CHEB/ 1.070e+01 2.296e-01 -9.017e-02 -4.235e-02 / CHEB/ -2.773e-01 1.239e-01 2.325e-02 -2.249e-02 / CHEB/ -5.969e-02 2.502e-02 3.148e-02 1.709e-03 / CHEB/ -5.392e-02 1.314e-03 1.682e-02 1.107e-02 / CHEB/ -3.949e-02 1.053e-03 1.113e-03 4.892e-03 /

463.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+3.3	+3.9	+4.1
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+4.0	+4.6	+5.0

Chebyshev(coeffs=[[0.940407,1.29848,-0.208367,-0.0549359],[3.35987,0.286093,0.169049,0.043216],[-0.20679,0.0950987,-0.048422,0.0144239],[-0.0817035,0.0281378,-0.0640824,-0.015152],[-0.0476604,0.040903,0.00229788,-0.0231702],[-0.00395853,0.0156158,0.0233041,-0.00984519]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.49
S298 (cal/mol*K) = -11.18
G298 (kcal/mol) = 11.82

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(31); C7H10(18)(+M)=>C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.404e-01 1.298e+00 -2.084e-01 -5.494e-02 / CHEB/ 3.360e+00 2.861e-01 1.690e-01 4.322e-02 / CHEB/ -2.068e-01 9.510e-02 -4.842e-02 1.442e-02 / CHEB/ -8.170e-02 2.814e-02 -6.408e-02 -1.515e-02 / CHEB/ -4.766e-02 4.090e-02 2.298e-03 -2.317e-02 / CHEB/ -3.959e-03 1.562e-02 2.330e-02 -9.845e-03 /

464.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.6	+1.5	+2.1	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+2.2	+2.8	+3.1

Chebyshev(coeffs=[[-0.706892,1.13831,-0.223828,-0.0320936],[3.14639,0.468432,0.188813,0.0192902],[-0.127527,0.0683405,-0.0304691,0.0221533],[-0.0892612,-0.010128,-0.0628442,-0.00268057],[-0.0713928,0.042902,-0.0110458,-0.0180658],[-0.024632,0.0249806,0.0174941,-0.0121005]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.19
S298 (cal/mol*K) = -21.60
G298 (kcal/mol) = 12.63

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(32); C7H10(18)(+M)=>C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.069e-01 1.138e+00 -2.238e-01 -3.209e-02 / CHEB/ 3.146e+00 4.684e-01 1.888e-01 1.929e-02 / CHEB/ -1.275e-01 6.834e-02 -3.047e-02 2.215e-02 / CHEB/ -8.926e-02 -1.013e-02 -6.284e-02 -2.681e-03 / CHEB/ -7.139e-02 4.290e-02 -1.105e-02 -1.807e-02 / CHEB/ -2.463e-02 2.498e-02 1.749e-02 -1.210e-02 /

465.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.4	+5.5	+5.9	+6.1
log₁₀(k(10 bar)/[mole,m,s])	+4.6	+6.1	+6.7	+6.9

Chebyshev(coeffs=[[4.73944,0.404311,0.24611,0.0270261],[1.29064,1.19567,-0.266104,-0.0369904],[-0.11669,0.238496,-0.128261,-0.0142482],[0.0368587,-0.00892544,-0.00673018,0.0053783],[0.0281765,-0.0429606,0.0212383,0.00991425],[-0.0116033,-0.0121797,0.0289163,-0.00097705]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.21
S298 (cal/mol*K) = -28.60
G298 (kcal/mol) = -8.69

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(33); C7H10(18)(+M)=>C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.739e+00 4.043e-01 2.461e-01 2.703e-02 / CHEB/ 1.291e+00 1.196e+00 -2.661e-01 -3.699e-02 / CHEB/ -1.167e-01 2.385e-01 -1.283e-01 -1.425e-02 / CHEB/ 3.686e-02 -8.925e-03 -6.730e-03 5.378e-03 / CHEB/ 2.818e-02 -4.296e-02 2.124e-02 9.914e-03 / CHEB/ -1.160e-02 -1.218e-02 2.892e-02 -9.771e-04 /

466.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+0.6	+1.4	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+1.3	+2.2	+2.5

Chebyshev(coeffs=[[-2.22892,1.35992,-0.190404,-0.0641713],[4.11166,0.195622,0.150702,0.0633033],[-0.175031,0.116402,-0.0429077,0.0150518],[-0.0778945,0.032999,-0.0604925,-0.0164279],[-0.0653165,0.0328578,0.00658027,-0.0204711],[-0.025016,0.0116633,0.0247484,-0.00663011]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.19
S298 (cal/mol*K) = -22.98
G298 (kcal/mol) = 13.04

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(34); C7H10(18)(+M)=>C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.229e+00 1.360e+00 -1.904e-01 -6.417e-02 / CHEB/ 4.112e+00 1.956e-01 1.507e-01 6.330e-02 / CHEB/ -1.750e-01 1.164e-01 -4.291e-02 1.505e-02 / CHEB/ -7.789e-02 3.300e-02 -6.049e-02 -1.643e-02 / CHEB/ -6.532e-02 3.286e-02 6.580e-03 -2.047e-02 / CHEB/ -2.502e-02 1.166e-02 2.475e-02 -6.630e-03 /

467.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.6	+2.4	+3.2	+3.3
log₁₀(k(10 bar)/[mole,m,s])	+0.1	+3.1	+3.9	+4.1

Chebyshev(coeffs=[[-0.655742,1.45264,-0.133596,-0.0746096],[4.33805,0.0920615,0.0784584,0.078569],[-0.29864,0.135815,-0.0515342,0.0108344],[-0.108842,0.0540658,-0.0417378,-0.0290135],[-0.0697584,0.0254979,0.0187683,-0.0190172],[-0.0270258,0.00403528,0.0238197,0.000272145]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.49
S298 (cal/mol*K) = -9.80
G298 (kcal/mol) = 11.41

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(35); C7H10(18)(+M)=>C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.557e-01 1.453e+00 -1.336e-01 -7.461e-02 / CHEB/ 4.338e+00 9.206e-02 7.846e-02 7.857e-02 / CHEB/ -2.986e-01 1.358e-01 -5.153e-02 1.083e-02 / CHEB/ -1.088e-01 5.407e-02 -4.174e-02 -2.901e-02 / CHEB/ -6.976e-02 2.550e-02 1.877e-02 -1.902e-02 / CHEB/ -2.703e-02 4.035e-03 2.382e-02 2.721e-04 /

468.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	+0.7	+4.0	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-9.9	+1.5	+4.9	+6.4

Chebyshev(coeffs=[[-10.0109,1.58095,-0.17066,-0.0165511],[15.8952,0.233316,0.052376,-0.033824],[-0.294406,0.0800628,0.0438899,0.0106849],[-0.110088,0.00148885,0.0116317,0.0114995],[-0.0819881,0.000720851,0.00321315,0.00438318],[-0.0474531,0.00627204,0.0016855,-0.000374571]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.97
S298 (cal/mol*K) = 2.58
G298 (kcal/mol) = 50.20

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(36); C7H10(18)(+M)=>C7H10(36)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.001e+01 1.581e+00 -1.707e-01 -1.655e-02 / CHEB/ 1.590e+01 2.333e-01 5.238e-02 -3.382e-02 / CHEB/ -2.944e-01 8.006e-02 4.389e-02 1.068e-02 / CHEB/ -1.101e-01 1.489e-03 1.163e-02 1.150e-02 / CHEB/ -8.199e-02 7.209e-04 3.213e-03 4.383e-03 / CHEB/ -4.745e-02 6.272e-03 1.685e-03 -3.746e-04 /

469.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	+2.0	+4.4	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-5.4	+2.7	+5.2	+6.3

Chebyshev(coeffs=[[-5.47713,1.47526,-0.0680919,0.0218523],[11.0684,0.253803,-0.0782171,-0.0455347],[-0.159608,0.131106,0.0385195,-0.018786],[-0.0379621,0.0260184,0.0358489,0.0067207],[-0.0431452,0.00263509,0.015254,0.0131585],[-0.0264101,0.00284037,0.00121513,0.00466547]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.14
S298 (cal/mol*K) = 1.59
G298 (kcal/mol) = 33.67

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(37); C7H10(18)(+M)=>C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.477e+00 1.475e+00 -6.809e-02 2.185e-02 / CHEB/ 1.107e+01 2.538e-01 -7.822e-02 -4.553e-02 / CHEB/ -1.596e-01 1.311e-01 3.852e-02 -1.879e-02 / CHEB/ -3.796e-02 2.602e-02 3.585e-02 6.721e-03 / CHEB/ -4.315e-02 2.635e-03 1.525e-02 1.316e-02 / CHEB/ -2.641e-02 2.840e-03 1.215e-03 4.665e-03 /

471.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.9	+4.6	+6.2	+6.8
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+5.3	+7.0	+7.6

Chebyshev(coeffs=[[-0.590531,1.48036,0.00331642,-0.0360565],[7.62898,0.107637,-0.124608,0.0461724],[-0.243382,0.146345,-0.0267671,-0.01981],[-0.0417119,0.0541389,0.0193339,-0.0253823],[-0.0447185,0.0102311,0.0280664,-0.00114941],[-0.0314495,-0.00209499,0.0100674,0.00818719]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.22
S298 (cal/mol*K) = 0.58
G298 (kcal/mol) = 19.05

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(39); C7H10(18)(+M)=>C7H10(39)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.905e-01 1.480e+00 3.316e-03 -3.606e-02 / CHEB/ 7.629e+00 1.076e-01 -1.246e-01 4.617e-02 / CHEB/ -2.434e-01 1.463e-01 -2.677e-02 -1.981e-02 / CHEB/ -4.171e-02 5.414e-02 1.933e-02 -2.538e-02 / CHEB/ -4.472e-02 1.023e-02 2.807e-02 -1.149e-03 / CHEB/ -3.145e-02 -2.095e-03 1.007e-02 8.187e-03 /

472.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.2	-4.2	-1.9	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-13.5	-4.3	-1.6	-0.4

Chebyshev(coeffs=[[-13.3293,0.231318,-0.392861,0.0590794],[12.8046,0.654968,-0.0464749,-0.101785],[-0.488605,0.217544,0.0831151,-0.0192423],[-0.176992,0.106726,0.0406748,0.00557145],[-0.078322,0.0833999,0.014208,0.00237127],[-0.0481654,0.046078,0.0071409,-0.0023278]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.88
S298 (cal/mol*K) = -1.27
G298 (kcal/mol) = 42.26

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(44); C7H10(18)(+M)=>H(25)+C7H9(44)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.333e+01 2.313e-01 -3.929e-01 5.908e-02 / CHEB/ 1.280e+01 6.550e-01 -4.647e-02 -1.018e-01 / CHEB/ -4.886e-01 2.175e-01 8.312e-02 -1.924e-02 / CHEB/ -1.770e-01 1.067e-01 4.067e-02 5.571e-03 / CHEB/ -7.832e-02 8.340e-02 1.421e-02 2.371e-03 / CHEB/ -4.817e-02 4.608e-02 7.141e-03 -2.328e-03 /

473.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.6	-6.6	-3.4	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-6.4	-2.9	-1.5

Chebyshev(coeffs=[[-18.6185,0.584166,-0.475751,-0.0165832],[17.1685,0.601503,0.0991222,-0.0624461],[-0.612179,0.164749,0.0901861,0.0118916],[-0.234736,0.0901652,0.0314273,0.00600752],[-0.106338,0.0800519,0.0166606,-0.00284656],[-0.0606224,0.0418312,0.012043,-0.00158466]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 56.93
S298 (cal/mol*K) = 6.86
G298 (kcal/mol) = 54.89

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(45); C7H10(18)(+M)=>H(25)+C7H9(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.862e+01 5.842e-01 -4.758e-01 -1.658e-02 / CHEB/ 1.717e+01 6.015e-01 9.912e-02 -6.245e-02 / CHEB/ -6.122e-01 1.647e-01 9.019e-02 1.189e-02 / CHEB/ -2.347e-01 9.017e-02 3.143e-02 6.008e-03 / CHEB/ -1.063e-01 8.005e-02 1.666e-02 -2.847e-03 / CHEB/ -6.062e-02 4.183e-02 1.204e-02 -1.585e-03 /

474.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-6.4	-3.4	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-18.0	-6.2	-2.9	-1.6

Chebyshev(coeffs=[[-17.9766,0.540353,-0.472917,-0.00689683],[16.4742,0.611314,0.0873513,-0.0697622],[-0.627247,0.170169,0.0906623,0.00967267],[-0.238163,0.0917595,0.0320126,0.00638701],[-0.107211,0.0808885,0.0159785,-0.00272206],[-0.0605681,0.04282,0.0116075,-0.00196279]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.88
S298 (cal/mol*K) = 5.94
G298 (kcal/mol) = 53.11

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(46); C7H10(18)(+M)=>H(25)+C7H9(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.798e+01 5.404e-01 -4.729e-01 -6.897e-03 / CHEB/ 1.647e+01 6.113e-01 8.735e-02 -6.976e-02 / CHEB/ -6.272e-01 1.702e-01 9.066e-02 9.673e-03 / CHEB/ -2.382e-01 9.176e-02 3.201e-02 6.387e-03 / CHEB/ -1.072e-01 8.089e-02 1.598e-02 -2.722e-03 / CHEB/ -6.057e-02 4.282e-02 1.161e-02 -1.963e-03 /

475.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.7	-10.7	-6.6	-5.0
log₁₀(k(10 bar)/[mole,m,s])	-25.5	-10.3	-5.9	-4.1

Chebyshev(coeffs=[[-25.4903,0.89088,-0.457147,-0.0693274],[21.438,0.533827,0.153412,-0.0202008],[-0.639122,0.128785,0.0827149,0.0228096],[-0.25792,0.0719113,0.0287164,0.00640855],[-0.119609,0.0698461,0.0209413,-0.00134833],[-0.0656291,0.0338314,0.0131299,0.000654999]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.98
S298 (cal/mol*K) = 4.23
G298 (kcal/mol) = 69.72

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(47); C7H10(18)(+M)=>H(25)+C7H9(47)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.549e+01 8.909e-01 -4.571e-01 -6.933e-02 / CHEB/ 2.144e+01 5.338e-01 1.534e-01 -2.020e-02 / CHEB/ -6.391e-01 1.288e-01 8.271e-02 2.281e-02 / CHEB/ -2.579e-01 7.191e-02 2.872e-02 6.409e-03 / CHEB/ -1.196e-01 6.985e-02 2.094e-02 -1.348e-03 / CHEB/ -6.563e-02 3.383e-02 1.313e-02 6.550e-04 /

476.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-2.2	-0.6	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-9.1	-2.3	-0.4	+0.4

Chebyshev(coeffs=[[-8.87209,0.0227247,-0.25178,0.0543345],[9.22319,0.618394,-0.193074,-0.0436071],[-0.515452,0.268216,0.0400259,-0.0499791],[-0.166537,0.128641,0.0476312,-0.0124125],[-0.0631925,0.0848631,0.0215478,0.0051246],[-0.039181,0.0439706,0.00591143,0.0026566]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.36
S298 (cal/mol*K) = -13.18
G298 (kcal/mol) = 28.28

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(48); C7H10(18)(+M)=>C7H10(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.872e+00 2.272e-02 -2.518e-01 5.433e-02 / CHEB/ 9.223e+00 6.184e-01 -1.931e-01 -4.361e-02 / CHEB/ -5.155e-01 2.682e-01 4.003e-02 -4.998e-02 / CHEB/ -1.665e-01 1.286e-01 4.763e-02 -1.241e-02 / CHEB/ -6.319e-02 8.486e-02 2.155e-02 5.125e-03 / CHEB/ -3.918e-02 4.397e-02 5.911e-03 2.657e-03 /

477.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.2	-3.5	-1.2	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-3.6	-1.0	+0.1

Chebyshev(coeffs=[[-12.3279,0.201598,-0.378477,0.0632719],[12.3691,0.654334,-0.0642561,-0.100283],[-0.496484,0.223241,0.0801627,-0.0233657],[-0.174666,0.109408,0.0416113,0.00437874],[-0.0754349,0.083554,0.0146483,0.00311065],[-0.0470676,0.0458453,0.00680739,-0.00189933]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.36
S298 (cal/mol*K) = -13.18
G298 (kcal/mol) = 28.28

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(49); C7H10(18)(+M)=>C7H10(49)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.233e+01 2.016e-01 -3.785e-01 6.327e-02 / CHEB/ 1.237e+01 6.543e-01 -6.426e-02 -1.003e-01 / CHEB/ -4.965e-01 2.232e-01 8.016e-02 -2.337e-02 / CHEB/ -1.747e-01 1.094e-01 4.161e-02 4.379e-03 / CHEB/ -7.543e-02 8.355e-02 1.465e-02 3.111e-03 / CHEB/ -4.707e-02 4.585e-02 6.807e-03 -1.899e-03 /

478.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-2.8	-0.8	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-2.9	-0.6	+0.5

Chebyshev(coeffs=[[-10.5724,0.110966,-0.316558,0.0671144],[10.9072,0.66155,-0.133077,-0.0844686],[-0.517217,0.248886,0.0676155,-0.0379041],[-0.13369,0.116001,0.048068,-0.000821782],[0.000511678,0.0813884,0.0180862,0.00587659],[-0.0360312,0.0445468,0.00567003,0.000213522]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.66
S298 (cal/mol*K) = -13.91
G298 (kcal/mol) = 23.80

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(50); C7H10(18)(+M)=>C7H10(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.057e+01 1.110e-01 -3.166e-01 6.711e-02 / CHEB/ 1.091e+01 6.615e-01 -1.331e-01 -8.447e-02 / CHEB/ -5.172e-01 2.489e-01 6.762e-02 -3.790e-02 / CHEB/ -1.337e-01 1.160e-01 4.807e-02 -8.218e-04 / CHEB/ 5.117e-04 8.139e-02 1.809e-02 5.877e-03 / CHEB/ -3.603e-02 4.455e-02 5.670e-03 2.135e-04 /

479.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-2.0	-0.8	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-2.3	-0.8	-0.1

Chebyshev(coeffs=[[-7.07262,-0.0550679,-0.198742,-0.00485726],[6.88109,0.494458,-0.193889,0.0485014],[-0.441128,0.309495,-0.0236673,-0.0440802],[-0.14554,0.152875,0.0241305,-0.0378779],[-0.0476052,0.089202,0.029824,-0.00389818],[-0.0272431,0.0423718,0.0140255,0.00569081]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.66
S298 (cal/mol*K) = -13.91
G298 (kcal/mol) = 23.80

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(51); C7H10(18)(+M)=>C7H10(51)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.073e+00 -5.507e-02 -1.987e-01 -4.857e-03 / CHEB/ 6.881e+00 4.945e-01 -1.939e-01 4.850e-02 / CHEB/ -4.411e-01 3.095e-01 -2.367e-02 -4.408e-02 / CHEB/ -1.455e-01 1.529e-01 2.413e-02 -3.788e-02 / CHEB/ -4.761e-02 8.920e-02 2.982e-02 -3.898e-03 / CHEB/ -2.724e-02 4.237e-02 1.403e-02 5.691e-03 /

480.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-1.7	-0.3	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-7.9	-2.0	-0.2	+0.3

Chebyshev(coeffs=[[-7.43229,-0.0826065,-0.162599,-0.0115045],[7.73762,0.50732,-0.166705,0.0183176],[-0.260714,0.33726,0.00266855,-0.0439864],[-0.16382,0.190339,0.0334985,-0.0153842],[-0.139725,0.09837,0.0289244,0.013682],[-0.0962352,0.026276,0.0118811,0.0102544]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.26
S298 (cal/mol*K) = -13.91
G298 (kcal/mol) = 25.40

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(52); C7H10(18)(+M)=>C7H10(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.432e+00 -8.261e-02 -1.626e-01 -1.150e-02 / CHEB/ 7.738e+00 5.073e-01 -1.667e-01 1.832e-02 / CHEB/ -2.607e-01 3.373e-01 2.669e-03 -4.399e-02 / CHEB/ -1.638e-01 1.903e-01 3.350e-02 -1.538e-02 / CHEB/ -1.397e-01 9.837e-02 2.892e-02 1.368e-02 / CHEB/ -9.624e-02 2.628e-02 1.188e-02 1.025e-02 /

481.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.3	+1.4	+2.8	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-4.5	+1.1	+2.8	+3.6

Chebyshev(coeffs=[[-4.33437,-0.0345207,-0.200368,0.0158997],[7.8235,0.541382,-0.216642,0.0205186],[-0.427733,0.297692,-0.00100799,-0.051662],[-0.14038,0.144862,0.0378437,-0.0293983],[-0.0492717,0.0867895,0.0277386,0.000689672],[-0.0302204,0.0425218,0.00986915,0.00526515]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.92
S298 (cal/mol*K) = -4.30
G298 (kcal/mol) = 24.20

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(53); C7H10(18)(+M)=>C7H10(53)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.334e+00 -3.452e-02 -2.004e-01 1.590e-02 / CHEB/ 7.824e+00 5.414e-01 -2.166e-01 2.052e-02 / CHEB/ -4.277e-01 2.977e-01 -1.008e-03 -5.166e-02 / CHEB/ -1.404e-01 1.449e-01 3.784e-02 -2.940e-02 / CHEB/ -4.927e-02 8.679e-02 2.774e-02 6.897e-04 / CHEB/ -3.022e-02 4.252e-02 9.869e-03 5.265e-03 /

482.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.7	-1.4	+1.2	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-10.0	-1.0	+2.0	+3.3

Chebyshev(coeffs=[[-9.42852,0.434438,-0.205925,0.0876602],[11.9734,1.10621,0.0617908,-0.0680486],[-0.125697,0.372768,0.110695,-0.0401152],[-0.0605126,0.0401192,0.00304117,-0.00998683],[-0.0510132,-0.0263597,-0.0254879,0.00576921],[-0.0355325,-0.0179151,-0.00616762,0.00799735]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.25
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = 35.31

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(54); C7H10(18)(+M)=>C7H10(54)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.429e+00 4.344e-01 -2.059e-01 8.766e-02 / CHEB/ 1.197e+01 1.106e+00 6.179e-02 -6.805e-02 / CHEB/ -1.257e-01 3.728e-01 1.107e-01 -4.012e-02 / CHEB/ -6.051e-02 4.012e-02 3.041e-03 -9.987e-03 / CHEB/ -5.101e-02 -2.636e-02 -2.549e-02 5.769e-03 / CHEB/ -3.553e-02 -1.792e-02 -6.168e-03 7.997e-03 /

483.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	+0.1	+1.8	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-0.1	+2.0	+2.8

Chebyshev(coeffs=[[-6.43325,0.00892016,-0.229122,0.0403874],[9.08151,0.612406,-0.209993,-0.0220732],[-0.372025,0.285223,0.0312325,-0.0539627],[-0.142611,0.134291,0.049421,-0.0170753],[-0.0624995,0.0851157,0.0242496,0.00520557],[-0.0401901,0.0432891,0.00650167,0.00397456]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.34
S298 (cal/mol*K) = -8.41
G298 (kcal/mol) = 28.85

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(55); C7H10(18)(+M)=>C7H10(55)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.433e+00 8.920e-03 -2.291e-01 4.039e-02 / CHEB/ 9.082e+00 6.124e-01 -2.100e-01 -2.207e-02 / CHEB/ -3.720e-01 2.852e-01 3.123e-02 -5.396e-02 / CHEB/ -1.426e-01 1.343e-01 4.942e-02 -1.708e-02 / CHEB/ -6.250e-02 8.512e-02 2.425e-02 5.206e-03 / CHEB/ -4.019e-02 4.329e-02 6.502e-03 3.975e-03 /

484.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.7	-2.0	+0.9	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-1.9	+1.3	+2.6

Chebyshev(coeffs=[[-12.6922,0.431383,-0.455277,0.0190817],[15.217,0.645038,0.0502854,-0.0888284],[-0.499912,0.187861,0.092734,0.00246965],[-0.178764,0.095464,0.0349277,0.00787189],[-0.0907534,0.0812579,0.0145812,-0.00147003],[-0.0434722,0.0437885,0.0103207,-0.00253867]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.56
S298 (cal/mol*K) = -2.67
G298 (kcal/mol) = 30.36

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(56); C7H10(18)(+M)=>C7H10(56)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.269e+01 4.314e-01 -4.553e-01 1.908e-02 / CHEB/ 1.522e+01 6.450e-01 5.029e-02 -8.883e-02 / CHEB/ -4.999e-01 1.879e-01 9.273e-02 2.470e-03 / CHEB/ -1.788e-01 9.546e-02 3.493e-02 7.872e-03 / CHEB/ -9.075e-02 8.126e-02 1.458e-02 -1.470e-03 / CHEB/ -4.347e-02 4.379e-02 1.032e-02 -2.539e-03 /

533.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-5.3	+0.5	+2.5	+3.5

Arrhenius(A=(2.4088e+12,'cm^3/(mol*s)'), n=0, Ea=(112.244,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""From training reaction 45 used for O2b;Cdpri_Csrad Exact match found for rate rule [O2b;Cdpri_Csrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 4.0 family: Disproportionation""")

H298 (kcal/mol) = 26.83
S298 (cal/mol*K) = 5.84
G298 (kcal/mol) = 25.09

! Template reaction: Disproportionation ! Flux pairs: C7H9(5), C7H8(206); O2(2), HO2(43); ! From training reaction 45 used for O2b;Cdpri_Csrad ! Exact match found for rate rule [O2b;Cdpri_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation O2(2)+C7H9(5)=C7H8(206)+HO2(43) 2.408800e+12 0.000 26.827

534.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.4	+5.1	+4.9	+4.9

Arrhenius(A=(49497.5,'m^3/(mol*s)'), n=0, Ea=(-6.8513,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template [Orad_O_H;Y_rad_birad_trirad_quadrad] for rate rule [Orad_O_H;Y_1centerbirad] Euclidian distance = 1.0 family: H_Abstraction""")

H298 (kcal/mol) = -55.77
S298 (cal/mol*K) = 13.19
G298 (kcal/mol) = -59.70

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H8(215), C7H9(5); ! Estimated using template [Orad_O_H;Y_rad_birad_trirad_quadrad] for rate rule [Orad_O_H;Y_1centerbirad] ! Euclidian distance = 1.0 ! family: H_Abstraction C7H8(215)+HO2(43)=O2(2)+C7H9(5) 4.949747e+10 0.000 -1.637

535.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.2	+4.6	+5.4	+5.9

H298 (kcal/mol) = -57.33
S298 (cal/mol*K) = -8.90
G298 (kcal/mol) = -54.67

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H8(211), C7H9(5); ! Estimated using template [X_H;Cd_rad/NonDeC] for rate rule [Orad_O_H;Cd_rad/NonDeC] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H8(211)+HO2(43)=O2(2)+C7H9(5) 6.080974e-02 4.001 0.885

537.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.1	+4.3	+5.4	+5.9

Arrhenius(A=(3.666e+13,'cm^3/(mol*s)','*|/',3), n=0, Ea=(62.1324,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(900,'K'), comment="""Estimated using template [O2b;C/H2/Nd_Csrad] for rate rule [O2b;C/H2/Nd_Csrad/H/Cd] Euclidian distance = 1.0 Multiplied by reaction path degeneracy 8.0 family: Disproportionation""")

H298 (kcal/mol) = -3.61
S298 (cal/mol*K) = 7.55
G298 (kcal/mol) = -5.86

! Template reaction: Disproportionation ! Flux pairs: C7H9(5), C7H8(58); O2(2), HO2(43); ! Estimated using template [O2b;C/H2/Nd_Csrad] for rate rule [O2b;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 8.0 ! family: Disproportionation O2(2)+C7H9(5)=C7H8(58)+HO2(43) 3.666000e+13 0.000 14.850

539.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+1.1	+4.3	+5.4	+5.9

H298 (kcal/mol) = -8.45
S298 (cal/mol*K) = -12.15
G298 (kcal/mol) = -4.83

! Template reaction: Disproportionation ! Flux pairs: C7H11(22), C7H10(1); O2(2), HO2(43); ! Estimated using template [O2b;C/H2/Nd_Csrad] for rate rule [O2b;C/H2/Nd_Csrad/H/Cd] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 8.0 ! family: Disproportionation O2(2)+C7H11(22)=C7H10(1)+HO2(43) 3.666000e+13 0.000 14.850

540.

⇔

Disproportionation

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-2.8	+1.6	+3.1	+3.9

Arrhenius(A=(1.2044e+12,'cm^3/(mol*s)'), n=0, Ea=(85.2993,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K'), comment="""From training reaction 45 used for O2b;Cdpri_Csrad Exact match found for rate rule [O2b;Cdpri_Csrad] Euclidian distance = 0 Multiplied by reaction path degeneracy 2.0 family: Disproportionation""")

H298 (kcal/mol) = 20.39
S298 (cal/mol*K) = 8.49
G298 (kcal/mol) = 17.86

! Template reaction: Disproportionation ! Flux pairs: C7H11(22), C7H10(218); O2(2), HO2(43); ! From training reaction 45 used for O2b;Cdpri_Csrad ! Exact match found for rate rule [O2b;Cdpri_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation O2(2)+C7H11(22)=C7H10(218)+HO2(43) 1.204400e+12 0.000 20.387

541.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+5.4	+5.1	+4.9	+4.9

H298 (kcal/mol) = -57.33
S298 (cal/mol*K) = -8.90
G298 (kcal/mol) = -54.67

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H10(32), C7H11(22); ! Estimated using template [Orad_O_H;Y_rad_birad_trirad_quadrad] for rate rule [Orad_O_H;Y_1centerbirad] ! Euclidian distance = 1.0 ! family: H_Abstraction C7H10(32)+HO2(43)=O2(2)+C7H11(22) 4.949747e+10 0.000 -1.637 DUPLICATE

542.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	-0.1	+2.5	+3.6	+4.3

H298 (kcal/mol) = -46.78
S298 (cal/mol*K) = -11.99
G298 (kcal/mol) = -43.20

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H10(28), C7H11(22); ! Estimated using template [X_H;C_rad/H/NonDeC] for rate rule [Orad_O_H;C_rad/H/NonDeC] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H10(28)+HO2(43)=O2(2)+C7H11(22) 2.759059e-02 3.802 6.324

543.

⇔

H_Abstraction

T/[K]	500	1000	1500	2000
log₁₀(k/[mole,m,s])	+3.2	+4.6	+5.4	+5.9

H298 (kcal/mol) = -57.33
S298 (cal/mol*K) = -8.90
G298 (kcal/mol) = -54.67

! Template reaction: H_Abstraction ! Flux pairs: HO2(43), O2(2); C7H10(32), C7H11(22); ! Estimated using template [X_H;Cd_rad/NonDeC] for rate rule [Orad_O_H;Cd_rad/NonDeC] ! Euclidian distance = 2.0 ! family: H_Abstraction C7H10(32)+HO2(43)=O2(2)+C7H11(22) 6.080974e-02 4.001 0.885 DUPLICATE

545.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+7.7	+8.9	+9.2	+9.2
log₁₀(k(10 bar)/[mole,m,s])	+8.6	+9.6	+10.0	+10.1

Chebyshev(coeffs=[[7.72212,1.68268,-0.0780586,-0.0376681],[1.60221,-0.110745,0.0373046,0.0367675],[-0.0811608,0.0335198,-0.0511136,0.0146637],[-0.0442111,0.096325,-0.0482204,-0.0126518],[-0.0641521,0.0706826,0.0100075,-0.0200199],[-0.0268413,0.00745418,0.0281563,-0.00822201]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.11
S298 (cal/mol*K) = -10.44
G298 (kcal/mol) = 8.22

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(57); C7H10(18)(+M)=>C7H10(57)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.722e+00 1.683e+00 -7.806e-02 -3.767e-02 / CHEB/ 1.602e+00 -1.107e-01 3.730e-02 3.677e-02 / CHEB/ -8.116e-02 3.352e-02 -5.111e-02 1.466e-02 / CHEB/ -4.421e-02 9.632e-02 -4.822e-02 -1.265e-02 / CHEB/ -6.415e-02 7.068e-02 1.001e-02 -2.002e-02 / CHEB/ -2.684e-02 7.454e-03 2.816e-02 -8.222e-03 /

546.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.9	+2.6	+4.6	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-4.8	+3.2	+5.4	+6.2

Chebyshev(coeffs=[[-5.03076,0.710306,-0.445534,-0.0658024],[10.8433,0.912203,0.203591,-0.0235275],[-0.348457,0.11614,0.0598775,0.00826825],[-0.149415,-0.0524096,0.00159336,0.00696265],[-0.0864109,-0.0101925,0.00459435,0.00758383],[-0.0374622,0.0184357,0.00711481,0.00387515]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.59
S298 (cal/mol*K) = -0.16
G298 (kcal/mol) = 33.64

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(58); C7H10(18)(+M)=>C7H10(58)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.031e+00 7.103e-01 -4.455e-01 -6.580e-02 / CHEB/ 1.084e+01 9.122e-01 2.036e-01 -2.353e-02 / CHEB/ -3.485e-01 1.161e-01 5.988e-02 8.268e-03 / CHEB/ -1.494e-01 -5.241e-02 1.593e-03 6.963e-03 / CHEB/ -8.641e-02 -1.019e-02 4.594e-03 7.584e-03 / CHEB/ -3.746e-02 1.844e-02 7.115e-03 3.875e-03 /

547.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	-1.9	+1.0	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-1.1	+1.9	+3.2

Chebyshev(coeffs=[[-11.4342,1.56584,-0.156611,-0.00468625],[14.1348,0.261099,0.0402072,-0.0441206],[-0.256076,0.0880464,0.0524918,0.0124717],[-0.0922849,0.00322679,0.0157074,0.0146728],[-0.0689143,0.0011785,0.00417245,0.00587038],[-0.0369692,0.00732412,0.00186072,-0.000318709]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.72
S298 (cal/mol*K) = -4.20
G298 (kcal/mol) = 10.97

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(59); C7H10(18)(+M)=>C7H10(59)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.143e+01 1.566e+00 -1.566e-01 -4.686e-03 / CHEB/ 1.413e+01 2.611e-01 4.021e-02 -4.412e-02 / CHEB/ -2.561e-01 8.805e-02 5.249e-02 1.247e-02 / CHEB/ -9.228e-02 3.227e-03 1.571e-02 1.467e-02 / CHEB/ -6.891e-02 1.178e-03 4.172e-03 5.870e-03 / CHEB/ -3.697e-02 7.324e-03 1.861e-03 -3.187e-04 /

548.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	+4.1	+6.3	+7.3
log₁₀(k(10 bar)/[mole,m,s])	-2.7	+4.8	+7.2	+8.2

Chebyshev(coeffs=[[-2.74771,1.48979,-0.0594984,0.0146696],[10.1376,0.262253,-0.0916149,-0.0403531],[-0.0534105,0.131767,0.0508909,-0.0196941],[-0.033025,0.0169412,0.0387408,0.0120623],[-0.049686,-0.00222578,0.0120732,0.0150305],[-0.0303034,0.00293171,-0.00099046,0.00340286]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.30
S298 (cal/mol*K) = 17.00
G298 (kcal/mol) = 24.23

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(60); C7H10(18)(+M)=>H(25)+C7H9(60)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.748e+00 1.490e+00 -5.950e-02 1.467e-02 / CHEB/ 1.014e+01 2.623e-01 -9.161e-02 -4.035e-02 / CHEB/ -5.341e-02 1.318e-01 5.089e-02 -1.969e-02 / CHEB/ -3.302e-02 1.694e-02 3.874e-02 1.206e-02 / CHEB/ -4.969e-02 -2.226e-03 1.207e-02 1.503e-02 / CHEB/ -3.030e-02 2.932e-03 -9.905e-04 3.403e-03 /

549.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.7	-2.6	+2.2	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-1.7	+3.2	+5.5

Chebyshev(coeffs=[[-16.7638,1.73103,-0.150089,-0.0523541],[21.5124,0.181728,0.0901173,0.0203046],[-0.15054,0.0590882,0.0370071,0.016614],[-0.0637952,-0.0012154,0.00368106,0.00556819],[-0.0525676,0.00296579,0.00206209,0.00127534],[-0.0242594,0.00353283,0.0015248,0.000124616]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.28
S298 (cal/mol*K) = 24.20
G298 (kcal/mol) = 59.06

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(61); C7H10(18)(+M)=>H(25)+C7H9(61)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.676e+01 1.731e+00 -1.501e-01 -5.235e-02 / CHEB/ 2.151e+01 1.817e-01 9.012e-02 2.030e-02 / CHEB/ -1.505e-01 5.909e-02 3.701e-02 1.661e-02 / CHEB/ -6.380e-02 -1.215e-03 3.681e-03 5.568e-03 / CHEB/ -5.257e-02 2.966e-03 2.062e-03 1.275e-03 / CHEB/ -2.426e-02 3.533e-03 1.525e-03 1.246e-04 /

550.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.6	+6.0	+7.6	+8.2
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+6.7	+8.5	+9.2

Chebyshev(coeffs=[[1.13673,1.38801,0.0473259,-0.0285734],[7.14368,0.362832,-0.214621,0.0339015],[0.0429417,0.012884,0.0428499,-0.0299894],[-0.0991253,0.129145,0.0283727,-0.0223989],[-0.0191607,-0.0323542,0.0304813,0.0231705],[-0.0334633,0.00366887,0.00785559,0.00443095]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.50
S298 (cal/mol*K) = -7.23
G298 (kcal/mol) = -13.35

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(63); C7H10(18)(+M)=>C7H10(63)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.137e+00 1.388e+00 4.733e-02 -2.857e-02 / CHEB/ 7.144e+00 3.628e-01 -2.146e-01 3.390e-02 / CHEB/ 4.294e-02 1.288e-02 4.285e-02 -2.999e-02 / CHEB/ -9.913e-02 1.291e-01 2.837e-02 -2.240e-02 / CHEB/ -1.916e-02 -3.235e-02 3.048e-02 2.317e-02 / CHEB/ -3.346e-02 3.669e-03 7.856e-03 4.431e-03 /

551.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.2	+0.8	+4.3	+5.8
log₁₀(k(10 bar)/[mole,m,s])	-9.5	+1.7	+5.2	+6.8

Chebyshev(coeffs=[[-9.57201,1.60337,-0.163679,-0.0181822],[15.6318,0.256987,0.0646944,-0.0300617],[-0.128076,0.0793262,0.0512024,0.0182492],[-0.0584201,0.000459845,0.0114743,0.0130014],[-0.0581774,0.00161428,0.00287726,0.00383167],[-0.03295,0.0070905,0.00215865,-0.000399842]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.00
S298 (cal/mol*K) = 1.18
G298 (kcal/mol) = 28.65

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(64); C7H10(18)(+M)=>C7H10(64)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.572e+00 1.603e+00 -1.637e-01 -1.818e-02 / CHEB/ 1.563e+01 2.570e-01 6.469e-02 -3.006e-02 / CHEB/ -1.281e-01 7.933e-02 5.120e-02 1.825e-02 / CHEB/ -5.842e-02 4.598e-04 1.147e-02 1.300e-02 / CHEB/ -5.818e-02 1.614e-03 2.877e-03 3.832e-03 / CHEB/ -3.295e-02 7.091e-03 2.159e-03 -3.998e-04 /

552.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	+1.4	+4.4	+5.7
log₁₀(k(10 bar)/[mole,m,s])	-7.7	+2.2	+5.3	+6.6

Chebyshev(coeffs=[[-7.84649,1.55698,-0.148646,0.000523514],[13.7957,0.271255,0.0301009,-0.0491762],[-0.156237,0.0921175,0.0556936,0.0114652],[-0.06753,0.0032316,0.0174784,0.0158483],[-0.0649561,0.000387866,0.00408235,0.0065151],[-0.0343508,0.00692832,0.00142154,-0.000414171]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.90
S298 (cal/mol*K) = -1.61
G298 (kcal/mol) = 8.38

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(65); C7H10(18)(+M)=>C7H10(65)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.846e+00 1.557e+00 -1.486e-01 5.235e-04 / CHEB/ 1.380e+01 2.713e-01 3.010e-02 -4.918e-02 / CHEB/ -1.562e-01 9.212e-02 5.569e-02 1.147e-02 / CHEB/ -6.753e-02 3.232e-03 1.748e-02 1.585e-02 / CHEB/ -6.496e-02 3.879e-04 4.082e-03 6.515e-03 / CHEB/ -3.435e-02 6.928e-03 1.422e-03 -4.142e-04 /

553.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.7	-3.4	+1.1	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-2.5	+2.0	+4.1

Chebyshev(coeffs=[[-16.8924,1.71262,-0.156202,-0.0507442],[20.4101,0.190738,0.0899613,0.0157024],[-0.217133,0.061079,0.0383195,0.017097],[-0.078669,-0.000597111,0.00455843,0.0063154],[-0.0531248,0.00342608,0.00245914,0.0015893],[-0.0295114,0.00469587,0.00208495,0.00025321]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.80
S298 (cal/mol*K) = 0.08
G298 (kcal/mol) = 19.78

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(66); C7H10(18)(+M)=>C7H10(66)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.689e+01 1.713e+00 -1.562e-01 -5.074e-02 / CHEB/ 2.041e+01 1.907e-01 8.996e-02 1.570e-02 / CHEB/ -2.171e-01 6.108e-02 3.832e-02 1.710e-02 / CHEB/ -7.867e-02 -5.971e-04 4.558e-03 6.315e-03 / CHEB/ -5.312e-02 3.426e-03 2.459e-03 1.589e-03 / CHEB/ -2.951e-02 4.696e-03 2.085e-03 2.532e-04 /

554.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.2	-8.5	-1.5	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-29.3	-7.5	-0.5	+2.9

Chebyshev(coeffs=[[-28.6653,1.82841,-0.105971,-0.0470115],[30.9071,0.121896,0.0719266,0.0286505],[-0.216991,0.0465407,0.0290872,0.0132165],[-0.0619167,-0.00762441,-0.00241591,0.00111922],[-0.0304539,-0.00144924,-0.000967864,-0.00046658],[-0.00348062,-0.000924253,-0.000932655,-0.000750523]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = -0.49

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(67); C7H10(18)(+M)=>C7H10(67)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.867e+01 1.828e+00 -1.060e-01 -4.701e-02 / CHEB/ 3.091e+01 1.219e-01 7.193e-02 2.865e-02 / CHEB/ -2.170e-01 4.654e-02 2.909e-02 1.322e-02 / CHEB/ -6.192e-02 -7.624e-03 -2.416e-03 1.119e-03 / CHEB/ -3.045e-02 -1.449e-03 -9.679e-04 -4.666e-04 / CHEB/ -3.481e-03 -9.243e-04 -9.327e-04 -7.505e-04 /

555.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	+0.8	+3.8	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-8.5	+1.6	+4.7	+6.0

Chebyshev(coeffs=[[-8.56546,1.56041,-0.15077,-0.00101003],[13.944,0.269653,0.0336459,-0.0477649],[-0.16908,0.0910389,0.0551191,0.0120599],[-0.070534,0.00306395,0.0169138,0.0156088],[-0.0621875,0.000475629,0.00405009,0.00630846],[-0.0360271,0.00702627,0.00149093,-0.000437922]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.80
S298 (cal/mol*K) = 0.08
G298 (kcal/mol) = 19.78

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(68); C7H10(18)(+M)=>C7H10(68)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.565e+00 1.560e+00 -1.508e-01 -1.010e-03 / CHEB/ 1.394e+01 2.697e-01 3.365e-02 -4.776e-02 / CHEB/ -1.691e-01 9.104e-02 5.512e-02 1.206e-02 / CHEB/ -7.053e-02 3.064e-03 1.691e-02 1.561e-02 / CHEB/ -6.219e-02 4.756e-04 4.050e-03 6.308e-03 / CHEB/ -3.603e-02 7.026e-03 1.491e-03 -4.379e-04 /

556.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+4.5	+6.0	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+5.2	+6.8	+7.5

Chebyshev(coeffs=[[-0.351334,1.52567,-0.00021406,-0.0275927],[7.04531,0.117535,-0.130985,0.0361415],[-0.0761464,0.169931,-0.0105634,-0.0352802],[-0.0390385,0.0479432,0.0448199,-0.0149945],[-0.0468537,0.00189115,0.0315664,0.0128328],[-0.0259509,-0.00248778,0.00322239,0.0105406]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = -0.49

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(69); C7H10(18)(+M)=>C7H10(69)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.513e-01 1.526e+00 -2.141e-04 -2.759e-02 / CHEB/ 7.045e+00 1.175e-01 -1.310e-01 3.614e-02 / CHEB/ -7.615e-02 1.699e-01 -1.056e-02 -3.528e-02 / CHEB/ -3.904e-02 4.794e-02 4.482e-02 -1.499e-02 / CHEB/ -4.685e-02 1.891e-03 3.157e-02 1.283e-02 / CHEB/ -2.595e-02 -2.488e-03 3.222e-03 1.054e-02 /

557.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	+1.9	+4.5	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+2.7	+5.4	+6.5

Chebyshev(coeffs=[[-6.03077,1.51219,-0.109379,0.0165364],[11.8185,0.277862,-0.0297637,-0.0574841],[-0.121627,0.110793,0.0579231,-0.0025716],[-0.0548906,0.00878818,0.0274132,0.0164085],[-0.0588026,-0.00129656,0.00697561,0.0109392],[-0.0331464,0.00534624,7.08265e-05,0.000728015]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.00
S298 (cal/mol*K) = 1.18
G298 (kcal/mol) = 28.65

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(70); C7H10(18)(+M)=>C7H10(70)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.031e+00 1.512e+00 -1.094e-01 1.654e-02 / CHEB/ 1.182e+01 2.779e-01 -2.976e-02 -5.748e-02 / CHEB/ -1.216e-01 1.108e-01 5.792e-02 -2.572e-03 / CHEB/ -5.489e-02 8.788e-03 2.741e-02 1.641e-02 / CHEB/ -5.880e-02 -1.297e-03 6.976e-03 1.094e-02 / CHEB/ -3.315e-02 5.346e-03 7.083e-05 7.280e-04 /

558.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	+1.2	+3.0	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-4.1	+1.9	+3.8	+4.6

Chebyshev(coeffs=[[-4.33507,1.4933,-0.0125177,-0.00775152],[8.17446,0.190937,-0.135238,0.00584843],[-0.10032,0.154894,0.0183354,-0.0353373],[-0.045705,0.0332549,0.0462264,-0.00288018],[-0.0514094,-2.42042e-05,0.0230478,0.0154681],[-0.0287936,-2.85885e-05,0.000291721,0.00789361]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.24
S298 (cal/mol*K) = -6.32
G298 (kcal/mol) = 9.12

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(71); C7H10(18)(+M)=>C7H10(71)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.335e+00 1.493e+00 -1.252e-02 -7.752e-03 / CHEB/ 8.174e+00 1.909e-01 -1.352e-01 5.848e-03 / CHEB/ -1.003e-01 1.549e-01 1.834e-02 -3.534e-02 / CHEB/ -4.570e-02 3.325e-02 4.623e-02 -2.880e-03 / CHEB/ -5.141e-02 -2.420e-05 2.305e-02 1.547e-02 / CHEB/ -2.879e-02 -2.859e-05 2.917e-04 7.894e-03 /

559.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.1	-6.0	+0.6	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-26.2	-5.1	+1.6	+4.7

Chebyshev(coeffs=[[-25.7939,1.82723,-0.106684,-0.0473086],[30.1098,0.120968,0.0713052,0.0283291],[-0.431648,0.0469538,0.0292798,0.0132413],[-0.126145,-0.00706518,-0.00206431,0.00127952],[-0.053097,-0.00105302,-0.00070049,-0.000326436],[-0.0122595,-0.000749675,-0.000809079,-0.00068001]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 100.32
S298 (cal/mol*K) = 41.50
G298 (kcal/mol) = 87.96

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C2H4(72); C7H10(18), C5H6(62); C7H10(18)(+M)=>C2H4(72)+C5H6(62)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.579e+01 1.827e+00 -1.067e-01 -4.731e-02 / CHEB/ 3.011e+01 1.210e-01 7.131e-02 2.833e-02 / CHEB/ -4.316e-01 4.695e-02 2.928e-02 1.324e-02 / CHEB/ -1.261e-01 -7.065e-03 -2.064e-03 1.280e-03 / CHEB/ -5.310e-02 -1.053e-03 -7.005e-04 -3.264e-04 / CHEB/ -1.226e-02 -7.497e-04 -8.091e-04 -6.800e-04 /

560.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.5	-9.2	-1.0	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-33.6	-8.2	+0.0	+4.1

Chebyshev(coeffs=[[-32.6693,1.85996,-0.0884785,-0.0411507],[36.0562,0.104431,0.0637245,0.0274637],[-0.229364,0.0371747,0.0237363,0.0112696],[-0.0522153,-0.0108421,-0.00518188,-0.000822301],[-0.0417062,-0.00226421,-0.0016219,-0.000918895],[0.00452962,-0.000492931,-0.000630028,-0.000592593]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 118.75
S298 (cal/mol*K) = 45.40
G298 (kcal/mol) = 105.22

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C4H6(74); C7H10(18), C3H4(73); C7H10(18)(+M)=>C4H6(74)+C3H4(73)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.267e+01 1.860e+00 -8.848e-02 -4.115e-02 / CHEB/ 3.606e+01 1.044e-01 6.372e-02 2.746e-02 / CHEB/ -2.294e-01 3.717e-02 2.374e-02 1.127e-02 / CHEB/ -5.222e-02 -1.084e-02 -5.182e-03 -8.223e-04 / CHEB/ -4.171e-02 -2.264e-03 -1.622e-03 -9.189e-04 / CHEB/ 4.530e-03 -4.929e-04 -6.300e-04 -5.926e-04 /

561.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.8	-0.2	+2.4	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-8.4	+0.5	+3.2	+4.4

Chebyshev(coeffs=[[-8.61348,1.16254,-0.300495,-0.0296046],[12.4125,0.601729,0.146492,-0.0281075],[-0.233758,0.141956,0.0786599,0.0173395],[-0.0648992,-0.00887169,0.0164519,0.0149703],[-0.0403958,-0.0035092,0.00437115,0.00710388],[-0.0106056,0.0141913,0.00472298,0.00122892]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.83
S298 (cal/mol*K) = 2.05
G298 (kcal/mol) = 38.22

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(75); C7H10(18)(+M)=>C7H10(75)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.613e+00 1.163e+00 -3.005e-01 -2.960e-02 / CHEB/ 1.241e+01 6.017e-01 1.465e-01 -2.811e-02 / CHEB/ -2.338e-01 1.420e-01 7.866e-02 1.734e-02 / CHEB/ -6.490e-02 -8.872e-03 1.645e-02 1.497e-02 / CHEB/ -4.040e-02 -3.509e-03 4.371e-03 7.104e-03 / CHEB/ -1.061e-02 1.419e-02 4.723e-03 1.229e-03 /

562.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	+2.4	+4.5	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-4.2	+3.2	+5.4	+6.3

Chebyshev(coeffs=[[-4.4457,1.48126,-0.0673233,0.0185759],[10.1163,0.253755,-0.0855493,-0.0440475],[-0.213457,0.125238,0.045442,-0.0185485],[-0.0753206,0.0181634,0.035702,0.0100832],[-0.0614159,-0.000361618,0.0126467,0.0136856],[-0.0331391,0.0035334,-0.000172408,0.00344644]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.33
S298 (cal/mol*K) = -4.33
G298 (kcal/mol) = 16.62

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(76); C7H10(18)(+M)=>C7H10(76)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.446e+00 1.481e+00 -6.732e-02 1.858e-02 / CHEB/ 1.012e+01 2.538e-01 -8.555e-02 -4.405e-02 / CHEB/ -2.135e-01 1.252e-01 4.544e-02 -1.855e-02 / CHEB/ -7.532e-02 1.816e-02 3.570e-02 1.008e-02 / CHEB/ -6.142e-02 -3.616e-04 1.265e-02 1.369e-02 / CHEB/ -3.314e-02 3.533e-03 -1.724e-04 3.446e-03 /

563.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	+0.4	+2.9	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-7.2	+1.2	+3.7	+4.8

Chebyshev(coeffs=[[-7.41317,1.50551,-0.109344,0.0178003],[11.6006,0.26993,-0.0330026,-0.0570705],[-0.202413,0.110332,0.0543935,-0.00436654],[-0.0742236,0.0106573,0.0274389,0.0150293],[-0.0626265,-0.000186562,0.0079606,0.0108937],[-0.0344343,0.00556868,0.000251355,0.00102463]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.68
S298 (cal/mol*K) = -12.45
G298 (kcal/mol) = -2.97

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(77); C7H10(18)(+M)=>C7H10(77)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.413e+00 1.506e+00 -1.093e-01 1.780e-02 / CHEB/ 1.160e+01 2.699e-01 -3.300e-02 -5.707e-02 / CHEB/ -2.024e-01 1.103e-01 5.439e-02 -4.367e-03 / CHEB/ -7.422e-02 1.066e-02 2.744e-02 1.503e-02 / CHEB/ -6.263e-02 -1.866e-04 7.961e-03 1.089e-02 / CHEB/ -3.443e-02 5.569e-03 2.514e-04 1.025e-03 /

564.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+5.3	+6.5	+6.8
log₁₀(k(10 bar)/[mole,m,s])	+1.9	+6.0	+7.3	+7.7

Chebyshev(coeffs=[[1.42396,1.57474,-0.0063052,-0.0412105],[5.6152,0.016391,-0.0963142,0.0530485],[-0.16021,0.166225,-0.0467195,-0.0202866],[-0.0665629,0.0703593,0.0289847,-0.0282356],[-0.0536148,0.00966075,0.0396464,0.00308806],[-0.0251029,-0.00530869,0.0106735,0.0116307]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.78
S298 (cal/mol*K) = -16.77
G298 (kcal/mol) = -3.78

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(78); C7H10(18)(+M)=>C7H10(78)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.424e+00 1.575e+00 -6.305e-03 -4.121e-02 / CHEB/ 5.615e+00 1.639e-02 -9.631e-02 5.305e-02 / CHEB/ -1.602e-01 1.662e-01 -4.672e-02 -2.029e-02 / CHEB/ -6.656e-02 7.036e-02 2.898e-02 -2.824e-02 / CHEB/ -5.361e-02 9.661e-03 3.965e-02 3.088e-03 / CHEB/ -2.510e-02 -5.309e-03 1.067e-02 1.163e-02 /

565.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.6	+6.9	+7.2	+7.2
log₁₀(k(10 bar)/[mole,m,s])	+6.5	+7.6	+7.9	+8.1

Chebyshev(coeffs=[[5.63005,1.6806,-0.0751909,-0.0376205],[1.69103,-0.117158,0.0364809,0.0361097],[-0.0884464,0.0353944,-0.0513848,0.0145795],[-0.0476037,0.0975702,-0.0471783,-0.0131571],[-0.0651112,0.0698958,0.0110412,-0.0199511],[-0.0274353,0.00768324,0.0276024,-0.00742629]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.70
S298 (cal/mol*K) = -9.68
G298 (kcal/mol) = -47.82

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(79); C7H10(18)(+M)=>C7H10(79)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.630e+00 1.681e+00 -7.519e-02 -3.762e-02 / CHEB/ 1.691e+00 -1.172e-01 3.648e-02 3.611e-02 / CHEB/ -8.845e-02 3.539e-02 -5.138e-02 1.458e-02 / CHEB/ -4.760e-02 9.757e-02 -4.718e-02 -1.316e-02 / CHEB/ -6.511e-02 6.990e-02 1.104e-02 -1.995e-02 / CHEB/ -2.744e-02 7.683e-03 2.760e-02 -7.426e-03 /

566.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.3	+6.6	+6.9	+6.9
log₁₀(k(10 bar)/[mole,m,s])	+6.2	+7.3	+7.6	+7.8

Chebyshev(coeffs=[[5.32732,1.68309,-0.0762128,-0.0374034],[1.68808,-0.112893,0.0347735,0.0364467],[-0.0902589,0.0378997,-0.0522623,0.0146846],[-0.0480986,0.0980665,-0.0471408,-0.0132873],[-0.0646009,0.0688974,0.0117106,-0.0202143],[-0.0264689,0.00605531,0.0284786,-0.00769718]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.82
S298 (cal/mol*K) = -6.64
G298 (kcal/mol) = -32.85

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(80); C7H10(18)(+M)=>C7H10(80)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.327e+00 1.683e+00 -7.621e-02 -3.740e-02 / CHEB/ 1.688e+00 -1.129e-01 3.477e-02 3.645e-02 / CHEB/ -9.026e-02 3.790e-02 -5.226e-02 1.468e-02 / CHEB/ -4.810e-02 9.807e-02 -4.714e-02 -1.329e-02 / CHEB/ -6.460e-02 6.890e-02 1.171e-02 -2.021e-02 / CHEB/ -2.647e-02 6.055e-03 2.848e-02 -7.697e-03 /

567.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.5	-4.4	+1.2	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-21.7	-3.5	+2.2	+4.9

Chebyshev(coeffs=[[-21.4474,1.78984,-0.125928,-0.0522711],[25.8309,0.140625,0.0789316,0.0275537],[-0.344218,0.0535951,0.0329069,0.0143806],[-0.112885,-0.00329962,0.00101842,0.00329697],[-0.0594755,0.00139198,0.000954843,0.000571077],[-0.0203582,0.000875574,0.000176375,-0.000243933]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.22
S298 (cal/mol*K) = 32.68
G298 (kcal/mol) = 67.48

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), CH2(T)(82); C7H10(18), C6H8(81); C7H10(18)(+M)=>CH2(T)(82)+C6H8(81)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.145e+01 1.790e+00 -1.259e-01 -5.227e-02 / CHEB/ 2.583e+01 1.406e-01 7.893e-02 2.755e-02 / CHEB/ -3.442e-01 5.360e-02 3.291e-02 1.438e-02 / CHEB/ -1.129e-01 -3.300e-03 1.018e-03 3.297e-03 / CHEB/ -5.948e-02 1.392e-03 9.548e-04 5.711e-04 / CHEB/ -2.036e-02 8.756e-04 1.764e-04 -2.439e-04 /

568.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-46.0	-15.9	-6.1	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-45.1	-14.9	-5.1	-0.3

Chebyshev(coeffs=[[-43.888,1.89703,-0.0668072,-0.0327382],[42.9971,0.0807484,0.0511042,0.0238185],[-0.341171,0.0245441,0.0161279,0.00809352],[-0.0661186,-0.0118593,-0.00673954,-0.00240049],[-0.0265631,-0.0012913,-0.00105424,-0.000714471],[-0.00983975,0.000868404,0.000365322,-7.51375e-06]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 132.63
S298 (cal/mol*K) = 38.81
G298 (kcal/mol) = 121.06

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C6H8(83); C7H10(18), CH2(T)(82); C7H10(18)(+M)=>C6H8(83)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.389e+01 1.897e+00 -6.681e-02 -3.274e-02 / CHEB/ 4.300e+01 8.075e-02 5.110e-02 2.382e-02 / CHEB/ -3.412e-01 2.454e-02 1.613e-02 8.094e-03 / CHEB/ -6.612e-02 -1.186e-02 -6.740e-03 -2.400e-03 / CHEB/ -2.656e-02 -1.291e-03 -1.054e-03 -7.145e-04 / CHEB/ -9.840e-03 8.684e-04 3.653e-04 -7.514e-06 /

569.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.0	-2.6	+2.3	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-17.2	-1.7	+3.3	+5.6

Chebyshev(coeffs=[[-16.9806,1.73676,-0.148108,-0.0527852],[21.8587,0.177911,0.089565,0.0215383],[-0.155169,0.0585757,0.0365686,0.0163564],[-0.0630998,-0.00137735,0.0034313,0.00534375],[-0.0505869,0.00282359,0.00195961,0.00120471],[-0.0232595,0.00324964,0.0013914,9.76569e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.28
S298 (cal/mol*K) = 24.20
G298 (kcal/mol) = 59.06

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(84); C7H10(18)(+M)=>H(25)+C7H9(84)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.698e+01 1.737e+00 -1.481e-01 -5.279e-02 / CHEB/ 2.186e+01 1.779e-01 8.956e-02 2.154e-02 / CHEB/ -1.552e-01 5.858e-02 3.657e-02 1.636e-02 / CHEB/ -6.310e-02 -1.377e-03 3.431e-03 5.344e-03 / CHEB/ -5.059e-02 2.824e-03 1.960e-03 1.205e-03 / CHEB/ -2.326e-02 3.250e-03 1.391e-03 9.766e-05 /

570.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-3.3	+0.8	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-15.7	-2.8	+1.7	+4.0

Chebyshev(coeffs=[[-14.5754,0.321029,-0.209028,0.00212063],[17.3239,1.29286,0.07702,-0.01026],[0.116294,0.53538,0.110256,-0.00192352],[0.0385798,0.0457264,0.0439737,-0.0101488],[0.0680778,-0.108567,-0.011184,-0.00270077],[0.044702,-0.100173,-0.0264975,0.00617936]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.20
S298 (cal/mol*K) = 5.97
G298 (kcal/mol) = 34.42

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(85); C7H10(18)(+M)=>C7H10(85)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.458e+01 3.210e-01 -2.090e-01 2.121e-03 / CHEB/ 1.732e+01 1.293e+00 7.702e-02 -1.026e-02 / CHEB/ 1.163e-01 5.354e-01 1.103e-01 -1.924e-03 / CHEB/ 3.858e-02 4.573e-02 4.397e-02 -1.015e-02 / CHEB/ 6.808e-02 -1.086e-01 -1.118e-02 -2.701e-03 / CHEB/ 4.470e-02 -1.002e-01 -2.650e-02 6.179e-03 /

571.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-3.8	+0.7	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-15.7	-3.2	+1.7	+4.1

Chebyshev(coeffs=[[-14.0708,0.306378,-0.155582,0.0169285],[16.223,1.38867,0.0775621,-0.0261277],[0.659309,0.554983,0.0835661,-0.00331911],[0.234272,-0.0291684,-0.00349837,-0.0121115],[0.0394797,-0.195672,-0.0379094,-0.00429143],[-0.0307823,-0.114976,-0.0127512,0.00959493]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.20
S298 (cal/mol*K) = 5.97
G298 (kcal/mol) = 34.42

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(86); C7H10(18)(+M)=>C7H10(86)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.407e+01 3.064e-01 -1.556e-01 1.693e-02 / CHEB/ 1.622e+01 1.389e+00 7.756e-02 -2.613e-02 / CHEB/ 6.593e-01 5.550e-01 8.357e-02 -3.319e-03 / CHEB/ 2.343e-01 -2.917e-02 -3.498e-03 -1.211e-02 / CHEB/ 3.948e-02 -1.957e-01 -3.791e-02 -4.291e-03 / CHEB/ -3.078e-02 -1.150e-01 -1.275e-02 9.595e-03 /

572.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-0.7	+2.1	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-0.6	+2.6	+4.2

Chebyshev(coeffs=[[-10.3736,0.0614402,-0.194031,0.0202897],[14.0207,1.10887,-0.0256863,-0.0372282],[-0.184421,0.561544,0.0977715,0.00747257],[-0.226241,0.188554,0.0802724,0.00652891],[-0.0862703,0.0549762,0.0411483,0.000770607],[0.0209555,0.0268692,0.00726839,-0.00233797]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.20
S298 (cal/mol*K) = 5.97
G298 (kcal/mol) = 34.42

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(87); C7H10(18)(+M)=>C7H10(87)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.037e+01 6.144e-02 -1.940e-01 2.029e-02 / CHEB/ 1.402e+01 1.109e+00 -2.569e-02 -3.723e-02 / CHEB/ -1.844e-01 5.615e-01 9.777e-02 7.473e-03 / CHEB/ -2.262e-01 1.886e-01 8.027e-02 6.529e-03 / CHEB/ -8.627e-02 5.498e-02 4.115e-02 7.706e-04 / CHEB/ 2.096e-02 2.687e-02 7.268e-03 -2.338e-03 /

573.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.5	-0.6	+3.1	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-12.7	+0.1	+4.0	+5.6

Chebyshev(coeffs=[[-11.4945,0.504565,-0.318853,0.00341375],[16.0401,1.25818,0.067762,-0.0948918],[0.388319,0.258936,0.166114,0.014985],[-0.121027,-0.0854713,0.0404483,0.0377495],[-0.15536,-0.0771227,-0.0213871,0.0127371],[-0.0861949,-0.0157186,-0.0195258,-0.005382]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.40
S298 (cal/mol*K) = 5.55
G298 (kcal/mol) = 36.75

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(88); C7H10(18)(+M)=>C7H10(88)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.149e+01 5.046e-01 -3.189e-01 3.414e-03 / CHEB/ 1.604e+01 1.258e+00 6.776e-02 -9.489e-02 / CHEB/ 3.883e-01 2.589e-01 1.661e-01 1.498e-02 / CHEB/ -1.210e-01 -8.547e-02 4.045e-02 3.775e-02 / CHEB/ -1.554e-01 -7.712e-02 -2.139e-02 1.274e-02 / CHEB/ -8.619e-02 -1.572e-02 -1.953e-02 -5.382e-03 /

574.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+3.7	+5.5	+6.2
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+4.3	+6.3	+7.1

Chebyshev(coeffs=[[-0.857372,0.33706,-0.00986213,-0.0501873],[6.82711,1.28492,0.136388,0.0454032],[0.450408,0.250092,-0.257803,-0.048565],[-0.202044,0.0225745,-0.0192365,0.00978421],[-0.097212,0.0420255,0.0930661,0.0305876],[0.015682,-0.026972,-0.000942041,-0.00485769]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.57
S298 (cal/mol*K) = -3.84
G298 (kcal/mol) = 0.58

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(89); C7H10(18)(+M)=>C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.574e-01 3.371e-01 -9.862e-03 -5.019e-02 / CHEB/ 6.827e+00 1.285e+00 1.364e-01 4.540e-02 / CHEB/ 4.504e-01 2.501e-01 -2.578e-01 -4.857e-02 / CHEB/ -2.020e-01 2.257e-02 -1.924e-02 9.784e-03 / CHEB/ -9.721e-02 4.203e-02 9.307e-02 3.059e-02 / CHEB/ 1.568e-02 -2.697e-02 -9.420e-04 -4.858e-03 /

575.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.6	-0.2	+3.4	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-10.0	+0.7	+4.3	+6.1

Chebyshev(coeffs=[[-9.75892,1.57611,-0.144474,-0.00199914],[14.6529,0.291225,0.0398589,-0.0473332],[0.201881,0.0894276,0.0620896,0.0175723],[0.0328392,-0.00173357,0.0151802,0.0171206],[-0.0300434,-0.0016367,0.00155206,0.00499465],[-0.0230701,0.00593133,0.000638478,-0.00122884]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.70
S298 (cal/mol*K) = -1.87
G298 (kcal/mol) = 12.26

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(90); C7H10(18)(+M)=>C7H10(90)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.759e+00 1.576e+00 -1.445e-01 -1.999e-03 / CHEB/ 1.465e+01 2.912e-01 3.986e-02 -4.733e-02 / CHEB/ 2.019e-01 8.943e-02 6.209e-02 1.757e-02 / CHEB/ 3.284e-02 -1.734e-03 1.518e-02 1.712e-02 / CHEB/ -3.004e-02 -1.637e-03 1.552e-03 4.995e-03 / CHEB/ -2.307e-02 5.931e-03 6.385e-04 -1.229e-03 /

576.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.2	-1.8	+1.9	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-0.9	+2.9	+4.5

Chebyshev(coeffs=[[-13.5788,1.65702,-0.168017,-0.0394485],[17.6218,0.2194,0.0836172,-0.00351626],[-0.300681,0.068061,0.0430127,0.0182369],[-0.107287,0.000443698,0.00734068,0.00895291],[-0.0722242,0.00364611,0.0030764,0.00247724],[-0.0368097,0.00689828,0.00283582,0.000186827]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.36
S298 (cal/mol*K) = -0.18
G298 (kcal/mol) = 39.41

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(91); C7H10(18)(+M)=>C7H10(91)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.358e+01 1.657e+00 -1.680e-01 -3.945e-02 / CHEB/ 1.762e+01 2.194e-01 8.362e-02 -3.516e-03 / CHEB/ -3.007e-01 6.806e-02 4.301e-02 1.824e-02 / CHEB/ -1.073e-01 4.437e-04 7.341e-03 8.953e-03 / CHEB/ -7.222e-02 3.646e-03 3.076e-03 2.477e-03 / CHEB/ -3.681e-02 6.898e-03 2.836e-03 1.868e-04 /

578.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.6	+6.5	+6.8	+6.7
log₁₀(k(10 bar)/[mole,m,s])	+6.5	+7.2	+7.5	+7.6

Chebyshev(coeffs=[[5.64069,1.67973,-0.0841969,-0.0386403],[1.18873,-0.0993747,0.0446131,0.0376604],[-0.0647372,0.0247903,-0.0493213,0.0139407],[-0.0383364,0.0935245,-0.0497101,-0.0116617],[-0.0652884,0.0749632,0.00756595,-0.0194943],[-0.0282793,0.0100034,0.0278841,-0.00894183]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.82
S298 (cal/mol*K) = -6.64
G298 (kcal/mol) = -32.85

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(92); C7H10(18)(+M)=>C7H10(92)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.641e+00 1.680e+00 -8.420e-02 -3.864e-02 / CHEB/ 1.189e+00 -9.937e-02 4.461e-02 3.766e-02 / CHEB/ -6.474e-02 2.479e-02 -4.932e-02 1.394e-02 / CHEB/ -3.834e-02 9.352e-02 -4.971e-02 -1.166e-02 / CHEB/ -6.529e-02 7.496e-02 7.566e-03 -1.949e-02 / CHEB/ -2.828e-02 1.000e-02 2.788e-02 -8.942e-03 /

579.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+8.3	+8.6	+8.6	+8.5
log₁₀(k(10 bar)/[mole,m,s])	+9.2	+9.3	+9.4	+9.4

Chebyshev(coeffs=[[8.26951,1.6368,-0.103953,-0.040819],[0.275844,-0.0215262,0.0700677,0.0403578],[-0.0265035,-0.0253224,-0.0415309,0.0136771],[-0.0215918,0.0770484,-0.0552252,-0.00805584],[-0.0638576,0.0858197,-0.00423399,-0.0176798],[-0.0348933,0.0241535,0.0222081,-0.0104062]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -55.26
S298 (cal/mol*K) = -15.46
G298 (kcal/mol) = -50.66

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(93); C7H10(18)(+M)=>C7H10(93)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.270e+00 1.637e+00 -1.040e-01 -4.082e-02 / CHEB/ 2.758e-01 -2.153e-02 7.007e-02 4.036e-02 / CHEB/ -2.650e-02 -2.532e-02 -4.153e-02 1.368e-02 / CHEB/ -2.159e-02 7.705e-02 -5.523e-02 -8.056e-03 / CHEB/ -6.386e-02 8.582e-02 -4.234e-03 -1.768e-02 / CHEB/ -3.489e-02 2.415e-02 2.221e-02 -1.041e-02 /

580.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.0	-1.0	+3.1	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-0.1	+4.0	+5.9

Chebyshev(coeffs=[[-13.2664,1.67255,-0.164728,-0.0423992],[18.4852,0.217575,0.0880933,0.00183392],[-0.165995,0.0658796,0.0423869,0.0189067],[-0.0705568,-0.000336166,0.00632643,0.00824321],[-0.0598592,0.00330826,0.00263967,0.0020464],[-0.0315525,0.00600917,0.00247438,0.00013675]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.72
S298 (cal/mol*K) = 27.00
G298 (kcal/mol) = 42.68

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C6H8(94); C7H10(18), CH2(T)(82); C7H10(18)(+M)=>C6H8(94)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.327e+01 1.673e+00 -1.647e-01 -4.240e-02 / CHEB/ 1.849e+01 2.176e-01 8.809e-02 1.834e-03 / CHEB/ -1.660e-01 6.588e-02 4.239e-02 1.891e-02 / CHEB/ -7.056e-02 -3.362e-04 6.326e-03 8.243e-03 / CHEB/ -5.986e-02 3.308e-03 2.640e-03 2.046e-03 / CHEB/ -3.155e-02 6.009e-03 2.474e-03 1.368e-04 /

581.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-3.0	+1.7	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-17.4	-2.1	+2.7	+4.9

Chebyshev(coeffs=[[-16.0487,0.803086,-0.103036,-0.0123272],[19.6967,1.43915,0.079793,-0.0315756],[0.541141,-0.146578,-0.0579765,0.0127662],[-0.182864,-0.252403,0.0469848,0.0325955],[-0.135521,0.10738,0.0549714,-0.00592814],[-0.0384066,0.061455,-0.0410831,-0.0140312]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.94
S298 (cal/mol*K) = 2.01
G298 (kcal/mol) = 31.34

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(95); C7H10(18)(+M)=>C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.605e+01 8.031e-01 -1.030e-01 -1.233e-02 / CHEB/ 1.970e+01 1.439e+00 7.979e-02 -3.158e-02 / CHEB/ 5.411e-01 -1.466e-01 -5.798e-02 1.277e-02 / CHEB/ -1.829e-01 -2.524e-01 4.698e-02 3.260e-02 / CHEB/ -1.355e-01 1.074e-01 5.497e-02 -5.928e-03 / CHEB/ -3.841e-02 6.145e-02 -4.108e-02 -1.403e-02 /

582.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-2.4	+1.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-1.9	+2.4	+4.5

Chebyshev(coeffs=[[-10.4309,0.18164,-0.0587356,0.0302223],[12.8852,1.37651,-0.0288741,-0.0323349],[0.832204,0.655195,0.0769945,-0.0207177],[0.220346,0.0464464,-0.000865079,-0.00663968],[0.0226922,-0.180887,-0.0370309,-0.00225764],[-0.00560226,-0.145224,-0.00776222,0.00763555]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.74
S298 (cal/mol*K) = 0.91
G298 (kcal/mol) = 22.47

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(96); C7H10(18)(+M)=>C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.043e+01 1.816e-01 -5.874e-02 3.022e-02 / CHEB/ 1.289e+01 1.377e+00 -2.887e-02 -3.233e-02 / CHEB/ 8.322e-01 6.552e-01 7.699e-02 -2.072e-02 / CHEB/ 2.203e-01 4.645e-02 -8.651e-04 -6.640e-03 / CHEB/ 2.269e-02 -1.809e-01 -3.703e-02 -2.258e-03 / CHEB/ -5.602e-03 -1.452e-01 -7.762e-03 7.636e-03 /

583.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	+0.2	+3.4	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-9.7	+1.0	+4.3	+5.8

Chebyshev(coeffs=[[-9.11326,0.848608,0.00801604,-0.00588147],[13.8306,1.34713,-0.139818,-0.0642993],[0.337119,-0.269812,0.01331,0.0495206],[-0.173718,-0.064129,0.112516,0.0161247],[-0.0622571,0.0967915,-0.0200521,-0.026995],[-0.032097,-0.0145181,-0.0226517,0.0174375]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.74
S298 (cal/mol*K) = 0.91
G298 (kcal/mol) = 22.47

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(97); C7H10(18)(+M)=>C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.113e+00 8.486e-01 8.016e-03 -5.881e-03 / CHEB/ 1.383e+01 1.347e+00 -1.398e-01 -6.430e-02 / CHEB/ 3.371e-01 -2.698e-01 1.331e-02 4.952e-02 / CHEB/ -1.737e-01 -6.413e-02 1.125e-01 1.612e-02 / CHEB/ -6.226e-02 9.679e-02 -2.005e-02 -2.700e-02 / CHEB/ -3.210e-02 -1.452e-02 -2.265e-02 1.744e-02 /

585.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.5	-4.0	+1.7	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-21.3	-3.2	+2.6	+5.4

Chebyshev(coeffs=[[-20.6444,1.14238,-0.263895,0.00055874],[25.3509,0.601054,0.0977895,-0.0578131],[-0.248099,0.161231,0.0706427,0.000781236],[-0.0480226,-0.0171813,0.0193188,0.0153635],[0.0221174,-0.0398593,-0.00712765,0.00798143],[0.0209838,-0.0148398,-0.00870331,-0.000423162]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.50
S298 (cal/mol*K) = 27.55
G298 (kcal/mol) = 70.29

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), H(25); C7H9(5), C7H8(206); C7H9(5)(+M)=>H(25)+C7H8(206)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.064e+01 1.142e+00 -2.639e-01 5.587e-04 / CHEB/ 2.535e+01 6.011e-01 9.779e-02 -5.781e-02 / CHEB/ -2.481e-01 1.612e-01 7.064e-02 7.812e-04 / CHEB/ -4.802e-02 -1.718e-02 1.932e-02 1.536e-02 / CHEB/ 2.212e-02 -3.986e-02 -7.128e-03 7.981e-03 / CHEB/ 2.098e-02 -1.484e-02 -8.703e-03 -4.232e-04 /

586.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.3	-2.2	+2.4	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-17.2	-1.7	+3.2	+5.6

Chebyshev(coeffs=[[-16.5795,0.850404,-0.226104,0.0260547],[21.5634,0.714789,9.02828e-05,-0.0684664],[-0.297485,0.237676,0.0615009,-0.0217489],[-0.0822311,0.00945535,0.0402496,0.00855945],[0.00395657,-0.0398052,0.00754812,0.0120067],[0.0146978,-0.020707,-0.0065466,0.0041264]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.00
S298 (cal/mol*K) = 7.24
G298 (kcal/mol) = 30.84

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(207); C7H9(5)(+M)=>C7H9(207)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.658e+01 8.504e-01 -2.261e-01 2.605e-02 / CHEB/ 2.156e+01 7.148e-01 9.028e-05 -6.847e-02 / CHEB/ -2.975e-01 2.377e-01 6.150e-02 -2.175e-02 / CHEB/ -8.223e-02 9.455e-03 4.025e-02 8.559e-03 / CHEB/ 3.957e-03 -3.981e-02 7.548e-03 1.201e-02 / CHEB/ 1.470e-02 -2.071e-02 -6.547e-03 4.126e-03 /

587.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.2	-1.6	+2.9	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-1.1	+3.7	+6.0

Chebyshev(coeffs=[[-15.5469,0.798955,-0.214061,0.0271841],[20.9347,0.728513,-0.0195866,-0.0648119],[-0.304313,0.2525,0.0565258,-0.0254623],[-0.0878036,0.0162228,0.0430658,0.0059041],[0.000927926,-0.0388994,0.0107594,0.0119196],[0.0137309,-0.0216956,-0.00551696,0.00496633]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.00
S298 (cal/mol*K) = 7.24
G298 (kcal/mol) = 30.84

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(208); C7H9(5)(+M)=>C7H9(208)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.555e+01 7.990e-01 -2.141e-01 2.718e-02 / CHEB/ 2.093e+01 7.285e-01 -1.959e-02 -6.481e-02 / CHEB/ -3.043e-01 2.525e-01 5.653e-02 -2.546e-02 / CHEB/ -8.780e-02 1.622e-02 4.307e-02 5.904e-03 / CHEB/ 9.279e-04 -3.890e-02 1.076e-02 1.192e-02 / CHEB/ 1.373e-02 -2.170e-02 -5.517e-03 4.966e-03 /

588.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-1.1	+2.7	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-0.7	+3.3	+5.2

Chebyshev(coeffs=[[-12.5854,0.524043,-0.125493,0.011376],[17.1925,0.749558,-0.11525,-0.0219331],[-0.238564,0.349464,0.0051124,-0.0308071],[-0.10124,0.0777164,0.0453038,-0.0132461],[-0.0122026,-0.0243075,0.0298323,0.00344231],[0.0115427,-0.0283265,0.005401,0.00721339]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.60
S298 (cal/mol*K) = 0.24
G298 (kcal/mol) = 9.53

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(209); C7H9(5)(+M)=>C7H9(209)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.259e+01 5.240e-01 -1.255e-01 1.138e-02 / CHEB/ 1.719e+01 7.496e-01 -1.152e-01 -2.193e-02 / CHEB/ -2.386e-01 3.495e-01 5.112e-03 -3.081e-02 / CHEB/ -1.012e-01 7.772e-02 4.530e-02 -1.325e-02 / CHEB/ -1.220e-02 -2.431e-02 2.983e-02 3.442e-03 / CHEB/ 1.154e-02 -2.833e-02 5.401e-03 7.213e-03 /

589.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.6	-5.5	+0.3	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-23.3	-4.8	+1.2	+4.1

Chebyshev(coeffs=[[-22.6813,1.19514,-0.266689,-0.00682283],[26.0841,0.565688,0.10988,-0.0510632],[-0.29243,0.148069,0.0679674,0.00370201],[-0.0579945,-0.0191613,0.0152185,0.0148788],[0.0194428,-0.0384547,-0.00856421,0.00673745],[0.0196893,-0.0136262,-0.00832728,-0.000974768]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 85.60
S298 (cal/mol*K) = 23.61
G298 (kcal/mol) = 78.56

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), H(25); C7H9(5), C7H8(210); C7H9(5)(+M)=>H(25)+C7H8(210)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.268e+01 1.195e+00 -2.667e-01 -6.823e-03 / CHEB/ 2.608e+01 5.657e-01 1.099e-01 -5.106e-02 / CHEB/ -2.924e-01 1.481e-01 6.797e-02 3.702e-03 / CHEB/ -5.799e-02 -1.916e-02 1.522e-02 1.488e-02 / CHEB/ 1.944e-02 -3.845e-02 -8.564e-03 6.737e-03 / CHEB/ 1.969e-02 -1.363e-02 -8.327e-03 -9.748e-04 /

590.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.5	-9.7	-2.2	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-31.9	-8.8	-1.2	+2.6

Chebyshev(coeffs=[[-31.1519,1.57168,-0.209415,-0.0502819],[32.9928,0.343465,0.142994,0.0109062],[-0.272684,0.0621694,0.0399775,0.0166769],[-0.0241147,-0.0289079,-0.00757678,0.00484491],[0.0404016,-0.0260034,-0.0132475,-0.00289111],[0.0261964,-0.00507391,-0.00454727,-0.00297029]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 30.61
G298 (kcal/mol) = 99.88

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), H(25); C7H9(5), C7H8(211); C7H9(5)(+M)=>H(25)+C7H8(211)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.115e+01 1.572e+00 -2.094e-01 -5.028e-02 / CHEB/ 3.299e+01 3.435e-01 1.430e-01 1.091e-02 / CHEB/ -2.727e-01 6.217e-02 3.998e-02 1.668e-02 / CHEB/ -2.411e-02 -2.891e-02 -7.577e-03 4.845e-03 / CHEB/ 4.040e-02 -2.600e-02 -1.325e-02 -2.891e-03 / CHEB/ 2.620e-02 -5.074e-03 -4.547e-03 -2.970e-03 /

591.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.5	-13.8	-6.2	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-35.9	-12.9	-5.3	-1.4

Chebyshev(coeffs=[[-35.1064,1.562,-0.211331,-0.0486767],[32.8366,0.357886,0.146665,0.00951888],[-0.189702,0.0630752,0.0411417,0.0173074],[-0.00199828,-0.030242,-0.0077177,0.00524538],[0.0474176,-0.0264887,-0.0135214,-0.00292147],[0.0292355,-0.00496076,-0.00461574,-0.00308555]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 107.44
S298 (cal/mol*K) = 9.89
G298 (kcal/mol) = 104.49

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), H(25); C7H9(5), C7H8(212); C7H9(5)(+M)=>H(25)+C7H8(212)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.511e+01 1.562e+00 -2.113e-01 -4.868e-02 / CHEB/ 3.284e+01 3.579e-01 1.467e-01 9.519e-03 / CHEB/ -1.897e-01 6.308e-02 4.114e-02 1.731e-02 / CHEB/ -1.998e-03 -3.024e-02 -7.718e-03 5.245e-03 / CHEB/ 4.742e-02 -2.649e-02 -1.352e-02 -2.921e-03 / CHEB/ 2.924e-02 -4.961e-03 -4.616e-03 -3.086e-03 /

592.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.5	-0.2	+3.5	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-12.5	+0.2	+4.1	+5.9

Chebyshev(coeffs=[[-11.8923,0.537505,-0.138769,0.0163197],[17.39,0.724997,-0.109099,-0.026662],[-0.380419,0.331251,0.00741653,-0.0316551],[-0.139053,0.0725166,0.0430752,-0.0121953],[-0.0255086,-0.0225782,0.0274515,0.00382987],[0.00537995,-0.0255872,0.00469,0.00682373]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.80
S298 (cal/mol*K) = 7.94
G298 (kcal/mol) = 32.43

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(213); C7H9(5)(+M)=>C7H9(213)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.189e+01 5.375e-01 -1.388e-01 1.632e-02 / CHEB/ 1.739e+01 7.250e-01 -1.091e-01 -2.666e-02 / CHEB/ -3.804e-01 3.313e-01 7.417e-03 -3.166e-02 / CHEB/ -1.391e-01 7.252e-02 4.308e-02 -1.220e-02 / CHEB/ -2.551e-02 -2.258e-02 2.745e-02 3.830e-03 / CHEB/ 5.380e-03 -2.559e-02 4.690e-03 6.824e-03 /

593.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.6	-4.9	+1.0	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-23.2	-4.1	+1.9	+4.9

Chebyshev(coeffs=[[-22.724,1.29026,-0.263929,-0.0198553],[27.0934,0.509496,0.128175,-0.0368355],[-0.416907,0.126963,0.0633247,0.00866044],[-0.0815579,-0.0221155,0.00863201,0.0135793],[0.0155929,-0.0365098,-0.0108309,0.00445384],[0.0175064,-0.0119167,-0.00775744,-0.00187359]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.49
S298 (cal/mol*K) = 20.19
G298 (kcal/mol) = 48.47

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(214); C7H9(5)(+M)=>C7H9(214)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.272e+01 1.290e+00 -2.639e-01 -1.986e-02 / CHEB/ 2.709e+01 5.095e-01 1.282e-01 -3.684e-02 / CHEB/ -4.169e-01 1.270e-01 6.332e-02 8.660e-03 / CHEB/ -8.156e-02 -2.212e-02 8.632e-03 1.358e-02 / CHEB/ 1.559e-02 -3.651e-02 -1.083e-02 4.454e-03 / CHEB/ 1.751e-02 -1.192e-02 -7.757e-03 -1.874e-03 /

594.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.2	-14.5	-7.0	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-36.6	-13.6	-6.1	-2.2

Chebyshev(coeffs=[[-35.7981,1.55873,-0.212565,-0.0486989],[32.738,0.357867,0.146042,0.00890925],[-0.214243,0.0640717,0.0414194,0.0171375],[-0.00945614,-0.0299508,-0.00745182,0.0053867],[0.0446831,-0.0266327,-0.0134808,-0.00279658],[0.0281937,-0.0051082,-0.00467776,-0.00307431]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 107.44
S298 (cal/mol*K) = 8.51
G298 (kcal/mol) = 104.90

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), H(25); C7H9(5), C7H8(215); C7H9(5)(+M)=>H(25)+C7H8(215)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.580e+01 1.559e+00 -2.126e-01 -4.870e-02 / CHEB/ 3.274e+01 3.579e-01 1.460e-01 8.909e-03 / CHEB/ -2.142e-01 6.407e-02 4.142e-02 1.714e-02 / CHEB/ -9.456e-03 -2.995e-02 -7.452e-03 5.387e-03 / CHEB/ 4.468e-02 -2.663e-02 -1.348e-02 -2.797e-03 / CHEB/ 2.819e-02 -5.108e-03 -4.678e-03 -3.074e-03 /

595.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	+3.1	+6.2	+7.6
log₁₀(k(10 bar)/[mole,m,s])	-7.5	+3.3	+6.7	+8.3

Chebyshev(coeffs=[[-6.85938,0.395051,-0.0898856,0.00333429],[14.715,0.652226,-0.125633,-0.00679102],[-0.248418,0.376177,-0.0352946,-0.0193882],[-0.134434,0.134964,0.0215946,-0.0166097],[-0.0379306,0.00834211,0.0300272,-0.00517294],[0.00183938,-0.0235074,0.0143971,0.0030438]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.49
S298 (cal/mol*K) = -10.91
G298 (kcal/mol) = 23.74

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(24); C7H9(5)(+M)=>C7H9(24)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.859e+00 3.951e-01 -8.989e-02 3.334e-03 / CHEB/ 1.471e+01 6.522e-01 -1.256e-01 -6.791e-03 / CHEB/ -2.484e-01 3.762e-01 -3.529e-02 -1.939e-02 / CHEB/ -1.344e-01 1.350e-01 2.159e-02 -1.661e-02 / CHEB/ -3.793e-02 8.342e-03 3.003e-02 -5.173e-03 / CHEB/ 1.839e-03 -2.351e-02 1.440e-02 3.044e-03 /

596.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.7	-6.8	-1.4	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-23.5	-6.1	-0.5	+2.2

Chebyshev(coeffs=[[-22.8446,1.06712,-0.258356,0.00961966],[24.3242,0.639733,0.076247,-0.0651153],[-0.23984,0.18047,0.0717906,-0.00450873],[-0.0500257,-0.0123214,0.0252898,0.0150507],[0.0200303,-0.0409078,-0.00417922,0.009604],[0.0204307,-0.0165159,-0.00880065,0.00061168]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.04
S298 (cal/mol*K) = -12.62
G298 (kcal/mol) = 34.80

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(26); C7H9(5)(+M)=>C7H9(26)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.284e+01 1.067e+00 -2.584e-01 9.620e-03 / CHEB/ 2.432e+01 6.397e-01 7.625e-02 -6.512e-02 / CHEB/ -2.398e-01 1.805e-01 7.179e-02 -4.509e-03 / CHEB/ -5.003e-02 -1.232e-02 2.529e-02 1.505e-02 / CHEB/ 2.003e-02 -4.091e-02 -4.179e-03 9.604e-03 / CHEB/ 2.043e-02 -1.652e-02 -8.801e-03 6.117e-04 /

597.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.4	-2.9	+1.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-15.4	-2.5	+1.6	+3.6

Chebyshev(coeffs=[[-14.7101,0.553511,-0.136238,0.0143846],[17.6844,0.755035,-0.107914,-0.0271726],[-0.260034,0.337014,0.0133948,-0.0322035],[-0.101375,0.0672313,0.0471253,-0.0112562],[-0.0107007,-0.0276009,0.0278017,0.00521023],[0.0115538,-0.0274782,0.00350165,0.00742147]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.84
S298 (cal/mol*K) = -13.72
G298 (kcal/mol) = 25.93

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(27); C7H9(5)(+M)=>C7H9(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.471e+01 5.535e-01 -1.362e-01 1.438e-02 / CHEB/ 1.768e+01 7.550e-01 -1.079e-01 -2.717e-02 / CHEB/ -2.600e-01 3.370e-01 1.339e-02 -3.220e-02 / CHEB/ -1.014e-01 6.723e-02 4.713e-02 -1.126e-02 / CHEB/ -1.070e-02 -2.760e-02 2.780e-02 5.210e-03 / CHEB/ 1.155e-02 -2.748e-02 3.502e-03 7.421e-03 /

598.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.9	+2.2	+5.3	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-8.9	+2.4	+5.8	+7.3

Chebyshev(coeffs=[[-8.4471,0.456484,-0.112469,0.00934819],[15.593,0.690451,-0.124632,-0.0137576],[-0.488096,0.35356,-0.0156661,-0.0263962],[-0.185303,0.10078,0.0341521,-0.0161543],[-0.0467458,-0.00944715,0.0301865,-0.00117319],[-0.00186098,-0.0249496,0.00958484,0.00532323]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.56
S298 (cal/mol*K) = 6.29
G298 (kcal/mol) = 36.68

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(45); C7H9(5)(+M)=>C7H9(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.447e+00 4.565e-01 -1.125e-01 9.348e-03 / CHEB/ 1.559e+01 6.905e-01 -1.246e-01 -1.376e-02 / CHEB/ -4.881e-01 3.536e-01 -1.567e-02 -2.640e-02 / CHEB/ -1.853e-01 1.008e-01 3.415e-02 -1.615e-02 / CHEB/ -4.675e-02 -9.447e-03 3.019e-02 -1.173e-03 / CHEB/ -1.861e-03 -2.495e-02 9.585e-03 5.323e-03 /

599.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	+3.0	+5.5	+6.5
log₁₀(k(10 bar)/[mole,m,s])	-6.1	+3.1	+5.9	+7.1

Chebyshev(coeffs=[[-5.61631,0.310041,-0.0726864,0.00185847],[12.5479,0.539247,-0.115769,-0.00211405],[-0.385849,0.352794,-0.0535165,-0.0111351],[-0.189911,0.163687,-0.0015302,-0.0132479],[-0.0718019,0.0409106,0.0190761,-0.0077156],[-0.0155635,-0.00845227,0.0154255,-0.000662091]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.50
S298 (cal/mol*K) = -1.68
G298 (kcal/mol) = 16.00

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(216); C7H9(5)(+M)=>C7H9(216)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.616e+00 3.100e-01 -7.269e-02 1.858e-03 / CHEB/ 1.255e+01 5.392e-01 -1.158e-01 -2.114e-03 / CHEB/ -3.858e-01 3.528e-01 -5.352e-02 -1.114e-02 / CHEB/ -1.899e-01 1.637e-01 -1.530e-03 -1.325e-02 / CHEB/ -7.180e-02 4.091e-02 1.908e-02 -7.716e-03 / CHEB/ -1.556e-02 -8.452e-03 1.543e-02 -6.621e-04 /

600.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.9	+5.4	+7.9	+8.9
log₁₀(k(10 bar)/[mole,m,s])	-2.9	+5.5	+8.2	+9.5

Chebyshev(coeffs=[[-2.34819,0.278934,-0.063582,0.000649264],[11.4596,0.495956,-0.105915,-0.00209256],[-0.212355,0.34498,-0.0572252,-0.0083322],[-0.150102,0.179423,-0.0111438,-0.0108168],[-0.0684311,0.0592335,0.0126091,-0.00753707],[-0.0178704,0.000857708,0.0146605,-0.00184428]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.92
S298 (cal/mol*K) = 16.43
G298 (kcal/mol) = 6.02

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(60); C7H9(5)(+M)=>C7H9(60)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.348e+00 2.789e-01 -6.358e-02 6.493e-04 / CHEB/ 1.146e+01 4.960e-01 -1.059e-01 -2.093e-03 / CHEB/ -2.124e-01 3.450e-01 -5.723e-02 -8.332e-03 / CHEB/ -1.501e-01 1.794e-01 -1.114e-02 -1.082e-02 / CHEB/ -6.843e-02 5.923e-02 1.261e-02 -7.537e-03 / CHEB/ -1.787e-02 8.577e-04 1.466e-02 -1.844e-03 /

601.

→

PDepNetwork #6

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	+2.3	+5.9	+7.5
log₁₀(k(10 bar)/[mole,m,s])	-9.8	+2.6	+6.5	+8.2

Chebyshev(coeffs=[[-9.24519,0.517996,-0.132298,0.0146002],[17.1058,0.719273,-0.113879,-0.0232984],[-0.410737,0.337062,0.00218875,-0.0307539],[-0.143998,0.078574,0.0415841,-0.0133749],[-0.0267292,-0.0200851,0.0283804,0.00270156],[0.00430377,-0.0256342,0.00578984,0.00660517]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.33
S298 (cal/mol*K) = 10.58
G298 (kcal/mol) = 15.18

! PDep reaction: PDepNetwork #6 ! Flux pairs: C7H9(5), C7H9(217); C7H9(5)(+M)=>C7H9(217)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.245e+00 5.180e-01 -1.323e-01 1.460e-02 / CHEB/ 1.711e+01 7.193e-01 -1.139e-01 -2.330e-02 / CHEB/ -4.107e-01 3.371e-01 2.189e-03 -3.075e-02 / CHEB/ -1.440e-01 7.857e-02 4.158e-02 -1.337e-02 / CHEB/ -2.673e-02 -2.009e-02 2.838e-02 2.702e-03 / CHEB/ 4.304e-03 -2.563e-02 5.790e-03 6.605e-03 /

602.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.8	-1.7	+3.2	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-17.8	-1.2	+4.0	+6.5

Chebyshev(coeffs=[[-17.0069,0.743061,-0.179516,0.0242509],[22.9854,0.803732,-0.0405539,-0.0537956],[-0.370199,0.291284,0.0588123,-0.0284965],[-0.116146,0.0236808,0.050629,0.00401946],[-0.00361384,-0.0455352,0.0144881,0.0128578],[0.0185182,-0.0286344,-0.00622665,0.00619636]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.06
S298 (cal/mol*K) = 30.19
G298 (kcal/mol) = 63.07

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), H(25); C7H11(22), C7H10(218); C7H11(22)(+M)=>H(25)+C7H10(218)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.701e+01 7.431e-01 -1.795e-01 2.425e-02 / CHEB/ 2.299e+01 8.037e-01 -4.055e-02 -5.380e-02 / CHEB/ -3.702e-01 2.913e-01 5.881e-02 -2.850e-02 / CHEB/ -1.161e-01 2.368e-02 5.063e-02 4.019e-03 / CHEB/ -3.614e-03 -4.554e-02 1.449e-02 1.286e-02 / CHEB/ 1.852e-02 -2.863e-02 -6.227e-03 6.196e-03 /

604.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.2	-0.9	+3.7	+5.9
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-0.5	+4.4	+6.8

Chebyshev(coeffs=[[-14.5478,0.576587,-0.127813,-0.00446561],[20.2873,0.908405,-0.10192,-0.00738046],[0.400751,0.320406,0.0361226,-0.0365049],[-0.309979,0.0165474,0.0674819,-0.0118284],[-0.0737534,-0.0290321,0.0202461,0.0146243],[0.0770153,-0.023977,-0.00780532,0.0098045]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.40
S298 (cal/mol*K) = 7.00
G298 (kcal/mol) = 21.31

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H11(219); C7H11(22)(+M)=>C7H11(219)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.455e+01 5.766e-01 -1.278e-01 -4.466e-03 / CHEB/ 2.029e+01 9.084e-01 -1.019e-01 -7.380e-03 / CHEB/ 4.008e-01 3.204e-01 3.612e-02 -3.650e-02 / CHEB/ -3.100e-01 1.655e-02 6.748e-02 -1.183e-02 / CHEB/ -7.375e-02 -2.903e-02 2.025e-02 1.462e-02 / CHEB/ 7.702e-02 -2.398e-02 -7.805e-03 9.805e-03 /

605.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	+4.5	+7.2	+8.3
log₁₀(k(10 bar)/[mole,m,s])	-5.0	+4.6	+7.6	+8.9

Chebyshev(coeffs=[[-4.40493,0.265911,-0.0547007,-0.000357066],[13.1402,0.479549,-0.0929928,-0.0029223],[-0.333193,0.34839,-0.054043,-0.00718403],[-0.201346,0.196587,-0.0145471,-0.00909141],[-0.0969249,0.0767519,0.00875152,-0.00673453],[-0.032388,0.0101348,0.0136535,-0.00207102]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.85
S298 (cal/mol*K) = 8.71
G298 (kcal/mol) = 10.25

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H11(220); C7H11(22)(+M)=>C7H11(220)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.405e+00 2.659e-01 -5.470e-02 -3.571e-04 / CHEB/ 1.314e+01 4.795e-01 -9.299e-02 -2.922e-03 / CHEB/ -3.332e-01 3.484e-01 -5.404e-02 -7.184e-03 / CHEB/ -2.013e-01 1.966e-01 -1.455e-02 -9.091e-03 / CHEB/ -9.692e-02 7.675e-02 8.752e-03 -6.735e-03 / CHEB/ -3.239e-02 1.013e-02 1.365e-02 -2.071e-03 /

606.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.3	-7.0	-0.6	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-27.0	-6.2	+0.3	+3.6

Chebyshev(coeffs=[[-26.3709,1.26766,-0.256526,-0.0123235],[29.4388,0.56657,0.134177,-0.040601],[-0.435837,0.134603,0.0706425,0.0107326],[-0.0853901,-0.025578,0.0095355,0.0150595],[0.0221586,-0.0417614,-0.0127362,0.00463384],[0.0256434,-0.0143391,-0.00941952,-0.00242747]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.45
S298 (cal/mol*K) = 33.70
G298 (kcal/mol) = 88.41

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), H(25); C7H11(22), C7H10(28); C7H11(22)(+M)=>H(25)+C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.637e+01 1.268e+00 -2.565e-01 -1.232e-02 / CHEB/ 2.944e+01 5.666e-01 1.342e-01 -4.060e-02 / CHEB/ -4.358e-01 1.346e-01 7.064e-02 1.073e-02 / CHEB/ -8.539e-02 -2.558e-02 9.536e-03 1.506e-02 / CHEB/ 2.216e-02 -4.176e-02 -1.274e-02 4.634e-03 / CHEB/ 2.564e-02 -1.434e-02 -9.420e-03 -2.427e-03 /

607.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.4	-5.4	+0.3	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-23.2	-4.7	+1.2	+4.0

Chebyshev(coeffs=[[-22.5183,0.987838,-0.236938,0.0196238],[25.9806,0.71965,0.0548213,-0.0686254],[-0.362388,0.210046,0.078033,-0.00904668],[-0.0928329,-0.00887657,0.0328105,0.015354],[0.0108795,-0.0471369,-0.00203801,0.0114852],[0.0231,-0.0216326,-0.0103549,0.00144792]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 85.60
S298 (cal/mol*K) = 23.61
G298 (kcal/mol) = 78.56

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), H(25); C7H11(22), C7H10(33); C7H11(22)(+M)=>H(25)+C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.252e+01 9.878e-01 -2.369e-01 1.962e-02 / CHEB/ 2.598e+01 7.197e-01 5.482e-02 -6.863e-02 / CHEB/ -3.624e-01 2.100e-01 7.803e-02 -9.047e-03 / CHEB/ -9.283e-02 -8.877e-03 3.281e-02 1.535e-02 / CHEB/ 1.088e-02 -4.714e-02 -2.038e-03 1.149e-02 / CHEB/ 2.310e-02 -2.163e-02 -1.035e-02 1.448e-03 /

608.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.3	-9.6	-2.2	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-31.8	-8.7	-1.2	+2.6

Chebyshev(coeffs=[[-31.0214,1.4542,-0.234371,-0.0356455],[32.8823,0.453004,0.156468,-0.00888211],[-0.325838,0.0853139,0.053966,0.0183825],[-0.0457745,-0.0320292,-0.00359959,0.00953444],[0.0387607,-0.0338703,-0.0152129,-0.00102752],[0.031727,-0.00851561,-0.00689794,-0.00363897]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 30.61
G298 (kcal/mol) = 99.88

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), H(25); C7H11(22), C7H10(32); C7H11(22)(+M)=>H(25)+C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.102e+01 1.454e+00 -2.344e-01 -3.565e-02 / CHEB/ 3.288e+01 4.530e-01 1.565e-01 -8.882e-03 / CHEB/ -3.258e-01 8.531e-02 5.397e-02 1.838e-02 / CHEB/ -4.577e-02 -3.203e-02 -3.600e-03 9.534e-03 / CHEB/ 3.876e-02 -3.387e-02 -1.521e-02 -1.028e-03 / CHEB/ 3.173e-02 -8.516e-03 -6.898e-03 -3.639e-03 /

609.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.0	-10.3	-2.8	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-32.5	-9.4	-1.9	+1.9

Chebyshev(coeffs=[[-31.753,1.45376,-0.23458,-0.0356727],[32.9558,0.452451,0.156267,-0.00890251],[-0.312874,0.0859272,0.0541112,0.0183028],[-0.0398563,-0.0316984,-0.00344696,0.00955371],[0.0412068,-0.0339946,-0.0151978,-0.000967583],[0.0323721,-0.00864179,-0.00693838,-0.00362405]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 29.23
G298 (kcal/mol) = 100.29

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), H(25); C7H11(22), C7H10(34); C7H11(22)(+M)=>H(25)+C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.175e+01 1.454e+00 -2.346e-01 -3.567e-02 / CHEB/ 3.296e+01 4.525e-01 1.563e-01 -8.903e-03 / CHEB/ -3.129e-01 8.593e-02 5.411e-02 1.830e-02 / CHEB/ -3.986e-02 -3.170e-02 -3.447e-03 9.554e-03 / CHEB/ 4.121e-02 -3.399e-02 -1.520e-02 -9.676e-04 / CHEB/ 3.237e-02 -8.642e-03 -6.938e-03 -3.624e-03 /

610.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-0.3	+3.3	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-0.1	+3.8	+5.6

Chebyshev(coeffs=[[-12.1108,0.410379,-0.0847154,0.00247956],[17.4252,0.681313,-0.117369,-0.00759576],[-0.425801,0.397785,-0.0300884,-0.0190526],[-0.198245,0.145031,0.0247799,-0.0158537],[-0.0600536,0.00875883,0.0317584,-0.0044992],[-0.00301329,-0.0272275,0.0146945,0.00351508]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.76
S298 (cal/mol*K) = 8.39
G298 (kcal/mol) = 30.26

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H11(221); C7H11(22)(+M)=>C7H11(221)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.211e+01 4.104e-01 -8.472e-02 2.480e-03 / CHEB/ 1.743e+01 6.813e-01 -1.174e-01 -7.596e-03 / CHEB/ -4.258e-01 3.978e-01 -3.009e-02 -1.905e-02 / CHEB/ -1.982e-01 1.450e-01 2.478e-02 -1.585e-02 / CHEB/ -6.005e-02 8.759e-03 3.176e-02 -4.499e-03 / CHEB/ -3.013e-03 -2.723e-02 1.469e-02 3.515e-03 /

611.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	+4.7	+7.7	+8.8
log₁₀(k(10 bar)/[mole,m,s])	-5.6	+4.8	+8.1	+9.5

Chebyshev(coeffs=[[-5.05695,0.302268,-0.0617697,-6.70131e-05],[14.3933,0.536786,-0.101634,-0.00348386],[-0.385999,0.371826,-0.0519691,-0.00939636],[-0.208292,0.191167,-0.005986,-0.0112315],[-0.0891593,0.0604118,0.016204,-0.007257],[-0.0242555,-0.00241986,0.0160649,-0.00116328]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.28
S298 (cal/mol*K) = 11.83
G298 (kcal/mol) = 5.75

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H11(222); C7H11(22)(+M)=>C7H11(222)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.057e+00 3.023e-01 -6.177e-02 -6.701e-05 / CHEB/ 1.439e+01 5.368e-01 -1.016e-01 -3.484e-03 / CHEB/ -3.860e-01 3.718e-01 -5.197e-02 -9.396e-03 / CHEB/ -2.083e-01 1.912e-01 -5.986e-03 -1.123e-02 / CHEB/ -8.916e-02 6.041e-02 1.620e-02 -7.257e-03 / CHEB/ -2.426e-02 -2.420e-03 1.606e-02 -1.163e-03 /

613.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.8	-3.9	+1.7	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-21.6	-3.5	+2.3	+5.0

Chebyshev(coeffs=[[-20.7453,0.812998,-0.265355,0.0312211],[25.2901,0.53738,-0.0193205,-0.0605658],[-0.236811,0.143475,0.0470633,-0.0152092],[-0.0824614,0.0130852,0.033359,0.00709982],[-0.0515977,0.00878422,0.011866,0.00612415],[-0.0503018,0.025652,0.00329119,-0.00017]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.40
S298 (cal/mol*K) = 25.11
G298 (kcal/mol) = 75.92

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), H(25); C7H10(21), C7H9(44); C7H10(21)(+M)=>H(25)+C7H9(44)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.075e+01 8.130e-01 -2.654e-01 3.122e-02 / CHEB/ 2.529e+01 5.374e-01 -1.932e-02 -6.057e-02 / CHEB/ -2.368e-01 1.435e-01 4.706e-02 -1.521e-02 / CHEB/ -8.246e-02 1.309e-02 3.336e-02 7.100e-03 / CHEB/ -5.160e-02 8.784e-03 1.187e-02 6.124e-03 / CHEB/ -5.030e-02 2.565e-02 3.291e-03 -1.700e-04 /

614.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.3	-6.4	+0.2	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-27.0	-5.8	+0.9	+4.0

Chebyshev(coeffs=[[-26.1113,1.04415,-0.284055,0.00709693],[29.6873,0.524602,0.0534325,-0.0599529],[-0.301796,0.121154,0.0592058,-0.000692609],[-0.108448,0.00109985,0.0246144,0.0131682],[-0.0611491,0.00242704,0.00569322,0.00616667],[-0.0533538,0.0204284,0.0031741,-0.000777128]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.45
S298 (cal/mol*K) = 33.24
G298 (kcal/mol) = 88.55

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), H(25); C7H10(21), C7H9(45); C7H10(21)(+M)=>H(25)+C7H9(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.611e+01 1.044e+00 -2.841e-01 7.097e-03 / CHEB/ 2.969e+01 5.246e-01 5.343e-02 -5.995e-02 / CHEB/ -3.018e-01 1.212e-01 5.921e-02 -6.926e-04 / CHEB/ -1.084e-01 1.100e-03 2.461e-02 1.317e-02 / CHEB/ -6.115e-02 2.427e-03 5.693e-03 6.167e-03 / CHEB/ -5.335e-02 2.043e-02 3.174e-03 -7.771e-04 /

615.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.6	-6.2	+0.2	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-26.3	-5.6	+0.9	+3.9

Chebyshev(coeffs=[[-25.4514,1.01524,-0.283222,0.0105317],[28.9723,0.52869,0.0446202,-0.0614058],[-0.317041,0.124056,0.0585539,-0.00246862],[-0.116245,0.00257565,0.0260771,0.0127245],[-0.0648703,0.00349317,0.00649065,0.00628263],[-0.0544677,0.0212675,0.00319303,-0.000716424]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.40
S298 (cal/mol*K) = 32.32
G298 (kcal/mol) = 86.77

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), H(25); C7H10(21), C7H9(46); C7H10(21)(+M)=>H(25)+C7H9(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.545e+01 1.015e+00 -2.832e-01 1.053e-02 / CHEB/ 2.897e+01 5.287e-01 4.462e-02 -6.141e-02 / CHEB/ -3.170e-01 1.241e-01 5.855e-02 -2.469e-03 / CHEB/ -1.162e-01 2.576e-03 2.608e-02 1.272e-02 / CHEB/ -6.487e-02 3.493e-03 6.491e-03 6.283e-03 / CHEB/ -5.447e-02 2.127e-02 3.193e-03 -7.164e-04 /

616.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.5	-10.6	-3.0	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-34.1	-9.9	-2.2	+1.5

Chebyshev(coeffs=[[-33.055,1.25139,-0.273922,-0.0179784],[34.0482,0.490626,0.109833,-0.0414021],[-0.30586,0.0922765,0.0574885,0.0116634],[-0.0998195,-0.0144648,0.0114473,0.0141746],[-0.0529649,-0.0053641,-0.000551492,0.00387921],[-0.0501188,0.0153524,0.00305965,-0.00138505]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 112.50
S298 (cal/mol*K) = 30.61
G298 (kcal/mol) = 103.38

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), H(25); C7H10(21), C7H9(47); C7H10(21)(+M)=>H(25)+C7H9(47)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.306e+01 1.251e+00 -2.739e-01 -1.798e-02 / CHEB/ 3.405e+01 4.906e-01 1.098e-01 -4.140e-02 / CHEB/ -3.059e-01 9.228e-02 5.749e-02 1.166e-02 / CHEB/ -9.982e-02 -1.446e-02 1.145e-02 1.417e-02 / CHEB/ -5.296e-02 -5.364e-03 -5.515e-04 3.879e-03 / CHEB/ -5.012e-02 1.535e-02 3.060e-03 -1.385e-03 /

617.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.0	-1.6	+3.1	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-1.4	+3.6	+5.8

Chebyshev(coeffs=[[-16.1503,0.636756,-0.228499,0.0399191],[21.6116,0.538962,-0.0759791,-0.0441173],[-0.291982,0.163417,0.0292337,-0.0244522],[-0.0928875,0.0206671,0.0357697,-0.000553309],[-0.0500419,0.00907847,0.0155795,0.00484563],[-0.0469895,0.0258165,0.00316828,0.0007111]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.87
S298 (cal/mol*K) = 13.20
G298 (kcal/mol) = 61.94

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), C7H10(48); C7H10(21)(+M)=>C7H10(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.615e+01 6.368e-01 -2.285e-01 3.992e-02 / CHEB/ 2.161e+01 5.390e-01 -7.598e-02 -4.412e-02 / CHEB/ -2.920e-01 1.634e-01 2.923e-02 -2.445e-02 / CHEB/ -9.289e-02 2.067e-02 3.577e-02 -5.533e-04 / CHEB/ -5.004e-02 9.078e-03 1.558e-02 4.846e-03 / CHEB/ -4.699e-02 2.582e-02 3.168e-03 7.111e-04 /

618.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.7	-3.1	+2.4	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-20.6	-2.8	+2.9	+5.6

Chebyshev(coeffs=[[-19.7101,0.789881,-0.261471,0.0329587],[24.8145,0.539037,-0.0269328,-0.0593443],[-0.236257,0.145587,0.0453123,-0.0165766],[-0.0835155,0.0137659,0.0339312,0.00631035],[-0.0518224,0.00903534,0.012349,0.0060403],[-0.0499741,0.025954,0.00325862,-9.62898e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.87
S298 (cal/mol*K) = 13.20
G298 (kcal/mol) = 61.94

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), C7H10(49); C7H10(21)(+M)=>C7H10(49)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.971e+01 7.899e-01 -2.615e-01 3.296e-02 / CHEB/ 2.481e+01 5.390e-01 -2.693e-02 -5.934e-02 / CHEB/ -2.363e-01 1.456e-01 4.531e-02 -1.658e-02 / CHEB/ -8.352e-02 1.377e-02 3.393e-02 6.310e-03 / CHEB/ -5.182e-02 9.035e-03 1.235e-02 6.040e-03 / CHEB/ -4.997e-02 2.595e-02 3.259e-03 -9.629e-05 /

619.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.1	-2.4	+2.8	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-19.0	-2.1	+3.4	+5.9

Chebyshev(coeffs=[[-18.0744,0.720428,-0.246121,0.0367319],[23.4622,0.550914,-0.0504948,-0.05409],[-0.180857,0.155352,0.0401871,-0.0208048],[-0.0729812,0.0163161,0.0360593,0.00370407],[-0.0487037,0.00932697,0.0139629,0.00588734],[-0.0476482,0.0263978,0.00315753,0.000294026]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.17
S298 (cal/mol*K) = 12.47
G298 (kcal/mol) = 57.46

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), C7H10(50); C7H10(21)(+M)=>C7H10(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.807e+01 7.204e-01 -2.461e-01 3.673e-02 / CHEB/ 2.346e+01 5.509e-01 -5.049e-02 -5.409e-02 / CHEB/ -1.809e-01 1.554e-01 4.019e-02 -2.080e-02 / CHEB/ -7.298e-02 1.632e-02 3.606e-02 3.704e-03 / CHEB/ -4.870e-02 9.327e-03 1.396e-02 5.887e-03 / CHEB/ -4.765e-02 2.640e-02 3.158e-03 2.940e-04 /

620.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.9	-1.3	+2.9	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-14.9	-1.1	+3.3	+5.3

Chebyshev(coeffs=[[-14.1818,0.502951,-0.188369,0.0377312],[19.1514,0.526979,-0.115218,-0.0221139],[-0.256142,0.184331,0.00834572,-0.0269339],[-0.0806267,0.0308103,0.0340143,-0.0082681],[-0.0404329,0.00824029,0.0182693,0.00219617],[-0.039212,0.0228442,0.0035215,0.00158614]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.17
S298 (cal/mol*K) = 12.47
G298 (kcal/mol) = 57.46

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), C7H10(51); C7H10(21)(+M)=>C7H10(51)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.418e+01 5.030e-01 -1.884e-01 3.773e-02 / CHEB/ 1.915e+01 5.270e-01 -1.152e-01 -2.211e-02 / CHEB/ -2.561e-01 1.843e-01 8.346e-03 -2.693e-02 / CHEB/ -8.063e-02 3.081e-02 3.401e-02 -8.268e-03 / CHEB/ -4.043e-02 8.240e-03 1.827e-02 2.196e-03 / CHEB/ -3.921e-02 2.284e-02 3.521e-03 1.586e-03 /

621.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.6	-1.7	+2.6	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-15.6	-1.5	+3.0	+5.1

Chebyshev(coeffs=[[-14.8621,0.526832,-0.19604,0.0385865],[19.6242,0.531522,-0.109107,-0.026399],[-0.251291,0.180058,0.0128467,-0.0270296],[-0.081636,0.0282077,0.0348214,-0.0068216],[-0.0421915,0.00834629,0.0177728,0.00287498],[-0.0405325,0.0236585,0.00335779,0.00145964]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 62.77
S298 (cal/mol*K) = 12.47
G298 (kcal/mol) = 59.06

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), C7H10(52); C7H10(21)(+M)=>C7H10(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.486e+01 5.268e-01 -1.960e-01 3.859e-02 / CHEB/ 1.962e+01 5.315e-01 -1.091e-01 -2.640e-02 / CHEB/ -2.513e-01 1.801e-01 1.285e-02 -2.703e-02 / CHEB/ -8.164e-02 2.821e-02 3.482e-02 -6.822e-03 / CHEB/ -4.219e-02 8.346e-03 1.777e-02 2.875e-03 / CHEB/ -4.053e-02 2.366e-02 3.358e-03 1.460e-03 /

622.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.3	+2.0	+6.5	+8.5
log₁₀(k(10 bar)/[mole,m,s])	-12.3	+2.2	+6.9	+9.0

Chebyshev(coeffs=[[-11.4804,0.544854,-0.201234,0.0388159],[20.0947,0.536672,-0.104912,-0.0294359],[-0.207655,0.176855,0.0163268,-0.0269888],[-0.0753052,0.0258124,0.0355823,-0.00569971],[-0.0423066,0.00838005,0.0173682,0.00339779],[-0.0406678,0.0243524,0.00319448,0.00135951]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 64.44
S298 (cal/mol*K) = 22.08
G298 (kcal/mol) = 57.86

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), C7H10(53); C7H10(21)(+M)=>C7H10(53)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.148e+01 5.449e-01 -2.012e-01 3.882e-02 / CHEB/ 2.009e+01 5.367e-01 -1.049e-01 -2.944e-02 / CHEB/ -2.077e-01 1.769e-01 1.633e-02 -2.699e-02 / CHEB/ -7.531e-02 2.581e-02 3.558e-02 -5.700e-03 / CHEB/ -4.231e-02 8.380e-03 1.737e-02 3.398e-03 / CHEB/ -4.067e-02 2.435e-02 3.194e-03 1.360e-03 /

623.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.1	+5.9	+7.8	+8.7
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+5.9	+8.0	+9.0

Chebyshev(coeffs=[[0.440411,0.157927,-0.0600888,0.0104464],[8.16,0.283183,-0.104259,0.0162505],[-0.0114661,0.203376,-0.066483,0.00596254],[-0.0512184,0.115575,-0.0276566,-0.00288393],[-0.0336958,0.051155,-0.00309874,-0.00609187],[-0.0171466,0.0181898,0.00516608,-0.0045617]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.31
S298 (cal/mol*K) = -2.22
G298 (kcal/mol) = 24.97

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), C7H10(33); C7H10(21)(+M)=>C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.404e-01 1.579e-01 -6.009e-02 1.045e-02 / CHEB/ 8.160e+00 2.832e-01 -1.043e-01 1.625e-02 / CHEB/ -1.147e-02 2.034e-01 -6.648e-02 5.963e-03 / CHEB/ -5.122e-02 1.156e-01 -2.766e-02 -2.884e-03 / CHEB/ -3.370e-02 5.115e-02 -3.099e-03 -6.092e-03 / CHEB/ -1.715e-02 1.819e-02 5.166e-03 -4.562e-03 /

624.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.0	-1.1	+4.2	+6.7
log₁₀(k(10 bar)/[mole,m,s])	-18.0	-0.8	+4.8	+7.4

Chebyshev(coeffs=[[-17.005,0.739163,-0.247822,0.0355093],[23.783,0.560634,-0.0447568,-0.0560102],[-0.139941,0.157285,0.0432991,-0.0201409],[-0.0628141,0.016555,0.0366952,0.00461905],[-0.0465612,0.00932286,0.0138817,0.00624619],[-0.0475362,0.0261925,0.00321328,0.000343654]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 75.77
S298 (cal/mol*K) = 22.81
G298 (kcal/mol) = 68.97

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), C7H10(54); C7H10(21)(+M)=>C7H10(54)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.701e+01 7.392e-01 -2.478e-01 3.551e-02 / CHEB/ 2.378e+01 5.606e-01 -4.476e-02 -5.601e-02 / CHEB/ -1.399e-01 1.573e-01 4.330e-02 -2.014e-02 / CHEB/ -6.281e-02 1.656e-02 3.670e-02 4.619e-03 / CHEB/ -4.656e-02 9.323e-03 1.388e-02 6.246e-03 / CHEB/ -4.754e-02 2.619e-02 3.213e-03 3.437e-04 /

625.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	+0.7	+5.5	+7.7
log₁₀(k(10 bar)/[mole,m,s])	-14.5	+0.9	+5.9	+8.3

Chebyshev(coeffs=[[-13.5618,0.608154,-0.216624,0.0386568],[21.2937,0.556603,-0.0875207,-0.0396645],[-0.138512,0.173674,0.0273228,-0.026261],[-0.0580069,0.0229834,0.0376921,-0.00209473],[-0.0403443,0.00899691,0.0167685,0.00488015],[-0.0425877,0.0255953,0.00327073,0.00116655]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.86
S298 (cal/mol*K) = 17.97
G298 (kcal/mol) = 62.50

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), C7H10(55); C7H10(21)(+M)=>C7H10(55)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.356e+01 6.082e-01 -2.166e-01 3.866e-02 / CHEB/ 2.129e+01 5.566e-01 -8.752e-02 -3.966e-02 / CHEB/ -1.385e-01 1.737e-01 2.732e-02 -2.626e-02 / CHEB/ -5.801e-02 2.298e-02 3.769e-02 -2.095e-03 / CHEB/ -4.034e-02 8.997e-03 1.677e-02 4.880e-03 / CHEB/ -4.259e-02 2.560e-02 3.271e-03 1.167e-03 /

626.

→

PDepNetwork #11

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.5	-1.8	+4.5	+7.3
log₁₀(k(10 bar)/[mole,m,s])	-21.3	-1.3	+5.1	+8.1

Chebyshev(coeffs=[[-20.291,0.947778,-0.278483,0.0183312],[27.8782,0.540895,0.0239049,-0.0635441],[-0.21078,0.132879,0.0569839,-0.00680073],[-0.0869205,0.00671357,0.0296121,0.011441],[-0.0562708,0.00564665,0.00844594,0.00654603],[-0.0517094,0.0228331,0.00318275,-0.000494856]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.08
S298 (cal/mol*K) = 23.71
G298 (kcal/mol) = 64.01

! PDep reaction: PDepNetwork #11 ! Flux pairs: C7H10(21), C7H10(56); C7H10(21)(+M)=>C7H10(56)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.029e+01 9.478e-01 -2.785e-01 1.833e-02 / CHEB/ 2.788e+01 5.409e-01 2.390e-02 -6.354e-02 / CHEB/ -2.108e-01 1.329e-01 5.698e-02 -6.801e-03 / CHEB/ -8.692e-02 6.714e-03 2.961e-02 1.144e-02 / CHEB/ -5.627e-02 5.647e-03 8.446e-03 6.546e-03 / CHEB/ -5.171e-02 2.283e-02 3.183e-03 -4.949e-04 /

743.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.9	+0.1	+2.3	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-10.3	+0.2	+2.8	+3.4

Chebyshev(coeffs=[[-9.69069,0.0252646,-0.232002,0.00900741],[13.5236,0.998876,-0.0621744,-0.0466417],[-0.574059,0.452687,0.0601206,-0.000217043],[-0.440043,0.103544,0.055346,0.00260217],[-0.226612,0.00108448,0.0287964,0.00306511],[-0.0746979,-0.000752806,0.00444847,0.00330723]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.45
S298 (cal/mol*K) = 32.42
G298 (kcal/mol) = 33.79

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C4H5(99); C7H10(18), C3H5(98); C7H10(18)(+M)=>C4H5(99)+C3H5(98)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.691e+00 2.526e-02 -2.320e-01 9.007e-03 / CHEB/ 1.352e+01 9.989e-01 -6.217e-02 -4.664e-02 / CHEB/ -5.741e-01 4.527e-01 6.012e-02 -2.170e-04 / CHEB/ -4.400e-01 1.035e-01 5.535e-02 2.602e-03 / CHEB/ -2.266e-01 1.084e-03 2.880e-02 3.065e-03 / CHEB/ -7.470e-02 -7.528e-04 4.448e-03 3.307e-03 /

744.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	+1.9	+3.6	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-7.3	+1.9	+4.0	+4.5

Chebyshev(coeffs=[[-6.54311,-0.0948961,-0.175253,0.0220356],[11.3917,0.922748,-0.130949,-0.050977],[-0.452345,0.465014,0.0518984,-0.00800715],[-0.431305,0.130823,0.0533243,0.00702896],[-0.239743,0.017129,0.0280421,0.00383699],[-0.0822861,0.00354223,0.00607159,0.000481881]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.25
S298 (cal/mol*K) = 33.43
G298 (kcal/mol) = 25.29

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C5H7(210); C7H10(18), C2H3(100); C7H10(18)(+M)=>C5H7(210)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.543e+00 -9.490e-02 -1.753e-01 2.204e-02 / CHEB/ 1.139e+01 9.227e-01 -1.309e-01 -5.098e-02 / CHEB/ -4.523e-01 4.650e-01 5.190e-02 -8.007e-03 / CHEB/ -4.313e-01 1.308e-01 5.332e-02 7.029e-03 / CHEB/ -2.397e-01 1.713e-02 2.804e-02 3.837e-03 / CHEB/ -8.229e-02 3.542e-03 6.072e-03 4.819e-04 /

745.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.4	-6.3	-2.7	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-20.6	-5.8	-1.9	-0.5

Chebyshev(coeffs=[[-20.0875,0.459168,-0.30123,-0.0275037],[19.8757,1.09037,0.0516902,-0.0210245],[-0.66889,0.335422,0.113544,-0.00567814],[-0.374786,-0.0109945,0.0560749,0.0137792],[-0.157187,-0.0385991,0.00724366,0.0137718],[-0.046782,0.000435356,-0.00677253,0.00280093]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.50
S298 (cal/mol*K) = 24.35
G298 (kcal/mol) = 58.24

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(101); C7H10(18)(+M)=>H(25)+C7H9(101)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.009e+01 4.592e-01 -3.012e-01 -2.750e-02 / CHEB/ 1.988e+01 1.090e+00 5.169e-02 -2.102e-02 / CHEB/ -6.689e-01 3.354e-01 1.135e-01 -5.678e-03 / CHEB/ -3.748e-01 -1.099e-02 5.607e-02 1.378e-02 / CHEB/ -1.572e-01 -3.860e-02 7.244e-03 1.377e-02 / CHEB/ -4.678e-02 4.354e-04 -6.773e-03 2.801e-03 /

746.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.4	-6.3	-2.7	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-20.6	-5.8	-1.9	-0.5

H298 (kcal/mol) = 65.50
S298 (cal/mol*K) = 24.35
G298 (kcal/mol) = 58.24

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(102); C7H10(18)(+M)=>H(25)+C7H9(102)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.009e+01 4.592e-01 -3.012e-01 -2.750e-02 / CHEB/ 1.988e+01 1.090e+00 5.169e-02 -2.102e-02 / CHEB/ -6.689e-01 3.354e-01 1.135e-01 -5.678e-03 / CHEB/ -3.748e-01 -1.099e-02 5.607e-02 1.378e-02 / CHEB/ -1.572e-01 -3.860e-02 7.244e-03 1.377e-02 / CHEB/ -4.678e-02 4.354e-04 -6.773e-03 2.801e-03 /

747.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.5	-4.4	-0.5	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-19.5	-3.7	+0.4	+1.9

Chebyshev(coeffs=[[-19.3156,0.711055,-0.329019,-0.0298322],[21.6737,1.0359,0.126747,-0.0325842],[-0.879567,0.234373,0.128608,0.0113194],[-0.393439,-0.054492,0.0318756,0.0240297],[-0.148702,-0.0365044,-0.00840777,0.00937839],[-0.0450819,0.00822325,-0.00636091,-0.00227053]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 73.65
S298 (cal/mol*K) = 40.36
G298 (kcal/mol) = 61.62

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C5H7(103); C7H10(18), C2H3(100); C7H10(18)(+M)=>C5H7(103)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.932e+01 7.111e-01 -3.290e-01 -2.983e-02 / CHEB/ 2.167e+01 1.036e+00 1.267e-01 -3.258e-02 / CHEB/ -8.796e-01 2.344e-01 1.286e-01 1.132e-02 / CHEB/ -3.934e-01 -5.449e-02 3.188e-02 2.403e-02 / CHEB/ -1.487e-01 -3.650e-02 -8.408e-03 9.378e-03 / CHEB/ -4.508e-02 8.223e-03 -6.361e-03 -2.271e-03 /

748.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-3.3	-0.1	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-2.9	+0.6	+1.8

Chebyshev(coeffs=[[-15.6869,0.267001,-0.280122,-0.0199931],[17.7042,1.07546,0.00715797,-0.0212506],[-0.568755,0.402811,0.0875964,-0.00600658],[-0.386308,0.0399381,0.0620664,0.0035835],[-0.178887,-0.027221,0.0207399,0.0104342],[-0.0543029,-0.0037639,-0.00251925,0.00573916]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 56.30
S298 (cal/mol*K) = 23.25
G298 (kcal/mol) = 49.37

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(104); C7H10(18)(+M)=>H(25)+C7H9(104)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.569e+01 2.670e-01 -2.801e-01 -1.999e-02 / CHEB/ 1.770e+01 1.075e+00 7.158e-03 -2.125e-02 / CHEB/ -5.688e-01 4.028e-01 8.760e-02 -6.007e-03 / CHEB/ -3.863e-01 3.994e-02 6.207e-02 3.583e-03 / CHEB/ -1.789e-01 -2.722e-02 2.074e-02 1.043e-02 / CHEB/ -5.430e-02 -3.764e-03 -2.519e-03 5.739e-03 /

749.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-3.3	-0.1	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-2.9	+0.6	+1.8

H298 (kcal/mol) = 56.30
S298 (cal/mol*K) = 23.25
G298 (kcal/mol) = 49.37

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(105); C7H10(18)(+M)=>H(25)+C7H9(105)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.569e+01 2.670e-01 -2.801e-01 -1.999e-02 / CHEB/ 1.770e+01 1.075e+00 7.158e-03 -2.125e-02 / CHEB/ -5.688e-01 4.028e-01 8.760e-02 -6.007e-03 / CHEB/ -3.863e-01 3.994e-02 6.207e-02 3.583e-03 / CHEB/ -1.789e-01 -2.722e-02 2.074e-02 1.043e-02 / CHEB/ -5.430e-02 -3.764e-03 -2.519e-03 5.739e-03 /

750.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.3	-5.8	-2.0	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-20.4	-5.3	-1.2	+0.3

Chebyshev(coeffs=[[-19.9571,0.510775,-0.306906,-0.0279649],[20.5221,1.08627,0.0655478,-0.0233841],[-0.662667,0.314687,0.118997,-0.00348763],[-0.362929,-0.0224921,0.052249,0.0166701],[-0.149604,-0.0394536,0.00347319,0.0135869],[-0.0443633,0.00208599,-0.00723741,0.00166222]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.70
S298 (cal/mol*K) = 23.93
G298 (kcal/mol) = 60.57

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(106); C7H10(18)(+M)=>H(25)+C7H9(106)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.996e+01 5.108e-01 -3.069e-01 -2.796e-02 / CHEB/ 2.052e+01 1.086e+00 6.555e-02 -2.338e-02 / CHEB/ -6.627e-01 3.147e-01 1.190e-01 -3.488e-03 / CHEB/ -3.629e-01 -2.249e-02 5.225e-02 1.667e-02 / CHEB/ -1.496e-01 -3.945e-02 3.473e-03 1.359e-02 / CHEB/ -4.436e-02 2.086e-03 -7.237e-03 1.662e-03 /

751.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.3	-5.8	-2.0	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-20.4	-5.3	-1.2	+0.3

H298 (kcal/mol) = 67.70
S298 (cal/mol*K) = 23.93
G298 (kcal/mol) = 60.57

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(107); C7H10(18)(+M)=>H(25)+C7H9(107)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.996e+01 5.108e-01 -3.069e-01 -2.796e-02 / CHEB/ 2.052e+01 1.086e+00 6.555e-02 -2.338e-02 / CHEB/ -6.627e-01 3.147e-01 1.190e-01 -3.488e-03 / CHEB/ -3.629e-01 -2.249e-02 5.225e-02 1.667e-02 / CHEB/ -1.496e-01 -3.945e-02 3.473e-03 1.359e-02 / CHEB/ -4.436e-02 2.086e-03 -7.237e-03 1.662e-03 /

752.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+3.5	+6.0	+6.9
log₁₀(k(10 bar)/[mole,m,s])	-3.4	+3.8	+6.8	+7.8

Chebyshev(coeffs=[[-1.54489,0.160457,-0.0768424,-0.060754],[7.55159,0.904111,-0.118595,0.00652026],[0.951861,0.730165,-0.0656645,-0.0266928],[0.0592506,0.19049,0.0578485,-0.00923245],[-0.120884,-0.116559,0.0564373,0.0353126],[-0.0961093,-0.141136,0.00692392,0.020873]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.61
S298 (cal/mol*K) = -2.60
G298 (kcal/mol) = 0.16

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(108); C7H10(18)(+M)=>C7H10(108)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.545e+00 1.605e-01 -7.684e-02 -6.075e-02 / CHEB/ 7.552e+00 9.041e-01 -1.186e-01 6.520e-03 / CHEB/ 9.519e-01 7.302e-01 -6.566e-02 -2.669e-02 / CHEB/ 5.925e-02 1.905e-01 5.785e-02 -9.232e-03 / CHEB/ -1.209e-01 -1.166e-01 5.644e-02 3.531e-02 / CHEB/ -9.611e-02 -1.411e-01 6.924e-03 2.087e-02 /

753.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-0.2	+2.1	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-0.1	+2.6	+3.4

Chebyshev(coeffs=[[-10.0516,-0.00260674,-0.221921,0.0129458],[13.6384,0.984933,-0.0748961,-0.0495571],[-0.423732,0.456077,0.0581119,-0.000782036],[-0.401753,0.110048,0.0544531,0.00353627],[-0.21761,0.00473594,0.0288676,0.00275001],[-0.0721766,0.000127501,0.00501332,0.00263161]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.02
S298 (cal/mol*K) = 7.89
G298 (kcal/mol) = 33.67

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(109); C7H10(18)(+M)=>C7H10(109)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.005e+01 -2.607e-03 -2.219e-01 1.295e-02 / CHEB/ 1.364e+01 9.849e-01 -7.490e-02 -4.956e-02 / CHEB/ -4.237e-01 4.561e-01 5.811e-02 -7.820e-04 / CHEB/ -4.018e-01 1.100e-01 5.445e-02 3.536e-03 / CHEB/ -2.176e-01 4.736e-03 2.887e-02 2.750e-03 / CHEB/ -7.218e-02 1.275e-04 5.013e-03 2.632e-03 /

754.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.8	-6.0	-3.5	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-17.2	-5.9	-3.0	-2.1

Chebyshev(coeffs=[[-16.3889,0.044933,-0.238264,0.00614946],[14.4913,1.00787,-0.0541278,-0.0443096],[-0.445293,0.450039,0.0616905,-0.000116279],[-0.397961,0.0988419,0.0560423,0.00204112],[-0.210067,-0.00148345,0.0286447,0.00341555],[-0.068434,-0.00132704,0.00399932,0.00375687]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.83
S298 (cal/mol*K) = 1.78
G298 (kcal/mol) = 22.30

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(110); C7H10(18)(+M)=>C7H10(110)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.639e+01 4.493e-02 -2.383e-01 6.149e-03 / CHEB/ 1.449e+01 1.008e+00 -5.413e-02 -4.431e-02 / CHEB/ -4.453e-01 4.500e-01 6.169e-02 -1.163e-04 / CHEB/ -3.980e-01 9.884e-02 5.604e-02 2.041e-03 / CHEB/ -2.101e-01 -1.483e-03 2.864e-02 3.416e-03 / CHEB/ -6.843e-02 -1.327e-03 3.999e-03 3.757e-03 /

755.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.3	-1.3	+1.0	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-1.3	+1.4	+2.2

Chebyshev(coeffs=[[-10.826,-0.118135,-0.235781,0.003026],[13.179,0.952276,-0.0763591,-0.0414374],[-0.352407,0.443283,0.0384404,-0.00836108],[-0.359211,0.125092,0.0489285,0.00334355],[-0.20994,0.020727,0.0310406,0.00410074],[-0.0731737,0.00742386,0.00831592,0.00247341]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.22
S298 (cal/mol*K) = 7.47
G298 (kcal/mol) = 35.99

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(111); C7H10(18)(+M)=>C7H10(111)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.083e+01 -1.181e-01 -2.358e-01 3.026e-03 / CHEB/ 1.318e+01 9.523e-01 -7.636e-02 -4.144e-02 / CHEB/ -3.524e-01 4.433e-01 3.844e-02 -8.361e-03 / CHEB/ -3.592e-01 1.251e-01 4.893e-02 3.344e-03 / CHEB/ -2.099e-01 2.073e-02 3.104e-02 4.101e-03 / CHEB/ -7.317e-02 7.424e-03 8.316e-03 2.473e-03 /

756.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-3.4	-1.1	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-3.4	-0.7	+0.0

Chebyshev(coeffs=[[-12.8116,-0.0500584,-0.200878,0.018792],[13.0153,0.956901,-0.100701,-0.052543],[-0.333801,0.461002,0.0550456,-0.00323466],[-0.385729,0.120812,0.0533919,0.00535674],[-0.218636,0.011035,0.028619,0.00282761],[-0.0737011,0.0017941,0.00573898,0.00145581]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.29
S298 (cal/mol*K) = 3.72
G298 (kcal/mol) = 28.18

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(112); C7H10(18)(+M)=>C7H10(112)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.281e+01 -5.006e-02 -2.009e-01 1.879e-02 / CHEB/ 1.302e+01 9.569e-01 -1.007e-01 -5.254e-02 / CHEB/ -3.338e-01 4.610e-01 5.505e-02 -3.235e-03 / CHEB/ -3.857e-01 1.208e-01 5.339e-02 5.357e-03 / CHEB/ -2.186e-01 1.104e-02 2.862e-02 2.828e-03 / CHEB/ -7.370e-02 1.794e-03 5.739e-03 1.456e-03 /

757.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.9	-1.3	+0.3	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-1.5	+0.6	+1.1

Chebyshev(coeffs=[[-8.1956,-0.187702,-0.0828706,-0.00573675],[9.2583,0.715003,-0.217117,0.0112554],[-0.0495014,0.485655,0.0144708,-0.0384796],[-0.35351,0.159826,0.0631173,0.00190963],[-0.227225,0.0336826,0.0299395,0.0135513],[-0.0804483,0.00922718,0.00355008,0.00205502]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.70
S298 (cal/mol*K) = -1.26
G298 (kcal/mol) = 21.07

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(113); C7H10(18)(+M)=>C7H10(113)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.196e+00 -1.877e-01 -8.287e-02 -5.737e-03 / CHEB/ 9.258e+00 7.150e-01 -2.171e-01 1.126e-02 / CHEB/ -4.950e-02 4.857e-01 1.447e-02 -3.848e-02 / CHEB/ -3.535e-01 1.598e-01 6.312e-02 1.910e-03 / CHEB/ -2.272e-01 3.368e-02 2.994e-02 1.355e-02 / CHEB/ -8.045e-02 9.227e-03 3.550e-03 2.055e-03 /

758.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.8	-0.6	+1.3	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-0.7	+1.7	+2.3

Chebyshev(coeffs=[[-7.96902,-0.143725,-0.0949122,-0.000475586],[10.0836,0.814818,-0.209608,-0.00278936],[0.0652854,0.509888,0.0351568,-0.035286],[-0.338659,0.156248,0.0664146,0.00682786],[-0.224358,0.0269519,0.0285227,0.0118866],[-0.078905,0.00502415,0.00391111,0.000409765]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.43
S298 (cal/mol*K) = 2.53
G298 (kcal/mol) = 17.68

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(114); C7H10(18)(+M)=>C7H10(114)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.969e+00 -1.437e-01 -9.491e-02 -4.756e-04 / CHEB/ 1.008e+01 8.148e-01 -2.096e-01 -2.789e-03 / CHEB/ 6.529e-02 5.099e-01 3.516e-02 -3.529e-02 / CHEB/ -3.387e-01 1.562e-01 6.641e-02 6.828e-03 / CHEB/ -2.244e-01 2.695e-02 2.852e-02 1.189e-02 / CHEB/ -7.890e-02 5.024e-03 3.911e-03 4.098e-04 /

759.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	+0.8	+4.1	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-10.3	+1.4	+4.9	+6.3

Chebyshev(coeffs=[[-8.55641,0.286668,-0.175407,-0.0134151],[13.5392,1.35092,-0.157455,-0.0633326],[0.800983,0.377062,0.180408,-0.0103684],[-0.237398,-0.114824,0.0950489,0.0322207],[-0.177489,-0.0887926,-0.0241188,0.0183495],[-0.0555852,-0.0100658,-0.026511,-0.000524714]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.03
S298 (cal/mol*K) = 1.36
G298 (kcal/mol) = 24.63

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(115); C7H10(18)(+M)=>C7H10(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.556e+00 2.867e-01 -1.754e-01 -1.342e-02 / CHEB/ 1.354e+01 1.351e+00 -1.575e-01 -6.333e-02 / CHEB/ 8.010e-01 3.771e-01 1.804e-01 -1.037e-02 / CHEB/ -2.374e-01 -1.148e-01 9.505e-02 3.222e-02 / CHEB/ -1.775e-01 -8.879e-02 -2.412e-02 1.835e-02 / CHEB/ -5.559e-02 -1.007e-02 -2.651e-02 -5.247e-04 /

760.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.3	-1.8	+0.2	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-1.8	+0.5	+1.1

Chebyshev(coeffs=[[-9.64785,-0.157758,-0.124876,0.0163011],[10.8038,0.842656,-0.185536,-0.030879],[-0.152083,0.472233,0.0418348,-0.0221725],[-0.362146,0.146011,0.0565223,0.00773744],[-0.225391,0.0265394,0.0273037,0.00778643],[-0.0789301,0.00647862,0.00552318,3.86747e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.09
S298 (cal/mol*K) = 2.62
G298 (kcal/mol) = 19.31

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(116); C7H10(18)(+M)=>C7H10(116)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.648e+00 -1.578e-01 -1.249e-01 1.630e-02 / CHEB/ 1.080e+01 8.427e-01 -1.855e-01 -3.088e-02 / CHEB/ -1.521e-01 4.722e-01 4.183e-02 -2.217e-02 / CHEB/ -3.621e-01 1.460e-01 5.652e-02 7.737e-03 / CHEB/ -2.254e-01 2.654e-02 2.730e-02 7.786e-03 / CHEB/ -7.893e-02 6.479e-03 5.523e-03 3.867e-05 /

761.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.3	-2.8	-0.9	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-2.9	-0.6	-0.0

Chebyshev(coeffs=[[-10.6857,-0.155829,-0.126822,0.0168517],[10.7387,0.846436,-0.183607,-0.0321314],[-0.183313,0.47188,0.0424464,-0.02151],[-0.370579,0.145471,0.0563152,0.00779801],[-0.227922,0.026214,0.0272978,0.00758834],[-0.0797647,0.00636966,0.00557308,1.58916e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.23
S298 (cal/mol*K) = -1.66
G298 (kcal/mol) = 20.72

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(117); C7H10(18)(+M)=>C7H10(117)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.069e+01 -1.558e-01 -1.268e-01 1.685e-02 / CHEB/ 1.074e+01 8.464e-01 -1.836e-01 -3.213e-02 / CHEB/ -1.833e-01 4.719e-01 4.245e-02 -2.151e-02 / CHEB/ -3.706e-01 1.455e-01 5.632e-02 7.798e-03 / CHEB/ -2.279e-01 2.621e-02 2.730e-02 7.588e-03 / CHEB/ -7.976e-02 6.370e-03 5.573e-03 1.589e-05 /

762.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.3	-1.8	+0.2	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-1.8	+0.5	+1.1

H298 (kcal/mol) = 20.09
S298 (cal/mol*K) = 2.62
G298 (kcal/mol) = 19.31

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(118); C7H10(18)(+M)=>C7H10(118)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.648e+00 -1.578e-01 -1.249e-01 1.630e-02 / CHEB/ 1.080e+01 8.427e-01 -1.855e-01 -3.088e-02 / CHEB/ -1.521e-01 4.722e-01 4.183e-02 -2.217e-02 / CHEB/ -3.621e-01 1.460e-01 5.652e-02 7.737e-03 / CHEB/ -2.254e-01 2.654e-02 2.730e-02 7.786e-03 / CHEB/ -7.893e-02 6.479e-03 5.523e-03 3.867e-05 /

763.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-2.6	-0.7	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-2.7	-0.4	+0.2

Chebyshev(coeffs=[[-10.2896,-0.16591,-0.116187,0.0134614],[10.5176,0.824533,-0.19386,-0.024725],[-0.138369,0.473965,0.0387156,-0.0252403],[-0.361679,0.148445,0.0575326,0.007337],[-0.226402,0.0279931,0.0273892,0.00872291],[-0.0795116,0.00697532,0.00526687,0.000189355]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.43
S298 (cal/mol*K) = -2.08
G298 (kcal/mol) = 23.05

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(119); C7H10(18)(+M)=>C7H10(119)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.029e+01 -1.659e-01 -1.162e-01 1.346e-02 / CHEB/ 1.052e+01 8.245e-01 -1.939e-01 -2.472e-02 / CHEB/ -1.384e-01 4.740e-01 3.872e-02 -2.524e-02 / CHEB/ -3.617e-01 1.484e-01 5.753e-02 7.337e-03 / CHEB/ -2.264e-01 2.799e-02 2.739e-02 8.723e-03 / CHEB/ -7.951e-02 6.975e-03 5.267e-03 1.894e-04 /

764.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-3.1	-0.8	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-3.1	-0.4	+0.3

Chebyshev(coeffs=[[-12.2571,-0.0690476,-0.190804,0.0205531],[12.7032,0.943623,-0.112748,-0.0525903],[-0.304784,0.462741,0.0538176,-0.004901],[-0.38158,0.125049,0.0532171,0.00609799],[-0.219801,0.0135904,0.0284072,0.00312581],[-0.0745934,0.00251307,0.00592887,0.00101326]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.49
S298 (cal/mol*K) = 3.30
G298 (kcal/mol) = 30.51

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(120); C7H10(18)(+M)=>C7H10(120)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.226e+01 -6.905e-02 -1.908e-01 2.055e-02 / CHEB/ 1.270e+01 9.436e-01 -1.127e-01 -5.259e-02 / CHEB/ -3.048e-01 4.627e-01 5.382e-02 -4.901e-03 / CHEB/ -3.816e-01 1.250e-01 5.322e-02 6.098e-03 / CHEB/ -2.198e-01 1.359e-02 2.841e-02 3.126e-03 / CHEB/ -7.459e-02 2.513e-03 5.929e-03 1.013e-03 /

765.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-1.3	+0.1	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-1.5	+0.3	+0.7

Chebyshev(coeffs=[[-6.83236,-0.164402,-0.0768749,-0.03012],[7.38682,0.498789,-0.177514,0.0479972],[0.120685,0.504228,-0.0486811,-0.0342438],[-0.327073,0.186612,0.0643811,-0.0185338],[-0.22019,0.0371515,0.0433446,0.0174726],[-0.0695854,0.0105283,0.00257187,0.00858446]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.83
S298 (cal/mol*K) = -23.42
G298 (kcal/mol) = -45.85

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(121); C7H10(18)(+M)=>C7H10(121)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.832e+00 -1.644e-01 -7.687e-02 -3.012e-02 / CHEB/ 7.387e+00 4.988e-01 -1.775e-01 4.800e-02 / CHEB/ 1.207e-01 5.042e-01 -4.868e-02 -3.424e-02 / CHEB/ -3.271e-01 1.866e-01 6.438e-02 -1.853e-02 / CHEB/ -2.202e-01 3.715e-02 4.334e-02 1.747e-02 / CHEB/ -6.959e-02 1.053e-02 2.572e-03 8.584e-03 /

766.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	+3.5	+5.9	+6.5
log₁₀(k(10 bar)/[mole,m,s])	-7.1	+3.5	+6.3	+7.2

Chebyshev(coeffs=[[-6.13417,-0.02682,-0.203761,0.0171881],[13.3848,0.985005,-0.0944447,-0.0528351],[-0.268785,0.467492,0.0596618,-0.0022502],[-0.375688,0.117715,0.0551089,0.00534515],[-0.213963,0.00713325,0.0289422,0.00282827],[-0.0723964,-0.000207747,0.00539493,0.00179209]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.03
S298 (cal/mol*K) = 19.30
G298 (kcal/mol) = 29.28

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(122); C7H10(18)(+M)=>C7H10(122)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.134e+00 -2.682e-02 -2.038e-01 1.719e-02 / CHEB/ 1.338e+01 9.850e-01 -9.444e-02 -5.284e-02 / CHEB/ -2.688e-01 4.675e-01 5.966e-02 -2.250e-03 / CHEB/ -3.757e-01 1.177e-01 5.511e-02 5.345e-03 / CHEB/ -2.140e-01 7.133e-03 2.894e-02 2.828e-03 / CHEB/ -7.240e-02 -2.077e-04 5.395e-03 1.792e-03 /

767.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	+1.5	+4.3	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-10.4	+1.7	+4.8	+5.9

Chebyshev(coeffs=[[-9.59531,0.1087,-0.25473,-0.00296385],[15.634,1.03302,-0.0321497,-0.0362124],[-0.453746,0.439888,0.0676695,-0.00102321],[-0.386873,0.0829675,0.0584136,0.000940644],[-0.198117,-0.00962165,0.0275327,0.00508617],[-0.0629539,-0.00284555,0.00231324,0.00496677]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.48
S298 (cal/mol*K) = 16.67
G298 (kcal/mol) = 23.51

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(123); C7H10(18)(+M)=>C7H10(123)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.595e+00 1.087e-01 -2.547e-01 -2.964e-03 / CHEB/ 1.563e+01 1.033e+00 -3.215e-02 -3.621e-02 / CHEB/ -4.537e-01 4.399e-01 6.767e-02 -1.023e-03 / CHEB/ -3.869e-01 8.297e-02 5.841e-02 9.406e-04 / CHEB/ -1.981e-01 -9.622e-03 2.753e-02 5.086e-03 / CHEB/ -6.295e-02 -2.846e-03 2.313e-03 4.967e-03 /

768.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.5	+1.6	+4.0	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-8.9	+1.7	+4.5	+5.3

Chebyshev(coeffs=[[-8.00919,-0.0373907,-0.207039,0.0173933],[13.4254,0.965014,-0.0932368,-0.0520817],[-0.306165,0.459777,0.055843,-0.00236248],[-0.374758,0.117973,0.0535989,0.0048566],[-0.213322,0.00934797,0.0287262,0.00271996],[-0.0715086,0.00133169,0.0055779,0.00176501]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.21
S298 (cal/mol*K) = 21.06
G298 (kcal/mol) = 28.93

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(124); C7H10(18)(+M)=>C7H10(124)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.009e+00 -3.739e-02 -2.070e-01 1.739e-02 / CHEB/ 1.343e+01 9.650e-01 -9.324e-02 -5.208e-02 / CHEB/ -3.062e-01 4.598e-01 5.584e-02 -2.362e-03 / CHEB/ -3.748e-01 1.180e-01 5.360e-02 4.857e-03 / CHEB/ -2.133e-01 9.348e-03 2.873e-02 2.720e-03 / CHEB/ -7.151e-02 1.332e-03 5.578e-03 1.765e-03 /

769.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	+0.3	+2.5	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-9.7	+0.4	+2.9	+3.6

Chebyshev(coeffs=[[-8.88892,-0.0563366,-0.197664,0.019424],[12.7025,0.95267,-0.104565,-0.0526526],[-0.371014,0.461588,0.054646,-0.00373497],[-0.398114,0.122215,0.053315,0.00560404],[-0.223577,0.0118763,0.0285553,0.00290726],[-0.0755997,0.00202855,0.0058088,0.00130609]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.74
S298 (cal/mol*K) = 20.63
G298 (kcal/mol) = 26.59

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(125); C7H10(18)(+M)=>C7H10(125)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.889e+00 -5.634e-02 -1.977e-01 1.942e-02 / CHEB/ 1.270e+01 9.527e-01 -1.046e-01 -5.265e-02 / CHEB/ -3.710e-01 4.616e-01 5.465e-02 -3.735e-03 / CHEB/ -3.981e-01 1.222e-01 5.332e-02 5.604e-03 / CHEB/ -2.236e-01 1.188e-02 2.856e-02 2.907e-03 / CHEB/ -7.560e-02 2.029e-03 5.809e-03 1.306e-03 /

770.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-2.9	-0.4	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-2.8	+0.1	+0.9

Chebyshev(coeffs=[[-12.8909,0.00619841,-0.225268,0.011725],[13.9835,0.98951,-0.0707008,-0.0487011],[-0.387617,0.45505,0.0587225,-0.000543884],[-0.38922,0.108009,0.0547201,0.00322597],[-0.212294,0.00357774,0.0288636,0.00282437],[-0.0700964,-0.000159128,0.00484461,0.00284862]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.92
S298 (cal/mol*K) = -1.76
G298 (kcal/mol) = 34.44

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(126); C7H10(18)(+M)=>C7H10(126)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.289e+01 6.198e-03 -2.253e-01 1.173e-02 / CHEB/ 1.398e+01 9.895e-01 -7.070e-02 -4.870e-02 / CHEB/ -3.876e-01 4.550e-01 5.872e-02 -5.439e-04 / CHEB/ -3.892e-01 1.080e-01 5.472e-02 3.226e-03 / CHEB/ -2.123e-01 3.578e-03 2.886e-02 2.824e-03 / CHEB/ -7.010e-02 -1.591e-04 4.845e-03 2.849e-03 /

771.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	-1.5	+1.0	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-1.4	+1.4	+2.3

Chebyshev(coeffs=[[-11.4889,0.00160212,-0.22354,0.0123653],[13.9446,0.98714,-0.0728703,-0.0491563],[-0.375356,0.455588,0.0584041,-0.000660263],[-0.386629,0.109079,0.0545768,0.00338596],[-0.212051,0.00418607,0.028867,0.00278229],[-0.0701141,-9.81019e-06,0.00493396,0.00273583]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.00
S298 (cal/mol*K) = 1.82
G298 (kcal/mol) = 37.46

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(127); C7H10(18)(+M)=>C7H10(127)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.149e+01 1.602e-03 -2.235e-01 1.237e-02 / CHEB/ 1.394e+01 9.871e-01 -7.287e-02 -4.916e-02 / CHEB/ -3.754e-01 4.556e-01 5.840e-02 -6.603e-04 / CHEB/ -3.866e-01 1.091e-01 5.458e-02 3.386e-03 / CHEB/ -2.121e-01 4.186e-03 2.887e-02 2.782e-03 / CHEB/ -7.011e-02 -9.810e-06 4.934e-03 2.736e-03 /

772.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-4.0	-1.9	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-14.3	-3.9	-1.4	-0.9

Chebyshev(coeffs=[[-13.7722,0.036675,-0.235763,0.00734374],[13.4222,1.00407,-0.0573288,-0.0452867],[-0.646469,0.451233,0.0609397,-0.000149548],[-0.458517,0.10082,0.0557749,0.0022739],[-0.231398,-0.000402263,0.0287128,0.00325521],[-0.0760822,-0.0010888,0.00419323,0.00356955]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.12
S298 (cal/mol*K) = -0.79
G298 (kcal/mol) = 8.36

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(128); C7H10(18)(+M)=>C7H10(128)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.377e+01 3.668e-02 -2.358e-01 7.344e-03 / CHEB/ 1.342e+01 1.004e+00 -5.733e-02 -4.529e-02 / CHEB/ -6.465e-01 4.512e-01 6.094e-02 -1.495e-04 / CHEB/ -4.585e-01 1.008e-01 5.577e-02 2.274e-03 / CHEB/ -2.314e-01 -4.023e-04 2.871e-02 3.255e-03 / CHEB/ -7.608e-02 -1.089e-03 4.193e-03 3.570e-03 /

773.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-1.9	+2.2	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-15.4	-1.0	+3.1	+4.7

Chebyshev(coeffs=[[-15.5787,1.66683,-0.190741,-0.0715108],[20.2715,0.203444,0.105676,0.0293089],[-0.580879,0.0539962,0.0326586,0.0136456],[-0.230519,-0.00669693,8.49348e-05,0.00369452],[-0.141373,0.00242085,0.00184714,0.00126622],[-0.0761915,0.00647601,0.00333317,0.000935411]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.34
S298 (cal/mol*K) = 33.77
G298 (kcal/mol) = 59.28

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C4H5(99); C7H10(18), C3H5(129); C7H10(18)(+M)=>C4H5(99)+C3H5(129)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.558e+01 1.667e+00 -1.907e-01 -7.151e-02 / CHEB/ 2.027e+01 2.034e-01 1.057e-01 2.931e-02 / CHEB/ -5.809e-01 5.400e-02 3.266e-02 1.365e-02 / CHEB/ -2.305e-01 -6.697e-03 8.493e-05 3.695e-03 / CHEB/ -1.414e-01 2.421e-03 1.847e-03 1.266e-03 / CHEB/ -7.619e-02 6.476e-03 3.333e-03 9.354e-04 /

774.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.7	+0.0	+2.8	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-9.2	+0.8	+3.7	+4.8

Chebyshev(coeffs=[[-9.38773,1.24778,-0.305367,-0.0459821],[13.7547,0.498928,0.142768,-0.020133],[-0.276139,0.0982315,0.0576328,0.0151545],[-0.128649,-0.0241627,0.00275293,0.00985195],[-0.0963187,-0.0103874,-0.00148144,0.00374775],[-0.0515164,0.00957369,0.0027678,0.000186074]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 45.53
S298 (cal/mol*K) = 10.85
G298 (kcal/mol) = 42.29

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(130); C7H10(18)(+M)=>H(25)+C7H9(130)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.388e+00 1.248e+00 -3.054e-01 -4.598e-02 / CHEB/ 1.375e+01 4.989e-01 1.428e-01 -2.013e-02 / CHEB/ -2.761e-01 9.823e-02 5.763e-02 1.515e-02 / CHEB/ -1.286e-01 -2.416e-02 2.753e-03 9.852e-03 / CHEB/ -9.632e-02 -1.039e-02 -1.481e-03 3.748e-03 / CHEB/ -5.152e-02 9.574e-03 2.768e-03 1.861e-04 /

775.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.0	-3.7	+0.6	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-17.2	-2.8	+1.5	+3.3

Chebyshev(coeffs=[[-17.3169,1.6448,-0.200549,-0.0727542],[20.345,0.218199,0.110876,0.0285216],[-0.403027,0.0549082,0.0333445,0.0139745],[-0.176166,-0.00752048,-6.25208e-05,0.00387826],[-0.122738,0.00210803,0.00173933,0.00131557],[-0.0695303,0.00701086,0.00355772,0.000958842]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 68.13
S298 (cal/mol*K) = 20.43
G298 (kcal/mol) = 62.04

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(131); C7H10(18)(+M)=>H(25)+C7H9(131)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.732e+01 1.645e+00 -2.005e-01 -7.275e-02 / CHEB/ 2.034e+01 2.182e-01 1.109e-01 2.852e-02 / CHEB/ -4.030e-01 5.491e-02 3.334e-02 1.397e-02 / CHEB/ -1.762e-01 -7.520e-03 -6.252e-05 3.878e-03 / CHEB/ -1.227e-01 2.108e-03 1.739e-03 1.316e-03 / CHEB/ -6.953e-02 7.011e-03 3.558e-03 9.588e-04 /

776.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.2	-5.1	-0.6	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-4.2	+0.3	+2.2

Chebyshev(coeffs=[[-19.4104,1.67163,-0.188549,-0.0711792],[21.3412,0.200301,0.104527,0.0294378],[-0.38243,0.0538005,0.0325176,0.0135799],[-0.172676,-0.00652539,0.000115318,0.00365499],[-0.122314,0.00247692,0.00186496,0.00125477],[-0.0694876,0.00634871,0.00327687,0.000926926]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.13
S298 (cal/mol*K) = 17.73
G298 (kcal/mol) = 65.84

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(132); C7H10(18)(+M)=>H(25)+C7H9(132)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.941e+01 1.672e+00 -1.885e-01 -7.118e-02 / CHEB/ 2.134e+01 2.003e-01 1.045e-01 2.944e-02 / CHEB/ -3.824e-01 5.380e-02 3.252e-02 1.358e-02 / CHEB/ -1.727e-01 -6.525e-03 1.153e-04 3.655e-03 / CHEB/ -1.223e-01 2.477e-03 1.865e-03 1.255e-03 / CHEB/ -6.949e-02 6.349e-03 3.277e-03 9.269e-04 /

777.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.5	-3.1	+1.7	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-18.7	-2.2	+2.7	+4.6

Chebyshev(coeffs=[[-18.7747,1.73667,-0.15695,-0.0645108],[23.3969,0.159765,0.0883946,0.0297482],[-0.57815,0.0517856,0.0311674,0.0130044],[-0.238024,-0.00487571,0.000238492,0.00305727],[-0.144987,0.00261795,0.0017858,0.00102025],[-0.0761037,0.00417593,0.00219564,0.000649126]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.28
S298 (cal/mol*K) = 33.74
G298 (kcal/mol) = 69.23

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C2H3(100); C7H10(18), C5H7(133); C7H10(18)(+M)=>C2H3(100)+C5H7(133)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.877e+01 1.737e+00 -1.569e-01 -6.451e-02 / CHEB/ 2.340e+01 1.598e-01 8.839e-02 2.975e-02 / CHEB/ -5.782e-01 5.179e-02 3.117e-02 1.300e-02 / CHEB/ -2.380e-01 -4.876e-03 2.385e-04 3.057e-03 / CHEB/ -1.450e-01 2.618e-03 1.786e-03 1.020e-03 / CHEB/ -7.610e-02 4.176e-03 2.196e-03 6.491e-04 /

778.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.4	-2.1	+1.8	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-14.7	-1.3	+2.8	+4.4

Chebyshev(coeffs=[[-14.8029,1.57964,-0.22712,-0.0739966],[18.8769,0.263292,0.124703,0.0243435],[-0.335638,0.0585966,0.0360178,0.0150775],[-0.151698,-0.0102881,-0.000501285,0.00451101],[-0.112528,0.000748434,0.00124531,0.00147219],[-0.0651123,0.00823087,0.00396732,0.000918351]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.93
S298 (cal/mol*K) = 16.63
G298 (kcal/mol) = 56.97

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(134); C7H10(18)(+M)=>H(25)+C7H9(134)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.480e+01 1.580e+00 -2.271e-01 -7.400e-02 / CHEB/ 1.888e+01 2.633e-01 1.247e-01 2.434e-02 / CHEB/ -3.356e-01 5.860e-02 3.602e-02 1.508e-02 / CHEB/ -1.517e-01 -1.029e-02 -5.013e-04 4.511e-03 / CHEB/ -1.125e-01 7.484e-04 1.245e-03 1.472e-03 / CHEB/ -6.511e-02 8.231e-03 3.967e-03 9.184e-04 /

779.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.4	-2.1	+1.8	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-14.7	-1.3	+2.8	+4.4

H298 (kcal/mol) = 61.93
S298 (cal/mol*K) = 16.63
G298 (kcal/mol) = 56.97

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(135); C7H10(18)(+M)=>H(25)+C7H9(135)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.480e+01 1.580e+00 -2.271e-01 -7.400e-02 / CHEB/ 1.888e+01 2.633e-01 1.247e-01 2.434e-02 / CHEB/ -3.356e-01 5.860e-02 3.602e-02 1.508e-02 / CHEB/ -1.517e-01 -1.029e-02 -5.013e-04 4.511e-03 / CHEB/ -1.125e-01 7.484e-04 1.245e-03 1.472e-03 / CHEB/ -6.511e-02 8.231e-03 3.967e-03 9.184e-04 /

780.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.2	-4.6	+0.1	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-3.7	+1.0	+3.0

Chebyshev(coeffs=[[-19.3189,1.68871,-0.180593,-0.0698268],[22.0517,0.189186,0.100339,0.0297678],[-0.369213,0.0532096,0.0320823,0.013369],[-0.170584,-0.00596203,0.000208019,0.00351503],[-0.122099,0.00264169,0.00191131,0.00121105],[-0.0692613,0.00585737,0.00305104,0.000885299]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 73.33
S298 (cal/mol*K) = 17.31
G298 (kcal/mol) = 68.17

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(136); C7H10(18)(+M)=>H(25)+C7H9(136)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.932e+01 1.689e+00 -1.806e-01 -6.983e-02 / CHEB/ 2.205e+01 1.892e-01 1.003e-01 2.977e-02 / CHEB/ -3.692e-01 5.321e-02 3.208e-02 1.337e-02 / CHEB/ -1.706e-01 -5.962e-03 2.080e-04 3.515e-03 / CHEB/ -1.221e-01 2.642e-03 1.911e-03 1.211e-03 / CHEB/ -6.926e-02 5.857e-03 3.051e-03 8.853e-04 /

781.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-1.1	+2.6	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-0.2	+3.5	+5.0

Chebyshev(coeffs=[[-13.3788,1.57347,-0.229449,-0.0739442],[18.1826,0.267612,0.125862,0.0238173],[-0.456981,0.0590518,0.0363243,0.0151799],[-0.186976,-0.0105715,-0.000536928,0.00458129],[-0.123999,0.000585995,0.00118753,0.00149055],[-0.0690834,0.0083295,0.00399181,0.000907974]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.71
S298 (cal/mol*K) = 25.56
G298 (kcal/mol) = 52.09

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), CH2(137); C7H10(18), C6H8(94); C7H10(18)(+M)=>CH2(137)+C6H8(94)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.338e+01 1.573e+00 -2.294e-01 -7.394e-02 / CHEB/ 1.818e+01 2.676e-01 1.259e-01 2.382e-02 / CHEB/ -4.570e-01 5.905e-02 3.632e-02 1.518e-02 / CHEB/ -1.870e-01 -1.057e-02 -5.369e-04 4.581e-03 / CHEB/ -1.240e-01 5.860e-04 1.188e-03 1.491e-03 / CHEB/ -6.908e-02 8.330e-03 3.992e-03 9.080e-04 /

782.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+3.6	+4.9	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-1.8	+4.0	+5.6	+6.0

Chebyshev(coeffs=[[-1.6929,0.58911,-0.208423,-0.0163536],[7.25891,0.868177,-0.0493538,-0.0218096],[-0.211829,0.269171,0.0552772,-0.0198823],[-0.156835,-0.0137781,0.0394655,0.000917658],[-0.0982128,-0.0362945,0.0122563,0.0102111],[-0.0318993,-0.00312249,-0.00174559,0.00443127]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.01
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = 16.84

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(138); C7H10(18)(+M)=>C7H10(138)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.693e+00 5.891e-01 -2.084e-01 -1.635e-02 / CHEB/ 7.259e+00 8.682e-01 -4.935e-02 -2.181e-02 / CHEB/ -2.118e-01 2.692e-01 5.528e-02 -1.988e-02 / CHEB/ -1.568e-01 -1.378e-02 3.947e-02 9.177e-04 / CHEB/ -9.821e-02 -3.629e-02 1.226e-02 1.021e-02 / CHEB/ -3.190e-02 -3.122e-03 -1.746e-03 4.431e-03 /

783.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	+0.7	+3.7	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-8.9	+1.5	+4.5	+5.7

Chebyshev(coeffs=[[-9.08299,1.31052,-0.298057,-0.0537154],[14.4027,0.454834,0.146804,-0.0107269],[-0.307151,0.0885598,0.053204,0.0162256],[-0.13718,-0.0219552,0.00117775,0.00877435],[-0.100438,-0.00801006,-0.00114816,0.00311091],[-0.0545517,0.00974699,0.00327271,0.000276295]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.83
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = 42.02

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(139); C7H10(18)(+M)=>C7H10(139)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.083e+00 1.311e+00 -2.981e-01 -5.372e-02 / CHEB/ 1.440e+01 4.548e-01 1.468e-01 -1.073e-02 / CHEB/ -3.072e-01 8.856e-02 5.320e-02 1.623e-02 / CHEB/ -1.372e-01 -2.196e-02 1.178e-03 8.774e-03 / CHEB/ -1.004e-01 -8.010e-03 -1.148e-03 3.111e-03 / CHEB/ -5.455e-02 9.747e-03 3.273e-03 2.763e-04 /

784.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	+1.0	+3.9	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-8.5	+1.8	+4.8	+6.0

Chebyshev(coeffs=[[-8.73483,1.31102,-0.297981,-0.0537728],[14.3161,0.454513,0.146823,-0.0106557],[-0.327658,0.08846,0.0531669,0.0162359],[-0.143275,-0.0219332,0.00116622,0.0087646],[-0.10246,-0.00798818,-0.00114453,0.00310561],[-0.0552718,0.00974715,0.00327647,0.000277345]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.70
S298 (cal/mol*K) = 0.83
G298 (kcal/mol) = 41.45

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(140); C7H10(18)(+M)=>C7H10(140)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.735e+00 1.311e+00 -2.980e-01 -5.377e-02 / CHEB/ 1.432e+01 4.545e-01 1.468e-01 -1.066e-02 / CHEB/ -3.277e-01 8.846e-02 5.317e-02 1.624e-02 / CHEB/ -1.433e-01 -2.193e-02 1.166e-03 8.765e-03 / CHEB/ -1.025e-01 -7.988e-03 -1.145e-03 3.106e-03 / CHEB/ -5.527e-02 9.747e-03 3.276e-03 2.773e-04 /

785.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	+1.1	+3.7	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-7.5	+1.8	+4.5	+5.6

Chebyshev(coeffs=[[-7.56003,1.14784,-0.307797,-0.0326695],[12.6441,0.579987,0.130499,-0.0347688],[-0.195672,0.112938,0.0652483,0.0131408],[-0.113243,-0.0287034,0.00606084,0.011663],[-0.110573,-0.0135371,-0.00190371,0.00475544],[-0.0430337,0.00882162,0.00181438,0.000163195]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.51
S298 (cal/mol*K) = -2.12
G298 (kcal/mol) = 26.14

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(141); C7H10(18)(+M)=>C7H10(141)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.560e+00 1.148e+00 -3.078e-01 -3.267e-02 / CHEB/ 1.264e+01 5.800e-01 1.305e-01 -3.477e-02 / CHEB/ -1.957e-01 1.129e-01 6.525e-02 1.314e-02 / CHEB/ -1.132e-01 -2.870e-02 6.061e-03 1.166e-02 / CHEB/ -1.106e-01 -1.354e-02 -1.904e-03 4.755e-03 / CHEB/ -4.303e-02 8.822e-03 1.814e-03 1.632e-04 /

786.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-2.2	+1.4	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-13.9	-1.4	+2.3	+3.9

Chebyshev(coeffs=[[-14.0118,1.51362,-0.249951,-0.0717404],[17.521,0.314512,0.137415,0.0178117],[-0.323929,0.0641108,0.0398809,0.0163359],[-0.141566,-0.0135372,-0.000802282,0.00538969],[-0.0901442,-0.00145005,0.000458084,0.00169519],[-0.0653932,0.00904517,0.00406128,0.000751]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.83
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = 42.02

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(142); C7H10(18)(+M)=>C7H10(142)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.401e+01 1.514e+00 -2.500e-01 -7.174e-02 / CHEB/ 1.752e+01 3.145e-01 1.374e-01 1.781e-02 / CHEB/ -3.239e-01 6.411e-02 3.988e-02 1.634e-02 / CHEB/ -1.416e-01 -1.354e-02 -8.023e-04 5.390e-03 / CHEB/ -9.014e-02 -1.450e-03 4.581e-04 1.695e-03 / CHEB/ -6.539e-02 9.045e-03 4.061e-03 7.510e-04 /

787.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	+0.0	+2.8	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-9.2	+0.7	+3.6	+4.7

Chebyshev(coeffs=[[-9.479,1.07006,-0.421648,-0.0965985],[13.8381,0.65895,0.24156,0.0147428],[-0.373215,0.0678615,0.0445486,0.0160157],[-0.137862,-0.0363286,-0.00615016,0.00546221],[-0.085381,0.00224976,0.00514031,0.00554995],[-0.0441121,0.0199857,0.0096096,0.00344768]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.90
S298 (cal/mol*K) = 0.41
G298 (kcal/mol) = 43.78

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(143); C7H10(18)(+M)=>C7H10(143)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.479e+00 1.070e+00 -4.216e-01 -9.660e-02 / CHEB/ 1.384e+01 6.589e-01 2.416e-01 1.474e-02 / CHEB/ -3.732e-01 6.786e-02 4.455e-02 1.602e-02 / CHEB/ -1.379e-01 -3.633e-02 -6.150e-03 5.462e-03 / CHEB/ -8.538e-02 2.250e-03 5.140e-03 5.550e-03 / CHEB/ -4.411e-02 1.999e-02 9.610e-03 3.448e-03 /

788.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	+0.0	+2.4	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-8.2	+0.7	+3.2	+4.2

Chebyshev(coeffs=[[-8.46028,1.14592,-0.309921,-0.0330264],[12.2689,0.569225,0.128973,-0.0342941],[-0.346811,0.11575,0.0642963,0.0122593],[-0.151451,-0.0271148,0.0063486,0.011358],[-0.102137,-0.0143309,-0.00164972,0.00493414],[-0.0509206,0.00894821,0.00178812,0.000170613]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.70
S298 (cal/mol*K) = 3.53
G298 (kcal/mol) = 37.65

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(144); C7H10(18)(+M)=>C7H10(144)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.460e+00 1.146e+00 -3.099e-01 -3.303e-02 / CHEB/ 1.227e+01 5.692e-01 1.290e-01 -3.429e-02 / CHEB/ -3.468e-01 1.157e-01 6.430e-02 1.226e-02 / CHEB/ -1.515e-01 -2.711e-02 6.349e-03 1.136e-02 / CHEB/ -1.021e-01 -1.433e-02 -1.650e-03 4.934e-03 / CHEB/ -5.092e-02 8.948e-03 1.788e-03 1.706e-04 /

789.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	+0.5	+2.2	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+1.1	+2.9	+3.6

Chebyshev(coeffs=[[-5.81794,0.749527,-0.253455,-0.00654235],[8.92697,0.810987,0.00951802,-0.0451988],[-0.220527,0.209364,0.0715067,-0.0111268],[-0.136484,-0.0271098,0.0295688,0.00897172],[-0.0929009,-0.0301996,0.00455872,0.0100279],[-0.0365445,0.00263076,-0.00196784,0.00238318]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.33
S298 (cal/mol*K) = -7.88
G298 (kcal/mol) = 28.68

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(145); C7H10(18)(+M)=>C7H10(145)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.818e+00 7.495e-01 -2.535e-01 -6.542e-03 / CHEB/ 8.927e+00 8.110e-01 9.518e-03 -4.520e-02 / CHEB/ -2.205e-01 2.094e-01 7.151e-02 -1.113e-02 / CHEB/ -1.365e-01 -2.711e-02 2.957e-02 8.972e-03 / CHEB/ -9.290e-02 -3.020e-02 4.559e-03 1.003e-02 / CHEB/ -3.654e-02 2.631e-03 -1.968e-03 2.383e-03 /

790.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	+1.1	+3.2	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+1.7	+4.0	+4.9

Chebyshev(coeffs=[[-5.73833,0.829887,-0.259753,-0.00839547],[9.83645,0.822911,0.0363711,-0.0490429],[-0.0294997,0.182673,0.0815957,-0.00494345],[-0.084467,-0.0387238,0.0254867,0.0130216],[-0.0790881,-0.0296346,0.000613539,0.00989475],[-0.0368945,0.00487375,-0.0021876,0.00146084]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.11
S298 (cal/mol*K) = -4.07
G298 (kcal/mol) = 25.32

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(146); C7H10(18)(+M)=>C7H10(146)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.738e+00 8.299e-01 -2.598e-01 -8.395e-03 / CHEB/ 9.836e+00 8.229e-01 3.637e-02 -4.904e-02 / CHEB/ -2.950e-02 1.827e-01 8.160e-02 -4.943e-03 / CHEB/ -8.447e-02 -3.872e-02 2.549e-02 1.302e-02 / CHEB/ -7.909e-02 -2.963e-02 6.135e-04 9.895e-03 / CHEB/ -3.689e-02 4.874e-03 -2.188e-03 1.461e-03 /

791.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	+2.4	+3.5	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-2.4	+2.8	+4.2	+4.5

Chebyshev(coeffs=[[-2.2181,0.501905,-0.185717,-0.0242113],[6.27398,0.872863,-0.0717764,-0.00736963],[-0.172298,0.310302,0.0368137,-0.0205664],[-0.168917,0.00360282,0.0414313,-0.00504166],[-0.101624,-0.0377291,0.0184469,0.00852423],[-0.0278293,-0.00796346,-3.1759e-05,0.00543528]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.23
S298 (cal/mol*K) = -7.53
G298 (kcal/mol) = 18.47

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(147); C7H10(18)(+M)=>C7H10(147)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.218e+00 5.019e-01 -1.857e-01 -2.421e-02 / CHEB/ 6.274e+00 8.729e-01 -7.178e-02 -7.370e-03 / CHEB/ -1.723e-01 3.103e-01 3.681e-02 -2.057e-02 / CHEB/ -1.689e-01 3.603e-03 4.143e-02 -5.042e-03 / CHEB/ -1.016e-01 -3.773e-02 1.845e-02 8.524e-03 / CHEB/ -2.783e-02 -7.963e-03 -3.176e-05 5.435e-03 /

792.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.3	+4.0	+4.3	+4.2
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+4.2	+4.9	+4.9

Chebyshev(coeffs=[[1.50436,0.291112,-0.163579,-0.0378033],[2.93304,0.791625,-0.0628662,0.0162758],[-0.0671778,0.377504,-0.0225847,-0.0114813],[-0.252133,0.088754,0.0182402,-0.0130375],[-0.132888,-0.00976956,0.0277487,-0.000753005],[-0.0224646,-0.0170997,0.0101847,0.00386104]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.73
S298 (cal/mol*K) = -14.75
G298 (kcal/mol) = 5.13

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(148); C7H10(18)(+M)=>C7H10(148)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.504e+00 2.911e-01 -1.636e-01 -3.780e-02 / CHEB/ 2.933e+00 7.916e-01 -6.287e-02 1.628e-02 / CHEB/ -6.718e-02 3.775e-01 -2.258e-02 -1.148e-02 / CHEB/ -2.521e-01 8.875e-02 1.824e-02 -1.304e-02 / CHEB/ -1.329e-01 -9.770e-03 2.775e-02 -7.530e-04 / CHEB/ -2.246e-02 -1.710e-02 1.018e-02 3.861e-03 /

793.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.0	+1.7	+3.1	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-4.0	+2.2	+3.8	+4.3

Chebyshev(coeffs=[[-3.93406,0.657836,-0.228076,-0.0109287],[7.84645,0.849473,-0.0254796,-0.0331082],[-0.253169,0.241036,0.0646243,-0.0169557],[-0.157077,-0.021511,0.035674,0.00496688],[-0.0989033,-0.0338666,0.00839422,0.0105099],[-0.0352731,-0.00025505,-0.00214888,0.00351366]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.91
S298 (cal/mol*K) = -5.56
G298 (kcal/mol) = 24.57

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(149); C7H10(18)(+M)=>C7H10(149)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.934e+00 6.578e-01 -2.281e-01 -1.093e-02 / CHEB/ 7.846e+00 8.495e-01 -2.548e-02 -3.311e-02 / CHEB/ -2.532e-01 2.410e-01 6.462e-02 -1.696e-02 / CHEB/ -1.571e-01 -2.151e-02 3.567e-02 4.967e-03 / CHEB/ -9.890e-02 -3.387e-02 8.394e-03 1.051e-02 / CHEB/ -3.527e-02 -2.550e-04 -2.149e-03 3.514e-03 /

794.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.6	+5.6	+6.5	+6.7
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+6.0	+7.2	+7.5

Chebyshev(coeffs=[[1.89075,0.409722,-0.167071,-0.032371],[4.96799,0.862239,-0.0768392,0.00504962],[-0.0105257,0.361437,0.00979943,-0.0165963],[-0.177084,0.0366586,0.0372191,-0.0107026],[-0.103686,-0.0352308,0.0263817,0.00488081],[-0.0205623,-0.0159065,0.00413693,0.00597438]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.78
S298 (cal/mol*K) = -13.07
G298 (kcal/mol) = -24.89

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(150); C7H10(18)(+M)=>C7H10(150)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.891e+00 4.097e-01 -1.671e-01 -3.237e-02 / CHEB/ 4.968e+00 8.622e-01 -7.684e-02 5.050e-03 / CHEB/ -1.053e-02 3.614e-01 9.799e-03 -1.660e-02 / CHEB/ -1.771e-01 3.666e-02 3.722e-02 -1.070e-02 / CHEB/ -1.037e-01 -3.523e-02 2.638e-02 4.881e-03 / CHEB/ -2.056e-02 -1.591e-02 4.137e-03 5.974e-03 /

795.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.3	+4.5	+5.9	+6.4
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+4.9	+6.7	+7.2

Chebyshev(coeffs=[[-1.19224,0.626869,-0.219174,-0.0132087],[7.90318,0.859245,-0.0366771,-0.0281518],[-0.165995,0.253196,0.0609317,-0.0184829],[-0.136295,-0.0185162,0.0375242,0.00324468],[-0.0917241,-0.0350287,0.0100207,0.0104638],[-0.0314321,-0.00145107,-0.00204588,0.00392784]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.05
S298 (cal/mol*K) = 1.53
G298 (kcal/mol) = 21.59

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(151); C7H10(18)(+M)=>C7H10(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.192e+00 6.269e-01 -2.192e-01 -1.321e-02 / CHEB/ 7.903e+00 8.592e-01 -3.668e-02 -2.815e-02 / CHEB/ -1.660e-01 2.532e-01 6.093e-02 -1.848e-02 / CHEB/ -1.363e-01 -1.852e-02 3.752e-02 3.245e-03 / CHEB/ -9.172e-02 -3.503e-02 1.002e-02 1.046e-02 / CHEB/ -3.143e-02 -1.451e-03 -2.046e-03 3.928e-03 /

796.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	+4.8	+7.7	+8.9
log₁₀(k(10 bar)/[mole,m,s])	-4.6	+5.5	+8.5	+9.8

Chebyshev(coeffs=[[-4.67543,1.26071,-0.301385,-0.0463657],[13.9039,0.507816,0.147294,-0.0191395],[-0.208479,0.0944057,0.0580765,0.0165276],[-0.105259,-0.0260561,0.00191827,0.0100381],[-0.0873771,-0.0104401,-0.00187419,0.00354063],[-0.0493323,0.00952409,0.00278813,0.000148733]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.89
S298 (cal/mol*K) = 14.46
G298 (kcal/mol) = 36.58

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(152); C7H10(18)(+M)=>C7H10(152)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.675e+00 1.261e+00 -3.014e-01 -4.637e-02 / CHEB/ 1.390e+01 5.078e-01 1.473e-01 -1.914e-02 / CHEB/ -2.085e-01 9.441e-02 5.808e-02 1.653e-02 / CHEB/ -1.053e-01 -2.606e-02 1.918e-03 1.004e-02 / CHEB/ -8.738e-02 -1.044e-02 -1.874e-03 3.541e-03 / CHEB/ -4.933e-02 9.524e-03 2.788e-03 1.487e-04 /

797.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	+3.0	+5.8	+7.0
log₁₀(k(10 bar)/[mole,m,s])	-6.4	+3.7	+6.7	+7.9

Chebyshev(coeffs=[[-6.53709,1.26007,-0.304214,-0.047531],[13.935,0.490306,0.143836,-0.0183094],[-0.269404,0.096287,0.056776,0.0154043],[-0.126474,-0.0237538,0.00240671,0.00964753],[-0.095853,-0.00991829,-0.00142801,0.00361701],[-0.0516611,0.00962117,0.00287359,0.000199382]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.89
S298 (cal/mol*K) = 14.46
G298 (kcal/mol) = 36.58

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(153); C7H10(18)(+M)=>C7H10(153)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.537e+00 1.260e+00 -3.042e-01 -4.753e-02 / CHEB/ 1.393e+01 4.903e-01 1.438e-01 -1.831e-02 / CHEB/ -2.694e-01 9.629e-02 5.678e-02 1.540e-02 / CHEB/ -1.265e-01 -2.375e-02 2.407e-03 9.648e-03 / CHEB/ -9.585e-02 -9.918e-03 -1.428e-03 3.617e-03 / CHEB/ -5.166e-02 9.621e-03 2.874e-03 1.994e-04 /

798.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	+1.7	+4.3	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-7.1	+2.4	+5.1	+6.1

Chebyshev(coeffs=[[-7.33971,1.22446,-0.307204,-0.0430215],[13.1459,0.515145,0.140382,-0.0235351],[-0.349199,0.102074,0.0592354,0.0146136],[-0.150443,-0.0249145,0.0034657,0.0102307],[-0.103117,-0.0112837,-0.00156508,0.00400428],[-0.0533021,0.00946323,0.00255807,0.000167563]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.37
S298 (cal/mol*K) = 14.01
G298 (kcal/mol) = 34.19

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(154); C7H10(18)(+M)=>C7H10(154)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.340e+00 1.224e+00 -3.072e-01 -4.302e-02 / CHEB/ 1.315e+01 5.151e-01 1.404e-01 -2.354e-02 / CHEB/ -3.492e-01 1.021e-01 5.924e-02 1.461e-02 / CHEB/ -1.504e-01 -2.491e-02 3.466e-03 1.023e-02 / CHEB/ -1.031e-01 -1.128e-02 -1.565e-03 4.004e-03 / CHEB/ -5.330e-02 9.463e-03 2.558e-03 1.676e-04 /

799.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-0.2	+2.8	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-9.9	+0.6	+3.6	+4.9

Chebyshev(coeffs=[[-10.1053,1.32032,-0.296588,-0.0548716],[14.5533,0.447961,0.147116,-0.00925108],[-0.302325,0.0870738,0.0525005,0.016352],[-0.135863,-0.0215766,0.000974833,0.0085986],[-0.100212,-0.00763623,-0.00108134,0.00301793],[-0.0547087,0.00975995,0.00334329,0.000294858]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.64
S298 (cal/mol*K) = -4.80
G298 (kcal/mol) = 45.07

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(155); C7H10(18)(+M)=>C7H10(155)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.011e+01 1.320e+00 -2.966e-01 -5.487e-02 / CHEB/ 1.455e+01 4.480e-01 1.471e-01 -9.251e-03 / CHEB/ -3.023e-01 8.707e-02 5.250e-02 1.635e-02 / CHEB/ -1.359e-01 -2.158e-02 9.748e-04 8.599e-03 / CHEB/ -1.002e-01 -7.636e-03 -1.081e-03 3.018e-03 / CHEB/ -5.471e-02 9.760e-03 3.343e-03 2.949e-04 /

800.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.8	+0.1	+2.1	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-9.2	+0.0	+2.4	+3.0

Chebyshev(coeffs=[[-8.37685,-0.2018,-0.204956,0.00329858],[11.6107,0.903434,-0.118054,-0.0362796],[-0.33968,0.435548,0.0280051,-0.0168896],[-0.37495,0.132301,0.0465145,0.00412225],[-0.225241,0.0268968,0.0294875,0.00581895],[-0.0805662,0.00913572,0.00819689,0.00141862]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.87
S298 (cal/mol*K) = 23.27
G298 (kcal/mol) = 27.94

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C3H5(98); C7H10(18), C4H5(156); C7H10(18)(+M)=>C3H5(98)+C4H5(156)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.377e+00 -2.018e-01 -2.050e-01 3.299e-03 / CHEB/ 1.161e+01 9.034e-01 -1.181e-01 -3.628e-02 / CHEB/ -3.397e-01 4.355e-01 2.801e-02 -1.689e-02 / CHEB/ -3.750e-01 1.323e-01 4.651e-02 4.122e-03 / CHEB/ -2.252e-01 2.690e-02 2.949e-02 5.819e-03 / CHEB/ -8.057e-02 9.136e-03 8.197e-03 1.419e-03 /

801.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.7	-4.8	-1.9	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-17.0	-4.7	-1.4	-0.3

Chebyshev(coeffs=[[-16.2857,0.0720847,-0.285883,-0.0180355],[16.181,1.00386,-0.0222441,-0.0274046],[-0.484477,0.417673,0.0533313,-0.00787566],[-0.368534,0.080776,0.0528105,-0.00160117],[-0.193237,-0.00478748,0.0277564,0.00551696],[-0.064674,0.000822345,0.00390947,0.00562278]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 51.80
S298 (cal/mol*K) = 14.02
G298 (kcal/mol) = 47.62

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(157); C7H10(18)(+M)=>H(25)+C7H9(157)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.629e+01 7.208e-02 -2.859e-01 -1.804e-02 / CHEB/ 1.618e+01 1.004e+00 -2.224e-02 -2.740e-02 / CHEB/ -4.845e-01 4.177e-01 5.333e-02 -7.876e-03 / CHEB/ -3.685e-01 8.078e-02 5.281e-02 -1.601e-03 / CHEB/ -1.932e-01 -4.787e-03 2.776e-02 5.517e-03 / CHEB/ -6.467e-02 8.223e-04 3.909e-03 5.623e-03 /

802.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.9	-5.8	-2.5	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-20.0	-5.4	-1.7	-0.5

Chebyshev(coeffs=[[-19.8115,0.495941,-0.331106,-0.0340449],[19.9392,1.03746,0.064509,-0.0265961],[-0.937377,0.30116,0.107875,-0.00768027],[-0.429746,-0.0185155,0.0476005,0.0145824],[-0.177744,-0.0345416,0.00467602,0.0130375],[-0.0588798,0.00386868,-0.00522261,0.00222305]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 68.72
S298 (cal/mol*K) = 33.47
G298 (kcal/mol) = 58.75

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C2H3(100); C7H10(18), C5H7(158); C7H10(18)(+M)=>C2H3(100)+C5H7(158)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.981e+01 4.959e-01 -3.311e-01 -3.404e-02 / CHEB/ 1.994e+01 1.037e+00 6.451e-02 -2.660e-02 / CHEB/ -9.374e-01 3.012e-01 1.079e-01 -7.680e-03 / CHEB/ -4.297e-01 -1.852e-02 4.760e-02 1.458e-02 / CHEB/ -1.777e-01 -3.454e-02 4.676e-03 1.304e-02 / CHEB/ -5.888e-02 3.869e-03 -5.223e-03 2.223e-03 /

803.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-5.5	-2.3	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-18.2	-5.2	-1.8	-0.6

Chebyshev(coeffs=[[-17.5559,0.15674,-0.2949,-0.0252525],[17.196,1.0332,-0.00587446,-0.0215337],[-0.531006,0.406838,0.0648729,-0.00984111],[-0.371893,0.060815,0.0559915,-0.000741972],[-0.176792,-0.01556,0.0251231,0.00798715],[-0.0634089,-0.00131201,0.00142935,0.00629831]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 53.87
S298 (cal/mol*K) = 14.78
G298 (kcal/mol) = 49.46

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(159); C7H10(18)(+M)=>H(25)+C7H9(159)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.756e+01 1.567e-01 -2.949e-01 -2.525e-02 / CHEB/ 1.720e+01 1.033e+00 -5.874e-03 -2.153e-02 / CHEB/ -5.310e-01 4.068e-01 6.487e-02 -9.841e-03 / CHEB/ -3.719e-01 6.081e-02 5.599e-02 -7.420e-04 / CHEB/ -1.768e-01 -1.556e-02 2.512e-02 7.987e-03 / CHEB/ -6.341e-02 -1.312e-03 1.429e-03 6.298e-03 /

804.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.3	-7.1	-3.8	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-20.6	-6.8	-3.1	-1.7

Chebyshev(coeffs=[[-19.9736,0.281826,-0.306982,-0.0323017],[18.4117,1.05631,0.0163867,-0.0176481],[-0.598938,0.37629,0.0825169,-0.0124845],[-0.32973,0.0267465,0.0573241,0.0035552],[-0.157377,-0.0293476,0.0185431,0.0116518],[-0.0333483,-0.00232918,-0.00208352,0.00593339]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.60
S298 (cal/mol*K) = 13.90
G298 (kcal/mol) = 55.45

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(160); C7H10(18)(+M)=>H(25)+C7H9(160)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.997e+01 2.818e-01 -3.070e-01 -3.230e-02 / CHEB/ 1.841e+01 1.056e+00 1.639e-02 -1.765e-02 / CHEB/ -5.989e-01 3.763e-01 8.252e-02 -1.248e-02 / CHEB/ -3.297e-01 2.675e-02 5.732e-02 3.555e-03 / CHEB/ -1.574e-01 -2.935e-02 1.854e-02 1.165e-02 / CHEB/ -3.335e-02 -2.329e-03 -2.084e-03 5.933e-03 /

805.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.9	-11.2	-6.7	-4.8
log₁₀(k(10 bar)/[mole,m,s])	-27.9	-10.6	-5.8	-3.9

Chebyshev(coeffs=[[-27.6191,0.83412,-0.362715,-0.0416512],[24.0112,0.922346,0.165482,-0.0351228],[-0.773376,0.185166,0.113746,0.0185469],[-0.341215,-0.0592024,0.0156689,0.0219202],[-0.135831,-0.0292353,-0.0104402,0.00552551],[-0.0474543,0.0116608,-0.00277172,-0.0026875]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.90
S298 (cal/mol*K) = 19.52
G298 (kcal/mol) = 75.08

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(161); C7H10(18)(+M)=>H(25)+C7H9(161)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.762e+01 8.341e-01 -3.627e-01 -4.165e-02 / CHEB/ 2.401e+01 9.223e-01 1.655e-01 -3.512e-02 / CHEB/ -7.734e-01 1.852e-01 1.137e-01 1.855e-02 / CHEB/ -3.412e-01 -5.920e-02 1.567e-02 2.192e-02 / CHEB/ -1.358e-01 -2.924e-02 -1.044e-02 5.526e-03 / CHEB/ -4.745e-02 1.166e-02 -2.772e-03 -2.687e-03 /

806.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.9	-11.2	-6.7	-4.8
log₁₀(k(10 bar)/[mole,m,s])	-27.9	-10.6	-5.8	-3.9

H298 (kcal/mol) = 80.90
S298 (cal/mol*K) = 19.52
G298 (kcal/mol) = 75.08

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(162); C7H10(18)(+M)=>H(25)+C7H9(162)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.762e+01 8.341e-01 -3.627e-01 -4.165e-02 / CHEB/ 2.401e+01 9.223e-01 1.655e-01 -3.512e-02 / CHEB/ -7.734e-01 1.852e-01 1.137e-01 1.855e-02 / CHEB/ -3.412e-01 -5.920e-02 1.567e-02 2.192e-02 / CHEB/ -1.358e-01 -2.924e-02 -1.044e-02 5.526e-03 / CHEB/ -4.745e-02 1.166e-02 -2.772e-03 -2.687e-03 /

807.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.5	-10.4	-6.0	-4.3
log₁₀(k(10 bar)/[mole,m,s])	-26.5	-9.7	-5.2	-3.4

Chebyshev(coeffs=[[-26.1511,0.720361,-0.354489,-0.0363961],[23.0214,0.974176,0.13133,-0.0368384],[-0.759013,0.221865,0.116996,0.00927294],[-0.348806,-0.0502311,0.0272714,0.0216993],[-0.141684,-0.0326073,-0.00693626,0.00872335],[-0.0483757,0.00943012,-0.00438238,-0.00156964]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.40
S298 (cal/mol*K) = 19.52
G298 (kcal/mol) = 71.58

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(163); C7H10(18)(+M)=>H(25)+C7H9(163)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.615e+01 7.204e-01 -3.545e-01 -3.640e-02 / CHEB/ 2.302e+01 9.742e-01 1.313e-01 -3.684e-02 / CHEB/ -7.590e-01 2.219e-01 1.170e-01 9.273e-03 / CHEB/ -3.488e-01 -5.023e-02 2.727e-02 2.170e-02 / CHEB/ -1.417e-01 -3.261e-02 -6.936e-03 8.723e-03 / CHEB/ -4.838e-02 9.430e-03 -4.382e-03 -1.570e-03 /

808.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.4	-9.9	-5.4	-3.5
log₁₀(k(10 bar)/[mole,m,s])	-26.4	-9.2	-4.5	-2.6

Chebyshev(coeffs=[[-26.0519,0.786453,-0.35977,-0.0390592],[23.6917,0.945389,0.151446,-0.0365642],[-0.747187,0.200191,0.115695,0.0147711],[-0.338283,-0.0559265,0.0205319,0.0220962],[-0.13623,-0.0307546,-0.00918256,0.00688891],[-0.0470729,0.0107722,-0.00350786,-0.00229359]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.60
S298 (cal/mol*K) = 19.10
G298 (kcal/mol) = 73.90

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(164); C7H10(18)(+M)=>H(25)+C7H9(164)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.605e+01 7.865e-01 -3.598e-01 -3.906e-02 / CHEB/ 2.369e+01 9.454e-01 1.514e-01 -3.656e-02 / CHEB/ -7.472e-01 2.002e-01 1.157e-01 1.477e-02 / CHEB/ -3.383e-01 -5.593e-02 2.053e-02 2.210e-02 / CHEB/ -1.362e-01 -3.075e-02 -9.183e-03 6.889e-03 / CHEB/ -4.707e-02 1.077e-02 -3.508e-03 -2.294e-03 /

809.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-1.5	+0.5	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-1.6	+0.8	+1.5

Chebyshev(coeffs=[[-9.56513,-0.245064,-0.182324,-0.00229092],[11.1166,0.873968,-0.141523,-0.0232019],[-0.214516,0.435372,0.0216629,-0.0241811],[-0.348644,0.139233,0.047802,0.00383384],[-0.220653,0.0320682,0.0296269,0.00810365],[-0.0795021,0.0107505,0.00800768,0.00154946]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.32
S298 (cal/mol*K) = 0.74
G298 (kcal/mol) = 26.10

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(165); C7H10(18)(+M)=>C7H10(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.565e+00 -2.451e-01 -1.823e-01 -2.291e-03 / CHEB/ 1.112e+01 8.740e-01 -1.415e-01 -2.320e-02 / CHEB/ -2.145e-01 4.354e-01 2.166e-02 -2.418e-02 / CHEB/ -3.486e-01 1.392e-01 4.780e-02 3.834e-03 / CHEB/ -2.207e-01 3.207e-02 2.963e-02 8.104e-03 / CHEB/ -7.950e-02 1.075e-02 8.008e-03 1.549e-03 /

810.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-1.4	+0.7	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-10.6	-1.5	+1.0	+1.6

Chebyshev(coeffs=[[-9.56288,-0.243442,-0.183225,-0.00194344],[11.2641,0.875268,-0.140629,-0.0239016],[-0.191454,0.435379,0.0219632,-0.0238432],[-0.341328,0.13897,0.0477347,0.0038676],[-0.218113,0.0318682,0.0296107,0.00800223],[-0.0785838,0.0106872,0.00802179,0.0015325]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.72
S298 (cal/mol*K) = 1.39
G298 (kcal/mol) = 26.31

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(166); C7H10(18)(+M)=>C7H10(166)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.563e+00 -2.434e-01 -1.832e-01 -1.943e-03 / CHEB/ 1.126e+01 8.753e-01 -1.406e-01 -2.390e-02 / CHEB/ -1.915e-01 4.354e-01 2.196e-02 -2.384e-02 / CHEB/ -3.413e-01 1.390e-01 4.773e-02 3.868e-03 / CHEB/ -2.181e-01 3.187e-02 2.961e-02 8.002e-03 / CHEB/ -7.858e-02 1.069e-02 8.022e-03 1.533e-03 /

811.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.1	-4.5	-2.2	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-14.5	-4.6	-1.8	-0.8

Chebyshev(coeffs=[[-13.7559,-0.136796,-0.228143,0.00322504],[12.9583,0.949578,-0.0906745,-0.0426472],[-0.358294,0.442697,0.034864,-0.0112482],[-0.310347,0.121942,0.0477688,0.00341356],[-0.117509,0.015845,0.0305723,0.00428272],[-0.06224,0.00484561,0.00788825,0.00197012]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.33
S298 (cal/mol*K) = -4.33
G298 (kcal/mol) = 16.62

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(167); C7H10(18)(+M)=>C7H10(167)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.376e+01 -1.368e-01 -2.281e-01 3.225e-03 / CHEB/ 1.296e+01 9.496e-01 -9.067e-02 -4.265e-02 / CHEB/ -3.583e-01 4.427e-01 3.486e-02 -1.125e-02 / CHEB/ -3.103e-01 1.219e-01 4.777e-02 3.414e-03 / CHEB/ -1.175e-01 1.584e-02 3.057e-02 4.283e-03 / CHEB/ -6.224e-02 4.846e-03 7.888e-03 1.970e-03 /

812.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-2.8	-0.3	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-2.7	+0.1	+1.2

Chebyshev(coeffs=[[-12.2812,-0.091629,-0.246553,0.000185067],[13.5332,0.96261,-0.0695729,-0.0424604],[-0.546415,0.438441,0.0379489,-0.00817749],[-0.299686,0.113934,0.0479428,0.00194775],[-0.0259583,0.0116121,0.0303308,0.00353829],[-0.0448413,0.00385604,0.00743652,0.00276995]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.72
S298 (cal/mol*K) = 1.39
G298 (kcal/mol) = 26.31

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(168); C7H10(18)(+M)=>C7H10(168)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.228e+01 -9.163e-02 -2.466e-01 1.851e-04 / CHEB/ 1.353e+01 9.626e-01 -6.957e-02 -4.246e-02 / CHEB/ -5.464e-01 4.384e-01 3.795e-02 -8.177e-03 / CHEB/ -2.997e-01 1.139e-01 4.794e-02 1.948e-03 / CHEB/ -2.596e-02 1.161e-02 3.033e-02 3.538e-03 / CHEB/ -4.484e-02 3.856e-03 7.437e-03 2.770e-03 /

813.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-3.1	-0.8	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-3.1	-0.5	+0.3

Chebyshev(coeffs=[[-11.7572,-0.203649,-0.196254,0.00101552],[12.0215,0.915894,-0.125943,-0.0323267],[-0.142633,0.443848,0.0297041,-0.0193899],[-0.332686,0.135076,0.0484122,0.00464402],[-0.212996,0.0268269,0.0296733,0.00647906],[-0.0777983,0.00826136,0.00797419,0.00129008]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.54
S298 (cal/mol*K) = -8.29
G298 (kcal/mol) = 21.01

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(169); C7H10(18)(+M)=>C7H10(169)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.176e+01 -2.036e-01 -1.963e-01 1.016e-03 / CHEB/ 1.202e+01 9.159e-01 -1.259e-01 -3.233e-02 / CHEB/ -1.426e-01 4.438e-01 2.970e-02 -1.939e-02 / CHEB/ -3.327e-01 1.351e-01 4.841e-02 4.644e-03 / CHEB/ -2.130e-01 2.683e-02 2.967e-02 6.479e-03 / CHEB/ -7.780e-02 8.261e-03 7.974e-03 1.290e-03 /

814.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.9	-2.5	-0.0	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-2.5	+0.4	+1.3

Chebyshev(coeffs=[[-12.3845,-0.102269,-0.245858,0.000676113],[13.7566,0.949722,-0.0717692,-0.0423137],[-0.329543,0.433748,0.0366388,-0.00827456],[-0.352758,0.115693,0.0469613,0.00192251],[-0.207331,0.015374,0.0297678,0.00338812],[-0.0726025,0.00568374,0.00752281,0.00264486]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.32
S298 (cal/mol*K) = 2.12
G298 (kcal/mol) = 25.69

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(170); C7H10(18)(+M)=>C7H10(170)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.238e+01 -1.023e-01 -2.459e-01 6.761e-04 / CHEB/ 1.376e+01 9.497e-01 -7.177e-02 -4.231e-02 / CHEB/ -3.295e-01 4.337e-01 3.664e-02 -8.275e-03 / CHEB/ -3.528e-01 1.157e-01 4.696e-02 1.923e-03 / CHEB/ -2.073e-01 1.537e-02 2.977e-02 3.388e-03 / CHEB/ -7.260e-02 5.684e-03 7.523e-03 2.645e-03 /

815.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-2.1	-0.6	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-2.4	-0.4	+0.0

Chebyshev(coeffs=[[-8.24709,-0.338576,-0.152774,-0.0633186],[8.20101,0.661631,-0.126098,0.0727816],[0.0562206,0.439547,-0.0541047,-0.0442446],[-0.323282,0.166391,0.0522693,-0.0173717],[-0.214405,0.0469128,0.0426389,0.0175074],[-0.0762713,0.0159391,0.00642589,0.00864572]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.89
S298 (cal/mol*K) = -6.58
G298 (kcal/mol) = 17.85

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(171); C7H10(18)(+M)=>C7H10(171)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.247e+00 -3.386e-01 -1.528e-01 -6.332e-02 / CHEB/ 8.201e+00 6.616e-01 -1.261e-01 7.278e-02 / CHEB/ 5.622e-02 4.395e-01 -5.410e-02 -4.424e-02 / CHEB/ -3.233e-01 1.664e-01 5.227e-02 -1.737e-02 / CHEB/ -2.144e-01 4.691e-02 4.264e-02 1.751e-02 / CHEB/ -7.627e-02 1.594e-02 6.426e-03 8.646e-03 /

816.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.0	-9.1	-5.9	-4.9
log₁₀(k(10 bar)/[mole,m,s])	-22.3	-8.9	-5.3	-4.1

Chebyshev(coeffs=[[-21.4763,0.204101,-0.300361,-0.0285748],[17.5368,1.04132,0.00206113,-0.0191006],[-0.47139,0.394071,0.0715133,-0.0111674],[-0.342233,0.0479134,0.0569107,0.000445452],[-0.24129,-0.019373,0.0226241,0.00939432],[-0.0361457,-0.0015761,0.0001098,0.00635441]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.64
S298 (cal/mol*K) = -2.79
G298 (kcal/mol) = 48.47

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(172); C7H10(18)(+M)=>C7H10(172)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.148e+01 2.041e-01 -3.004e-01 -2.857e-02 / CHEB/ 1.754e+01 1.041e+00 2.061e-03 -1.910e-02 / CHEB/ -4.714e-01 3.941e-01 7.151e-02 -1.117e-02 / CHEB/ -3.422e-01 4.791e-02 5.691e-02 4.455e-04 / CHEB/ -2.413e-01 -1.937e-02 2.262e-02 9.394e-03 / CHEB/ -3.615e-02 -1.576e-03 1.098e-04 6.354e-03 /

817.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.6	-7.5	-4.5	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-19.9	-7.3	-3.9	-2.8

Chebyshev(coeffs=[[-19.2332,0.113858,-0.291719,-0.0221134],[16.6584,1.01374,-0.0140872,-0.0237408],[-0.528649,0.411034,0.0584399,-0.00904755],[-0.374299,0.0711724,0.0542311,-0.00148117],[-0.190648,-0.00944373,0.0265178,0.00668373],[-0.063206,8.66811e-05,0.00277168,0.00603524]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.82
S298 (cal/mol*K) = -1.31
G298 (kcal/mol) = 39.21

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(173); C7H10(18)(+M)=>C7H10(173)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.923e+01 1.139e-01 -2.917e-01 -2.211e-02 / CHEB/ 1.666e+01 1.014e+00 -1.409e-02 -2.374e-02 / CHEB/ -5.286e-01 4.110e-01 5.844e-02 -9.048e-03 / CHEB/ -3.743e-01 7.117e-02 5.423e-02 -1.481e-03 / CHEB/ -1.906e-01 -9.444e-03 2.652e-02 6.684e-03 / CHEB/ -6.321e-02 8.668e-05 2.772e-03 6.035e-03 /

818.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-4.6	-2.5	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-14.0	-4.7	-2.2	-1.5

Chebyshev(coeffs=[[-12.9559,-0.23551,-0.187547,-0.000464818],[11.4774,0.88138,-0.136312,-0.0269841],[-0.189485,0.435409,0.02338,-0.0223118],[-0.338689,0.137689,0.0474175,0.00401931],[-0.216506,0.0309047,0.0295459,0.00752027],[-0.0779299,0.0103828,0.00808229,0.00146452]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.69
S298 (cal/mol*K) = -6.70
G298 (kcal/mol) = 25.69

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(174); C7H10(18)(+M)=>C7H10(174)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.296e+01 -2.355e-01 -1.875e-01 -4.648e-04 / CHEB/ 1.148e+01 8.814e-01 -1.363e-01 -2.698e-02 / CHEB/ -1.895e-01 4.354e-01 2.338e-02 -2.231e-02 / CHEB/ -3.387e-01 1.377e-01 4.742e-02 4.019e-03 / CHEB/ -2.165e-01 3.090e-02 2.955e-02 7.520e-03 / CHEB/ -7.793e-02 1.038e-02 8.082e-03 1.465e-03 /

819.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.1	-7.9	-4.9	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-20.5	-7.7	-4.4	-3.3

Chebyshev(coeffs=[[-19.811,0.141051,-0.295073,-0.0244665],[16.841,1.01957,-0.00912144,-0.0217168],[-0.582946,0.406092,0.0619645,-0.00986452],[-0.385519,0.0647042,0.055036,-0.00115403],[-0.191498,-0.0123713,0.025542,0.00749018],[-0.0632239,-0.000260889,0.00200488,0.00620503]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.99
S298 (cal/mol*K) = -1.08
G298 (kcal/mol) = 45.31

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(175); C7H10(18)(+M)=>C7H10(175)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.981e+01 1.411e-01 -2.951e-01 -2.447e-02 / CHEB/ 1.684e+01 1.020e+00 -9.121e-03 -2.172e-02 / CHEB/ -5.829e-01 4.061e-01 6.196e-02 -9.865e-03 / CHEB/ -3.855e-01 6.470e-02 5.504e-02 -1.154e-03 / CHEB/ -1.915e-01 -1.237e-02 2.554e-02 7.490e-03 / CHEB/ -6.322e-02 -2.609e-04 2.005e-03 6.205e-03 /

820.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.1	-6.8	-4.1	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-18.5	-6.7	-3.6	-2.6

Chebyshev(coeffs=[[-17.7008,0.0117666,-0.275463,-0.0114244],[15.2646,0.98763,-0.0358597,-0.0333725],[-0.461031,0.425283,0.0467111,-0.00671273],[-0.371907,0.0938291,0.0505673,-0.000994073],[-0.201045,0.00215127,0.0289913,0.00413859],[-0.0683388,0.00223009,0.00541701,0.00474913]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.82
S298 (cal/mol*K) = -1.31
G298 (kcal/mol) = 39.21

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(176); C7H10(18)(+M)=>C7H10(176)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.770e+01 1.177e-02 -2.755e-01 -1.142e-02 / CHEB/ 1.526e+01 9.876e-01 -3.586e-02 -3.337e-02 / CHEB/ -4.610e-01 4.253e-01 4.671e-02 -6.713e-03 / CHEB/ -3.719e-01 9.383e-02 5.057e-02 -9.941e-04 / CHEB/ -2.010e-01 2.151e-03 2.899e-02 4.139e-03 / CHEB/ -6.834e-02 2.230e-03 5.417e-03 4.749e-03 /

821.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.7	-8.9	-5.7	-4.7
log₁₀(k(10 bar)/[mole,m,s])	-22.0	-8.6	-5.1	-3.9

Chebyshev(coeffs=[[-21.3146,0.191254,-0.300609,-0.028103],[17.674,1.02914,-0.000322991,-0.0189202],[-0.567668,0.395602,0.0688163,-0.0112929],[-0.372224,0.0523898,0.0561661,-4.88023e-05],[-0.181947,-0.0174871,0.0233943,0.00899175],[-0.0594422,-0.000636606,0.000580688,0.00630485]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.64
S298 (cal/mol*K) = -2.79
G298 (kcal/mol) = 48.47

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(177); C7H10(18)(+M)=>C7H10(177)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.131e+01 1.913e-01 -3.006e-01 -2.810e-02 / CHEB/ 1.767e+01 1.029e+00 -3.230e-04 -1.892e-02 / CHEB/ -5.677e-01 3.956e-01 6.882e-02 -1.129e-02 / CHEB/ -3.722e-01 5.239e-02 5.617e-02 -4.880e-05 / CHEB/ -1.819e-01 -1.749e-02 2.339e-02 8.992e-03 / CHEB/ -5.944e-02 -6.366e-04 5.807e-04 6.305e-03 /

822.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.0	-6.6	-3.7	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-18.4	-6.5	-3.3	-2.2

Chebyshev(coeffs=[[-17.6345,0.0294807,-0.278819,-0.0134273],[15.5949,0.992618,-0.0315679,-0.0315843],[-0.455764,0.423294,0.048551,-0.00696253],[-0.367299,0.0901031,0.0512329,-0.00126081],[-0.19756,9.91887e-05,0.0286949,0.00449312],[-0.0668302,0.00178074,0.00499525,0.00503455]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.02
S298 (cal/mol*K) = -1.73
G298 (kcal/mol) = 41.54

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(178); C7H10(18)(+M)=>C7H10(178)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.763e+01 2.948e-02 -2.788e-01 -1.343e-02 / CHEB/ 1.559e+01 9.926e-01 -3.157e-02 -3.158e-02 / CHEB/ -4.558e-01 4.233e-01 4.855e-02 -6.963e-03 / CHEB/ -3.673e-01 9.010e-02 5.123e-02 -1.261e-03 / CHEB/ -1.976e-01 9.919e-05 2.869e-02 4.493e-03 / CHEB/ -6.683e-02 1.781e-03 4.995e-03 5.035e-03 /

823.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.1	-7.9	-4.9	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-20.5	-7.7	-4.4	-3.3

H298 (kcal/mol) = 44.99
S298 (cal/mol*K) = -1.08
G298 (kcal/mol) = 45.31

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(179); C7H10(18)(+M)=>C7H10(179)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.981e+01 1.411e-01 -2.951e-01 -2.447e-02 / CHEB/ 1.684e+01 1.020e+00 -9.121e-03 -2.172e-02 / CHEB/ -5.829e-01 4.061e-01 6.196e-02 -9.865e-03 / CHEB/ -3.855e-01 6.470e-02 5.504e-02 -1.154e-03 / CHEB/ -1.915e-01 -1.237e-02 2.554e-02 7.490e-03 / CHEB/ -6.322e-02 -2.609e-04 2.005e-03 6.205e-03 /

824.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.7	-6.6	-3.9	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-18.1	-6.5	-3.4	-2.4

Chebyshev(coeffs=[[-17.2599,-0.0140176,-0.270066,-0.00847984],[15.0088,0.979982,-0.0426286,-0.0359222],[-0.417047,0.427851,0.0441756,-0.0065376],[-0.363342,0.0990851,0.0496197,-0.000488233],[-0.201063,0.00514001,0.0293325,0.00371743],[-0.0687881,0.00293548,0.00599094,0.00429905]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.02
S298 (cal/mol*K) = -1.73
G298 (kcal/mol) = 41.54

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(180); C7H10(18)(+M)=>C7H10(180)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.726e+01 -1.402e-02 -2.701e-01 -8.480e-03 / CHEB/ 1.501e+01 9.800e-01 -4.263e-02 -3.592e-02 / CHEB/ -4.170e-01 4.279e-01 4.418e-02 -6.538e-03 / CHEB/ -3.633e-01 9.909e-02 4.962e-02 -4.882e-04 / CHEB/ -2.011e-01 5.140e-03 2.933e-02 3.717e-03 / CHEB/ -6.879e-02 2.935e-03 5.991e-03 4.299e-03 /

825.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.5	-2.4	+0.1	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-2.4	+0.5	+1.3

Chebyshev(coeffs=[[-12.0395,-0.120012,-0.239712,0.00204525],[13.4902,0.942701,-0.0789554,-0.0427105],[-0.310628,0.434408,0.0352601,-0.00918917],[-0.350396,0.118794,0.0466201,0.00244019],[-0.208495,0.0174258,0.0297435,0.00357599],[-0.0733138,0.00627656,0.00773721,0.0023378]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.88
S298 (cal/mol*K) = 4.98
G298 (kcal/mol) = 37.40

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(181); C7H10(18)(+M)=>C7H10(181)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.204e+01 -1.200e-01 -2.397e-01 2.045e-03 / CHEB/ 1.349e+01 9.427e-01 -7.896e-02 -4.271e-02 / CHEB/ -3.106e-01 4.344e-01 3.526e-02 -9.189e-03 / CHEB/ -3.504e-01 1.188e-01 4.662e-02 2.440e-03 / CHEB/ -2.085e-01 1.743e-02 2.974e-02 3.576e-03 / CHEB/ -7.331e-02 6.277e-03 7.737e-03 2.338e-03 /

826.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.8	-2.3	+1.1	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-2.0	+1.7	+3.0

Chebyshev(coeffs=[[-15.3141,0.262222,-0.306697,-0.0315475],[18.5246,1.04468,0.0124381,-0.0173603],[-0.533762,0.377756,0.0796482,-0.0124488],[-0.386182,0.0346042,0.0570097,0.00251226],[-0.226673,-0.0226718,0.0194348,0.0108976],[-0.0612212,-0.000395016,-0.00147299,0.00596274]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.73
S298 (cal/mol*K) = 12.63
G298 (kcal/mol) = 35.96

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(182); C7H10(18)(+M)=>C7H10(182)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.531e+01 2.622e-01 -3.067e-01 -3.155e-02 / CHEB/ 1.852e+01 1.045e+00 1.244e-02 -1.736e-02 / CHEB/ -5.338e-01 3.778e-01 7.965e-02 -1.245e-02 / CHEB/ -3.862e-01 3.460e-02 5.701e-02 2.512e-03 / CHEB/ -2.267e-01 -2.267e-02 1.943e-02 1.090e-02 / CHEB/ -6.122e-02 -3.950e-04 -1.473e-03 5.963e-03 /

827.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.8	-2.3	+1.1	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-2.0	+1.7	+3.0

H298 (kcal/mol) = 39.73
S298 (cal/mol*K) = 11.25
G298 (kcal/mol) = 36.37

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(183); C7H10(18)(+M)=>C7H10(183)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.531e+01 2.622e-01 -3.067e-01 -3.155e-02 / CHEB/ 1.852e+01 1.045e+00 1.244e-02 -1.736e-02 / CHEB/ -5.338e-01 3.778e-01 7.965e-02 -1.245e-02 / CHEB/ -3.862e-01 3.460e-02 5.701e-02 2.512e-03 / CHEB/ -2.267e-01 -2.267e-02 1.943e-02 1.090e-02 / CHEB/ -6.122e-02 -3.950e-04 -1.473e-03 5.963e-03 /

828.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	-2.4	+1.0	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-2.1	+1.7	+3.0

Chebyshev(coeffs=[[-15.5224,0.278874,-0.309207,-0.0322352],[18.7512,1.04113,0.0152665,-0.017208],[-0.607353,0.373301,0.0812861,-0.012903],[-0.36806,0.0304148,0.0566324,0.00324405],[-0.172455,-0.0251077,0.0187009,0.0113206],[-0.055832,-0.000388923,-0.00176862,0.00582272]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.85
S298 (cal/mol*K) = 12.25
G298 (kcal/mol) = 37.20

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(184); C7H10(18)(+M)=>C7H10(184)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.552e+01 2.789e-01 -3.092e-01 -3.224e-02 / CHEB/ 1.875e+01 1.041e+00 1.527e-02 -1.721e-02 / CHEB/ -6.074e-01 3.733e-01 8.129e-02 -1.290e-02 / CHEB/ -3.681e-01 3.041e-02 5.663e-02 3.244e-03 / CHEB/ -1.725e-01 -2.511e-02 1.870e-02 1.132e-02 / CHEB/ -5.583e-02 -3.889e-04 -1.769e-03 5.823e-03 /

829.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.1	-6.7	-3.7	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-6.5	-3.1	-2.0

Chebyshev(coeffs=[[-18.7411,0.144852,-0.29552,-0.0247745],[17.004,1.02035,-0.00844325,-0.0214608],[-0.559961,0.405361,0.0624683,-0.00997862],[-0.378056,0.0637842,0.0551393,-0.00109254],[-0.188629,-0.0127765,0.0253954,0.00760408],[-0.0621702,-0.000306008,0.00189837,0.00622255]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.11
S298 (cal/mol*K) = -6.56
G298 (kcal/mol) = 48.07

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(185); C7H10(18)(+M)=>C7H10(185)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.874e+01 1.449e-01 -2.955e-01 -2.477e-02 / CHEB/ 1.700e+01 1.020e+00 -8.443e-03 -2.146e-02 / CHEB/ -5.600e-01 4.054e-01 6.247e-02 -9.979e-03 / CHEB/ -3.781e-01 6.378e-02 5.514e-02 -1.093e-03 / CHEB/ -1.886e-01 -1.278e-02 2.540e-02 7.604e-03 / CHEB/ -6.217e-02 -3.060e-04 1.898e-03 6.223e-03 /

830.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-2.3	-0.8	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-2.5	-0.6	-0.2

Chebyshev(coeffs=[[-8.92311,-0.321652,-0.143689,-0.041518],[8.82528,0.753219,-0.16256,0.0425032],[-0.113707,0.43892,-0.0167163,-0.0449673],[-0.351598,0.155411,0.053166,-0.00567667],[-0.22667,0.0429334,0.0350728,0.0153966],[-0.0814613,0.0145427,0.00640537,0.00500333]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.99
S298 (cal/mol*K) = -15.77
G298 (kcal/mol) = 27.69

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(186); C7H10(18)(+M)=>C7H10(186)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.923e+00 -3.217e-01 -1.437e-01 -4.152e-02 / CHEB/ 8.825e+00 7.532e-01 -1.626e-01 4.250e-02 / CHEB/ -1.137e-01 4.389e-01 -1.672e-02 -4.497e-02 / CHEB/ -3.516e-01 1.554e-01 5.317e-02 -5.677e-03 / CHEB/ -2.267e-01 4.293e-02 3.507e-02 1.540e-02 / CHEB/ -8.146e-02 1.454e-02 6.405e-03 5.003e-03 /

831.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.4	-2.4	+0.8	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-13.8	-1.6	+1.7	+2.8

Chebyshev(coeffs=[[-14.2964,1.42421,-0.321583,-0.11506],[17.2678,0.382574,0.192689,0.0496506],[-0.694363,0.0298225,0.0205242,0.0103769],[-0.244808,-0.0224724,-0.00839912,0.000561768],[-0.136509,0.0082191,0.00577975,0.00338131],[-0.0731271,0.0157817,0.00888626,0.00337676]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.76
S298 (cal/mol*K) = 24.62
G298 (kcal/mol) = 53.42

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C3H5(129); C7H10(18), C4H5(156); C7H10(18)(+M)=>C3H5(129)+C4H5(156)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.430e+01 1.424e+00 -3.216e-01 -1.151e-01 / CHEB/ 1.727e+01 3.826e-01 1.927e-01 4.965e-02 / CHEB/ -6.944e-01 2.982e-02 2.052e-02 1.038e-02 / CHEB/ -2.448e-01 -2.247e-02 -8.399e-03 5.618e-04 / CHEB/ -1.365e-01 8.219e-03 5.780e-03 3.381e-03 / CHEB/ -7.313e-02 1.578e-02 8.886e-03 3.377e-03 /

832.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.9	-6.2	-1.9	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-20.1	-5.3	-1.0	+0.7

Chebyshev(coeffs=[[-20.298,1.54879,-0.266536,-0.107882],[20.8964,0.291793,0.159784,0.0527292],[-0.518867,0.0260542,0.0166521,0.00780086],[-0.20298,-0.0163052,-0.006519,0.000131875],[-0.128319,0.00936382,0.00613217,0.00314709],[-0.0723404,0.0129484,0.00766651,0.00318174]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.58
S298 (cal/mol*K) = 14.98
G298 (kcal/mol) = 66.11

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(187); C7H10(18)(+M)=>H(25)+C7H9(187)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.030e+01 1.549e+00 -2.665e-01 -1.079e-01 / CHEB/ 2.090e+01 2.918e-01 1.598e-01 5.273e-02 / CHEB/ -5.189e-01 2.605e-02 1.665e-02 7.801e-03 / CHEB/ -2.030e-01 -1.631e-02 -6.519e-03 1.319e-04 / CHEB/ -1.283e-01 9.364e-03 6.132e-03 3.147e-03 / CHEB/ -7.234e-02 1.295e-02 7.667e-03 3.182e-03 /

833.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.6	-3.7	-0.1	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-2.9	+0.7	+2.2

Chebyshev(coeffs=[[-15.307,1.33896,-0.353532,-0.114879],[17.1709,0.446717,0.210688,0.0435272],[-0.396626,0.0347941,0.024499,0.0121331],[-0.154293,-0.0269035,-0.00929697,0.00120043],[-0.103229,0.00676747,0.00530887,0.00359761],[-0.059343,0.0170763,0.00927141,0.00335109]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.48
S298 (cal/mol*K) = 7.42
G298 (kcal/mol) = 55.26

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(188); C7H10(18)(+M)=>H(25)+C7H9(188)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.531e+01 1.339e+00 -3.535e-01 -1.149e-01 / CHEB/ 1.717e+01 4.467e-01 2.107e-01 4.353e-02 / CHEB/ -3.966e-01 3.479e-02 2.450e-02 1.213e-02 / CHEB/ -1.543e-01 -2.690e-02 -9.297e-03 1.200e-03 / CHEB/ -1.032e-01 6.767e-03 5.309e-03 3.598e-03 / CHEB/ -5.934e-02 1.708e-02 9.271e-03 3.351e-03 /

834.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.4	-7.7	-2.8	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-23.6	-6.8	-1.8	+0.2

Chebyshev(coeffs=[[-23.6398,1.63439,-0.223126,-0.0967939],[23.7882,0.233579,0.134191,0.0502247],[-0.532606,0.0262869,0.015942,0.00678805],[-0.21774,-0.01288,-0.00527734,5.25545e-05],[-0.137179,0.00880093,0.00571697,0.0028648],[-0.0758152,0.0101327,0.00618392,0.00272086]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.08
S298 (cal/mol*K) = 15.62
G298 (kcal/mol) = 75.42

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(189); C7H10(18)(+M)=>H(25)+C7H9(189)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.364e+01 1.634e+00 -2.231e-01 -9.679e-02 / CHEB/ 2.379e+01 2.336e-01 1.342e-01 5.022e-02 / CHEB/ -5.326e-01 2.629e-02 1.594e-02 6.788e-03 / CHEB/ -2.177e-01 -1.288e-02 -5.277e-03 5.255e-05 / CHEB/ -1.372e-01 8.801e-03 5.717e-03 2.865e-03 / CHEB/ -7.582e-02 1.013e-02 6.184e-03 2.721e-03 /

835.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.8	-6.0	-1.9	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-19.1	-5.2	-1.0	+0.8

Chebyshev(coeffs=[[-19.2778,1.49711,-0.29024,-0.111683],[19.7249,0.335395,0.177422,0.053108],[-0.408236,0.0267222,0.0179762,0.00903717],[-0.12759,-0.0195179,-0.00771609,0.000157483],[-0.100344,0.00876557,0.00584437,0.00313488],[-0.04545,0.013789,0.00802764,0.00323686]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.28
S298 (cal/mol*K) = 7.30
G298 (kcal/mol) = 63.10

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(190); C7H10(18)(+M)=>H(25)+C7H9(190)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.928e+01 1.497e+00 -2.902e-01 -1.117e-01 / CHEB/ 1.972e+01 3.354e-01 1.774e-01 5.311e-02 / CHEB/ -4.082e-01 2.672e-02 1.798e-02 9.037e-03 / CHEB/ -1.276e-01 -1.952e-02 -7.716e-03 1.575e-04 / CHEB/ -1.003e-01 8.766e-03 5.844e-03 3.135e-03 / CHEB/ -4.545e-02 1.379e-02 8.028e-03 3.237e-03 /

836.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.2	-9.9	-4.6	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-27.3	-9.0	-3.6	-1.4

Chebyshev(coeffs=[[-27.2283,1.67653,-0.200208,-0.0894222],[25.8323,0.207329,0.121612,0.0478992],[-0.530802,0.0268638,0.016107,0.00668623],[-0.224571,-0.011742,-0.00491161,-4.07006e-05],[-0.140815,0.00785702,0.00512712,0.00258433],[-0.0765704,0.00843231,0.00520698,0.00234417]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.58
S298 (cal/mol*K) = 12.92
G298 (kcal/mol) = 82.72

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(191); C7H10(18)(+M)=>H(25)+C7H9(191)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.723e+01 1.677e+00 -2.002e-01 -8.942e-02 / CHEB/ 2.583e+01 2.073e-01 1.216e-01 4.790e-02 / CHEB/ -5.308e-01 2.686e-02 1.611e-02 6.686e-03 / CHEB/ -2.246e-01 -1.174e-02 -4.912e-03 -4.070e-05 / CHEB/ -1.408e-01 7.857e-03 5.127e-03 2.584e-03 / CHEB/ -7.657e-02 8.432e-03 5.207e-03 2.344e-03 /

837.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.2	-9.9	-4.6	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-27.3	-9.0	-3.6	-1.4

H298 (kcal/mol) = 86.58
S298 (cal/mol*K) = 12.92
G298 (kcal/mol) = 82.72

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(192); C7H10(18)(+M)=>H(25)+C7H9(192)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.723e+01 1.677e+00 -2.002e-01 -8.942e-02 / CHEB/ 2.583e+01 2.073e-01 1.216e-01 4.790e-02 / CHEB/ -5.308e-01 2.686e-02 1.611e-02 6.686e-03 / CHEB/ -2.246e-01 -1.174e-02 -4.912e-03 -4.070e-05 / CHEB/ -1.408e-01 7.857e-03 5.127e-03 2.584e-03 / CHEB/ -7.657e-02 8.432e-03 5.207e-03 2.344e-03 /

838.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.7	-5.7	-1.1	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-21.0	-4.8	-0.2	+1.6

Chebyshev(coeffs=[[-21.1281,1.6248,-0.228203,-0.0982968],[22.8532,0.239845,0.137107,0.0506769],[-0.651056,0.026158,0.0159338,0.00684729],[-0.251333,-0.0132055,-0.00539472,6.264e-05],[-0.147879,0.00894399,0.005808,0.00291097],[-0.0796329,0.0104922,0.0063834,0.0027916]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.08
S298 (cal/mol*K) = 24.35
G298 (kcal/mol) = 68.82

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), CH2(137); C7H10(18), C6H8(193); C7H10(18)(+M)=>CH2(137)+C6H8(193)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.113e+01 1.625e+00 -2.282e-01 -9.830e-02 / CHEB/ 2.285e+01 2.398e-01 1.371e-01 5.068e-02 / CHEB/ -6.511e-01 2.616e-02 1.593e-02 6.847e-03 / CHEB/ -2.513e-01 -1.321e-02 -5.395e-03 6.264e-05 / CHEB/ -1.479e-01 8.944e-03 5.808e-03 2.911e-03 / CHEB/ -7.963e-02 1.049e-02 6.383e-03 2.792e-03 /

839.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	+0.2	+2.3	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-7.5	+0.8	+3.1	+3.9

Chebyshev(coeffs=[[-7.757,0.79453,-0.446816,-0.0723153],[11.3436,0.852042,0.217331,-0.0174452],[-0.387932,0.101709,0.0564921,0.0105978],[-0.157283,-0.0502004,-0.00159454,0.00679699],[-0.0904636,-0.00772859,0.00395275,0.0069266],[-0.0410539,0.0188375,0.00759626,0.00356588]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.00
S298 (cal/mol*K) = -5.86
G298 (kcal/mol) = 33.75

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(194); C7H10(18)(+M)=>C7H10(194)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.757e+00 7.945e-01 -4.468e-01 -7.232e-02 / CHEB/ 1.134e+01 8.520e-01 2.173e-01 -1.745e-02 / CHEB/ -3.879e-01 1.017e-01 5.649e-02 1.060e-02 / CHEB/ -1.573e-01 -5.020e-02 -1.595e-03 6.797e-03 / CHEB/ -9.046e-02 -7.729e-03 3.953e-03 6.927e-03 / CHEB/ -4.105e-02 1.884e-02 7.596e-03 3.566e-03 /

840.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	+0.3	+2.5	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-7.5	+0.9	+3.2	+4.1

Chebyshev(coeffs=[[-7.76297,0.80006,-0.446858,-0.0727888],[11.4989,0.847682,0.218149,-0.0169469],[-0.364002,0.101053,0.0562544,0.0107071],[-0.14957,-0.0499735,-0.00177917,0.00676871],[-0.0881505,-0.00753977,0.00391423,0.00688363],[-0.0402438,0.0187725,0.00763893,0.00355892]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.40
S298 (cal/mol*K) = -5.21
G298 (kcal/mol) = 33.95

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(195); C7H10(18)(+M)=>C7H10(195)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.763e+00 8.001e-01 -4.469e-01 -7.279e-02 / CHEB/ 1.150e+01 8.477e-01 2.181e-01 -1.695e-02 / CHEB/ -3.640e-01 1.011e-01 5.625e-02 1.071e-02 / CHEB/ -1.496e-01 -4.997e-02 -1.779e-03 6.769e-03 / CHEB/ -8.815e-02 -7.540e-03 3.914e-03 6.884e-03 / CHEB/ -4.024e-02 1.877e-02 7.639e-03 3.559e-03 /

841.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-1.2	+1.7	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-0.4	+2.5	+3.7

Chebyshev(coeffs=[[-11.0387,1.11029,-0.415918,-0.101518],[14.3915,0.619114,0.236302,0.0182219],[-0.365825,0.0568954,0.0382674,0.0144655],[-0.142996,-0.0381827,-0.00907082,0.00382191],[-0.0924651,0.00130008,0.00397963,0.00465088],[-0.0497574,0.0189168,0.00918606,0.00318843]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.00
S298 (cal/mol*K) = -5.86
G298 (kcal/mol) = 33.75

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(196); C7H10(18)(+M)=>C7H10(196)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.104e+01 1.110e+00 -4.159e-01 -1.015e-01 / CHEB/ 1.439e+01 6.191e-01 2.363e-01 1.822e-02 / CHEB/ -3.658e-01 5.690e-02 3.827e-02 1.447e-02 / CHEB/ -1.430e-01 -3.818e-02 -9.071e-03 3.822e-03 / CHEB/ -9.247e-02 1.300e-03 3.980e-03 4.651e-03 / CHEB/ -4.976e-02 1.892e-02 9.186e-03 3.188e-03 /

842.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-1.4	+1.4	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-0.7	+2.2	+3.6

Chebyshev(coeffs=[[-11.0089,1.11891,-0.413446,-0.101766],[14.2334,0.619178,0.238016,0.0192926],[-0.550124,0.0573716,0.0385584,0.0146923],[-0.0925769,-0.0390409,-0.00950243,0.00381458],[0.0721879,-0.000438809,0.00331637,0.00462028],[-0.0276179,0.018473,0.00899383,0.00314713]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.40
S298 (cal/mol*K) = -5.21
G298 (kcal/mol) = 33.95

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(197); C7H10(18)(+M)=>C7H10(197)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.101e+01 1.119e+00 -4.134e-01 -1.018e-01 / CHEB/ 1.423e+01 6.192e-01 2.380e-01 1.929e-02 / CHEB/ -5.501e-01 5.737e-02 3.856e-02 1.469e-02 / CHEB/ -9.258e-02 -3.904e-02 -9.502e-03 3.815e-03 / CHEB/ 7.219e-02 -4.388e-04 3.316e-03 4.620e-03 / CHEB/ -2.762e-02 1.847e-02 8.994e-03 3.147e-03 /

843.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-1.2	+1.7	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-0.4	+2.5	+3.7

H298 (kcal/mol) = 32.00
S298 (cal/mol*K) = -4.48
G298 (kcal/mol) = 33.34

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(198); C7H10(18)(+M)=>C7H10(198)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.104e+01 1.110e+00 -4.159e-01 -1.015e-01 / CHEB/ 1.439e+01 6.191e-01 2.363e-01 1.822e-02 / CHEB/ -3.658e-01 5.690e-02 3.827e-02 1.447e-02 / CHEB/ -1.430e-01 -3.818e-02 -9.071e-03 3.822e-03 / CHEB/ -9.247e-02 1.300e-03 3.980e-03 4.651e-03 / CHEB/ -4.976e-02 1.892e-02 9.186e-03 3.188e-03 /

844.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-0.8	+1.1	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-7.9	-0.2	+1.9	+2.6

Chebyshev(coeffs=[[-8.11191,0.661253,-0.443346,-0.0627403],[10.3693,0.946132,0.194251,-0.0259631],[-0.369149,0.12518,0.0613071,0.00663998],[-0.157785,-0.0535267,0.00356167,0.00682807],[-0.088486,-0.01172,0.00509436,0.0079385],[-0.0369422,0.0180953,0.00683552,0.00409563]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.00
S298 (cal/mol*K) = -5.86
G298 (kcal/mol) = 33.75

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(199); C7H10(18)(+M)=>C7H10(199)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.112e+00 6.613e-01 -4.433e-01 -6.274e-02 / CHEB/ 1.037e+01 9.461e-01 1.943e-01 -2.596e-02 / CHEB/ -3.691e-01 1.252e-01 6.131e-02 6.640e-03 / CHEB/ -1.578e-01 -5.353e-02 3.562e-03 6.828e-03 / CHEB/ -8.849e-02 -1.172e-02 5.094e-03 7.938e-03 / CHEB/ -3.694e-02 1.810e-02 6.836e-03 4.096e-03 /

845.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-2.4	+0.2	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-1.7	+1.0	+2.0

Chebyshev(coeffs=[[-11.4347,0.991811,-0.434735,-0.0907113],[13.0943,0.707271,0.236053,0.00360484],[-0.386962,0.072306,0.0458068,0.0139371],[-0.150409,-0.0432617,-0.00719249,0.00522687],[-0.0921222,-0.00203324,0.00360152,0.00544214],[-0.0466373,0.019179,0.00870526,0.00321066]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.50
S298 (cal/mol*K) = -5.21
G298 (kcal/mol) = 43.05

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(200); C7H10(18)(+M)=>C7H10(200)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.143e+01 9.918e-01 -4.347e-01 -9.071e-02 / CHEB/ 1.309e+01 7.073e-01 2.361e-01 3.605e-03 / CHEB/ -3.870e-01 7.231e-02 4.581e-02 1.394e-02 / CHEB/ -1.504e-01 -4.326e-02 -7.192e-03 5.227e-03 / CHEB/ -9.212e-02 -2.033e-03 3.602e-03 5.442e-03 / CHEB/ -4.664e-02 1.918e-02 8.705e-03 3.211e-03 /

846.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.6	-2.6	-0.1	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-1.9	+0.7	+1.7

Chebyshev(coeffs=[[-11.6054,0.991811,-0.434735,-0.0907113],[13.0276,0.707271,0.236053,0.00360484],[-0.401702,0.072306,0.0458068,0.0139371],[-0.154749,-0.0432617,-0.00719249,0.00522687],[-0.093559,-0.00203324,0.00360152,0.00544214],[-0.0471435,0.019179,0.00870526,0.00321066]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.50
S298 (cal/mol*K) = -5.21
G298 (kcal/mol) = 43.05

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(201); C7H10(18)(+M)=>C7H10(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.161e+01 9.918e-01 -4.347e-01 -9.071e-02 / CHEB/ 1.303e+01 7.073e-01 2.361e-01 3.605e-03 / CHEB/ -4.017e-01 7.231e-02 4.581e-02 1.394e-02 / CHEB/ -1.547e-01 -4.326e-02 -7.192e-03 5.227e-03 / CHEB/ -9.356e-02 -2.033e-03 3.602e-03 5.442e-03 / CHEB/ -4.714e-02 1.918e-02 8.705e-03 3.211e-03 /

847.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	+0.6	+2.8	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-7.0	+1.2	+3.5	+4.4

Chebyshev(coeffs=[[-7.16059,0.71967,-0.445882,-0.0664726],[11.1263,0.905444,0.205222,-0.0229901],[-0.302486,0.114436,0.0595031,0.00853066],[-0.135435,-0.052232,0.00119306,0.00695026],[-0.0819694,-0.00994978,0.0044908,0.00750311],[-0.0361543,0.0184731,0.0071573,0.00383087]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.00
S298 (cal/mol*K) = -3.27
G298 (kcal/mol) = 34.97

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(202); C7H10(18)(+M)=>C7H10(202)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.161e+00 7.197e-01 -4.459e-01 -6.647e-02 / CHEB/ 1.113e+01 9.054e-01 2.052e-01 -2.299e-02 / CHEB/ -3.025e-01 1.144e-01 5.950e-02 8.531e-03 / CHEB/ -1.354e-01 -5.223e-02 1.193e-03 6.950e-03 / CHEB/ -8.197e-02 -9.950e-03 4.491e-03 7.503e-03 / CHEB/ -3.615e-02 1.847e-02 7.157e-03 3.831e-03 /

848.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-1.0	+1.8	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-0.3	+2.6	+3.8

Chebyshev(coeffs=[[-10.6471,1.0797,-0.421639,-0.0988589],[14.0825,0.642136,0.237117,0.0144078],[-0.361728,0.0604377,0.0402218,0.0144709],[-0.142334,-0.0395095,-0.00870309,0.00419303],[-0.0915907,0.000567062,0.0038585,0.00482847],[-0.0484598,0.0189494,0.00907816,0.00319236]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.56
S298 (cal/mol*K) = -1.62
G298 (kcal/mol) = 45.04

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(203); C7H10(18)(+M)=>C7H10(203)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.065e+01 1.080e+00 -4.216e-01 -9.886e-02 / CHEB/ 1.408e+01 6.421e-01 2.371e-01 1.441e-02 / CHEB/ -3.617e-01 6.044e-02 4.022e-02 1.447e-02 / CHEB/ -1.423e-01 -3.951e-02 -8.703e-03 4.193e-03 / CHEB/ -9.159e-02 5.671e-04 3.858e-03 4.828e-03 / CHEB/ -4.846e-02 1.895e-02 9.078e-03 3.192e-03 /

849.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-1.2	+2.9	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-0.4	+3.8	+5.5

Chebyshev(coeffs=[[-14.6043,1.48779,-0.294546,-0.112432],[19.8168,0.338703,0.178168,0.0524547],[-0.350134,0.0261996,0.017791,0.00904204],[-0.18452,-0.0191437,-0.00744827,0.000281134],[-0.168073,0.00971384,0.00637047,0.00331835],[-0.0716117,0.0144348,0.00835541,0.00332679]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 45.41
S298 (cal/mol*K) = 6.03
G298 (kcal/mol) = 43.61

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(204); C7H10(18)(+M)=>C7H10(204)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.460e+01 1.488e+00 -2.945e-01 -1.124e-01 / CHEB/ 1.982e+01 3.387e-01 1.782e-01 5.245e-02 / CHEB/ -3.501e-01 2.620e-02 1.779e-02 9.042e-03 / CHEB/ -1.845e-01 -1.914e-02 -7.448e-03 2.811e-04 / CHEB/ -1.681e-01 9.714e-03 6.370e-03 3.318e-03 / CHEB/ -7.161e-02 1.443e-02 8.355e-03 3.327e-03 /

850.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-1.2	+2.9	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-0.4	+3.8	+5.5

H298 (kcal/mol) = 45.41
S298 (cal/mol*K) = 4.65
G298 (kcal/mol) = 44.02

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(205); C7H10(18)(+M)=>C7H10(205)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.460e+01 1.488e+00 -2.945e-01 -1.124e-01 / CHEB/ 1.982e+01 3.387e-01 1.782e-01 5.245e-02 / CHEB/ -3.501e-01 2.620e-02 1.779e-02 9.042e-03 / CHEB/ -1.845e-01 -1.914e-02 -7.448e-03 2.811e-04 / CHEB/ -1.681e-01 9.714e-03 6.370e-03 3.318e-03 / CHEB/ -7.161e-02 1.443e-02 8.355e-03 3.327e-03 /

851.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.1	+6.0	+5.6	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+6.1	+6.3	+6.1	+5.9

Chebyshev(coeffs=[[11.7615,0.409734,-0.0887013,0.00429588],[-0.225692,0.672137,-0.119901,-0.00620908],[-0.34885,0.383093,-0.0278636,-0.0190783],[-0.129871,0.13469,0.0269419,-0.015605],[-0.0444195,0.00704927,0.0319541,-0.00387343],[-0.00248203,-0.0234904,0.0141471,0.00383161]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -48.07
S298 (cal/mol*K) = -29.25
G298 (kcal/mol) = -39.35

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(5); H(25), C7H9(5); C7H8(58)+H(25)(+M)=>C7H9(5)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.176e+01 4.097e-01 -8.870e-02 4.296e-03 / CHEB/ -2.257e-01 6.721e-01 -1.199e-01 -6.209e-03 / CHEB/ -3.489e-01 3.831e-01 -2.786e-02 -1.908e-02 / CHEB/ -1.299e-01 1.347e-01 2.694e-02 -1.561e-02 / CHEB/ -4.442e-02 7.049e-03 3.195e-02 -3.873e-03 / CHEB/ -2.482e-03 -2.349e-02 1.415e-02 3.832e-03 /

852.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-1.2	+1.6	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-10.3	-1.4	+1.6	+3.1

Chebyshev(coeffs=[[-3.05039,-0.757924,-0.237694,-0.000701085],[11.9243,0.667047,0.144031,-0.0446397],[0.189643,0.139327,0.0812636,0.0153055],[0.0219116,-0.0473221,0.0081787,0.0189083],[-0.0242298,-0.0498691,-0.0179567,0.00384636],[-0.00460533,-0.0121442,-0.0113051,-0.00429964]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.44
S298 (cal/mol*K) = -1.70
G298 (kcal/mol) = 30.94

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H8(206); H(25), H(25); C7H8(58)+H(25)(+M)=>H(25)+C7H8(206)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.050e+00 -7.579e-01 -2.377e-01 -7.011e-04 / CHEB/ 1.192e+01 6.670e-01 1.440e-01 -4.464e-02 / CHEB/ 1.896e-01 1.393e-01 8.126e-02 1.531e-02 / CHEB/ 2.191e-02 -4.732e-02 8.179e-03 1.891e-02 / CHEB/ -2.423e-02 -4.987e-02 -1.796e-02 3.846e-03 / CHEB/ -4.605e-03 -1.214e-02 -1.131e-02 -4.300e-03 /

853.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-0.1	+2.0	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-0.3	+1.9	+2.9

Chebyshev(coeffs=[[0.228884,-1.00993,-0.205364,0.0218162],[8.5286,0.833761,0.05943,-0.0647016],[0.252694,0.212699,0.0933809,-0.00399469],[0.0011868,-0.0403859,0.0344607,0.0210881],[-0.0441785,-0.0619752,-0.00969456,0.0124209],[-0.0115519,-0.0205944,-0.0151607,-0.000772843]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.07
S298 (cal/mol*K) = -22.01
G298 (kcal/mol) = -8.51

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(207); H(25), C7H9(207); C7H8(58)+H(25)(+M)=>C7H9(207)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.289e-01 -1.010e+00 -2.054e-01 2.182e-02 / CHEB/ 8.529e+00 8.338e-01 5.943e-02 -6.470e-02 / CHEB/ 2.527e-01 2.127e-01 9.338e-02 -3.995e-03 / CHEB/ 1.187e-03 -4.039e-02 3.446e-02 2.109e-02 / CHEB/ -4.418e-02 -6.198e-02 -9.695e-03 1.242e-02 / CHEB/ -1.155e-02 -2.059e-02 -1.516e-02 -7.728e-04 /

854.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	+0.5	+2.4	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-6.3	+0.2	+2.3	+3.3

Chebyshev(coeffs=[[1.10637,-1.05239,-0.195405,0.022702],[7.98566,0.858499,0.0411637,-0.0634443],[0.267358,0.226603,0.0932264,-0.00810107],[-0.00278401,-0.0380907,0.0393258,0.0202007],[-0.0476011,-0.0637624,-0.00737976,0.0137372],[-0.0125602,-0.022129,-0.0154807,0.000155288]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.07
S298 (cal/mol*K) = -22.01
G298 (kcal/mol) = -8.51

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(208); H(25), C7H9(208); C7H8(58)+H(25)(+M)=>C7H9(208)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.106e+00 -1.052e+00 -1.954e-01 2.270e-02 / CHEB/ 7.986e+00 8.585e-01 4.116e-02 -6.344e-02 / CHEB/ 2.674e-01 2.266e-01 9.323e-02 -8.101e-03 / CHEB/ -2.784e-03 -3.809e-02 3.933e-02 2.020e-02 / CHEB/ -4.760e-02 -6.376e-02 -7.380e-03 1.374e-02 / CHEB/ -1.256e-02 -2.213e-02 -1.548e-02 1.553e-04 /

855.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+0.4	+1.8	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-4.7	+0.1	+1.7	+2.3

Chebyshev(coeffs=[[2.90699,-1.26383,-0.128741,0.0104536],[5.0779,0.957998,-0.0573776,-0.0347501],[0.443909,0.313874,0.0767981,-0.0261059],[-0.0237148,-0.0168728,0.0641735,0.00802931],[-0.0595465,-0.0735118,0.00984366,0.017509],[-0.0128958,-0.0323887,-0.0147352,0.00642262]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -38.47
S298 (cal/mol*K) = -29.01
G298 (kcal/mol) = -29.82

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(209); H(25), C7H9(209); C7H8(58)+H(25)(+M)=>C7H9(209)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.907e+00 -1.264e+00 -1.287e-01 1.045e-02 / CHEB/ 5.078e+00 9.580e-01 -5.738e-02 -3.475e-02 / CHEB/ 4.439e-01 3.139e-01 7.680e-02 -2.611e-02 / CHEB/ -2.371e-02 -1.687e-02 6.417e-02 8.029e-03 / CHEB/ -5.955e-02 -7.351e-02 9.844e-03 1.751e-02 / CHEB/ -1.290e-02 -3.239e-02 -1.474e-02 6.423e-03 /

856.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-2.7	+0.3	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-2.8	+0.2	+1.7

Chebyshev(coeffs=[[-4.95829,-0.710732,-0.239788,-0.00743125],[12.5667,0.625851,0.153509,-0.037047],[0.122463,0.129022,0.076553,0.0170364],[0.00976509,-0.0455712,0.00469753,0.0173431],[-0.0262074,-0.046924,-0.0179758,0.0025362],[-0.00561322,-0.0109815,-0.0102909,-0.0044132]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.53
S298 (cal/mol*K) = -5.64
G298 (kcal/mol) = 39.21

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H8(210); H(25), H(25); C7H8(58)+H(25)(+M)=>H(25)+C7H8(210)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.958e+00 -7.107e-01 -2.398e-01 -7.431e-03 / CHEB/ 1.257e+01 6.259e-01 1.535e-01 -3.705e-02 / CHEB/ 1.225e-01 1.290e-01 7.655e-02 1.704e-02 / CHEB/ 9.765e-03 -4.557e-02 4.698e-03 1.734e-02 / CHEB/ -2.621e-02 -4.692e-02 -1.798e-02 2.536e-03 / CHEB/ -5.613e-03 -1.098e-02 -1.029e-02 -4.413e-03 /

857.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.4	-6.1	-1.6	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-19.6	-6.1	-1.6	+0.6

Chebyshev(coeffs=[[-12.4646,-0.363095,-0.181981,-0.0470514],[19.0623,0.348666,0.15802,0.02487],[0.000730597,0.045246,0.0348517,0.019437],[0.0146335,-0.036128,-0.0135721,0.00153977],[-0.00811556,-0.02373,-0.0141437,-0.00533256],[7.35678e-05,-0.0015654,-0.00290251,-0.00291474]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.93
S298 (cal/mol*K) = 1.36
G298 (kcal/mol) = 60.53

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H8(211); H(25), H(25); C7H8(58)+H(25)(+M)=>H(25)+C7H8(211)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.246e+01 -3.631e-01 -1.820e-01 -4.705e-02 / CHEB/ 1.906e+01 3.487e-01 1.580e-01 2.487e-02 / CHEB/ 7.306e-04 4.525e-02 3.485e-02 1.944e-02 / CHEB/ 1.463e-02 -3.613e-02 -1.357e-02 1.540e-03 / CHEB/ -8.116e-03 -2.373e-02 -1.414e-02 -5.333e-03 / CHEB/ 7.357e-05 -1.565e-03 -2.903e-03 -2.915e-03 /

858.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.4	-10.2	-5.6	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-23.7	-10.2	-5.7	-3.4

Chebyshev(coeffs=[[-16.4362,-0.372412,-0.184232,-0.045773],[18.9483,0.362256,0.161689,0.023549],[0.0918852,0.0443027,0.0352335,0.0200413],[0.0367531,-0.0381154,-0.0142331,0.00169565],[-0.00146554,-0.0240528,-0.0144713,-0.00551759],[0.00293071,-0.00126665,-0.0028664,-0.00301752]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.37
S298 (cal/mol*K) = -19.36
G298 (kcal/mol) = 65.14

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H8(212); H(25), H(25); C7H8(58)+H(25)(+M)=>H(25)+C7H8(212)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.644e+01 -3.724e-01 -1.842e-01 -4.577e-02 / CHEB/ 1.895e+01 3.623e-01 1.617e-01 2.355e-02 / CHEB/ 9.189e-02 4.430e-02 3.523e-02 2.004e-02 / CHEB/ 3.675e-02 -3.812e-02 -1.423e-02 1.696e-03 / CHEB/ -1.466e-03 -2.405e-02 -1.447e-02 -5.518e-03 / CHEB/ 2.931e-03 -1.267e-03 -2.866e-03 -3.018e-03 /

859.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.7	+1.3	+2.5	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+0.9	+2.4	+2.9

Chebyshev(coeffs=[[3.75162,-1.25686,-0.137602,0.0130598],[5.02606,0.936635,-0.0520721,-0.0391625],[0.314507,0.309529,0.0747544,-0.0258952],[-0.0508975,-0.013157,0.0621208,0.00806283],[-0.0753739,-0.0702405,0.0101325,0.016975],[-0.0194796,-0.031457,-0.0137492,0.00628814]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.27
S298 (cal/mol*K) = -21.31
G298 (kcal/mol) = -6.92

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(213); H(25), C7H9(213); C7H8(58)+H(25)(+M)=>C7H9(213)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.752e+00 -1.257e+00 -1.376e-01 1.306e-02 / CHEB/ 5.026e+00 9.366e-01 -5.207e-02 -3.916e-02 / CHEB/ 3.145e-01 3.095e-01 7.475e-02 -2.590e-02 / CHEB/ -5.090e-02 -1.316e-02 6.212e-02 8.063e-03 / CHEB/ -7.537e-02 -7.024e-02 1.013e-02 1.697e-02 / CHEB/ -1.948e-02 -3.146e-02 -1.375e-02 6.288e-03 /

860.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-1.9	+1.1	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-2.0	+1.1	+2.6

Chebyshev(coeffs=[[-4.76536,-0.624524,-0.236571,-0.0194245],[13.4496,0.556462,0.166046,-0.0216163],[-0.0346981,0.109866,0.0678971,0.0196836],[-0.0169475,-0.0437263,-0.00132904,0.0141275],[-0.0304124,-0.0424223,-0.0181397,0.000125851],[-0.00820712,-0.00879226,-0.00860762,-0.00458524]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.42
S298 (cal/mol*K) = -9.06
G298 (kcal/mol) = 9.12

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(214); H(25), C7H9(214); C7H8(58)+H(25)(+M)=>C7H9(214)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.765e+00 -6.245e-01 -2.366e-01 -1.942e-02 / CHEB/ 1.345e+01 5.565e-01 1.660e-01 -2.162e-02 / CHEB/ -3.470e-02 1.099e-01 6.790e-02 1.968e-02 / CHEB/ -1.695e-02 -4.373e-02 -1.329e-03 1.413e-02 / CHEB/ -3.041e-02 -4.242e-02 -1.814e-02 1.259e-04 / CHEB/ -8.207e-03 -8.792e-03 -8.608e-03 -4.585e-03 /

861.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.1	-10.9	-6.5	-4.2
log₁₀(k(10 bar)/[mole,m,s])	-24.4	-11.0	-6.5	-4.2

Chebyshev(coeffs=[[-17.1395,-0.375388,-0.185365,-0.0457832],[18.8439,0.363269,0.161608,0.0230622],[0.0671404,0.0457345,0.035864,0.0200742],[0.0297361,-0.0379047,-0.0139452,0.00192335],[-0.00391904,-0.024351,-0.0145352,-0.00543231],[0.00205099,-0.0014553,-0.0029864,-0.00306096]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.37
S298 (cal/mol*K) = -20.74
G298 (kcal/mol) = 65.55

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H8(215); H(25), H(25); C7H8(58)+H(25)(+M)=>H(25)+C7H8(215)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.714e+01 -3.754e-01 -1.854e-01 -4.578e-02 / CHEB/ 1.884e+01 3.633e-01 1.616e-01 2.306e-02 / CHEB/ 6.714e-02 4.573e-02 3.586e-02 2.007e-02 / CHEB/ 2.974e-02 -3.790e-02 -1.395e-02 1.923e-03 / CHEB/ -3.919e-03 -2.435e-02 -1.454e-02 -5.432e-03 / CHEB/ 2.051e-03 -1.455e-03 -2.986e-03 -3.061e-03 /

862.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.9	+4.1	+5.0	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+3.6	+4.9	+5.3

Chebyshev(coeffs=[[7.5387,-1.35354,-0.107041,0.00384884],[3.46515,0.939662,-0.0879335,-0.0227163],[0.426836,0.366783,0.0507121,-0.0279474],[-0.0692113,0.016302,0.0688498,-0.00172295],[-0.0747695,-0.0711406,0.0237516,0.0142728],[-0.0166523,-0.0398577,-0.00898289,0.00938961]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.58
S298 (cal/mol*K) = -40.16
G298 (kcal/mol) = -15.61

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(24); H(25), C7H9(24); C7H8(58)+H(25)(+M)=>C7H9(24)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.539e+00 -1.354e+00 -1.070e-01 3.849e-03 / CHEB/ 3.465e+00 9.397e-01 -8.793e-02 -2.272e-02 / CHEB/ 4.268e-01 3.668e-01 5.071e-02 -2.795e-02 / CHEB/ -6.921e-02 1.630e-02 6.885e-02 -1.723e-03 / CHEB/ -7.477e-02 -7.114e-02 2.375e-02 1.427e-02 / CHEB/ -1.665e-02 -3.986e-02 -8.983e-03 9.390e-03 /

863.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-4.2	-1.5	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-4.4	-1.6	-0.2

Chebyshev(coeffs=[[-5.44221,-0.824424,-0.23303,0.00750633],[11.0021,0.717032,0.126406,-0.0536224],[0.227574,0.156766,0.086698,0.0115138],[0.0236181,-0.047365,0.014317,0.020592],[-0.0268517,-0.0535962,-0.0169298,0.00604631],[-0.00539796,-0.014193,-0.0126431,-0.00377451]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.03
S298 (cal/mol*K) = -41.87
G298 (kcal/mol) = -4.55

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(26); H(25), C7H9(26); C7H8(58)+H(25)(+M)=>C7H9(26)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.442e+00 -8.244e-01 -2.330e-01 7.506e-03 / CHEB/ 1.100e+01 7.170e-01 1.264e-01 -5.362e-02 / CHEB/ 2.276e-01 1.568e-01 8.670e-02 1.151e-02 / CHEB/ 2.362e-02 -4.736e-02 1.432e-02 2.059e-02 / CHEB/ -2.685e-02 -5.360e-02 -1.693e-02 6.046e-03 / CHEB/ -5.398e-03 -1.419e-02 -1.264e-02 -3.775e-03 /

864.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	-1.3	+0.1	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-1.7	+0.0	+0.7

Chebyshev(coeffs=[[0.965079,-1.24272,-0.136168,0.0126448],[5.41543,0.951736,-0.0480532,-0.0387425],[0.41459,0.302399,0.0804101,-0.024972],[-0.0207708,-0.0206394,0.0617672,0.00992828],[-0.059144,-0.0723913,0.00737417,0.01754],[-0.0134489,-0.030883,-0.015138,0.00565736]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.23
S298 (cal/mol*K) = -42.97
G298 (kcal/mol) = -13.42

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(27); H(25), C7H9(27); C7H8(58)+H(25)(+M)=>C7H9(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.651e-01 -1.243e+00 -1.362e-01 1.264e-02 / CHEB/ 5.415e+00 9.517e-01 -4.805e-02 -3.874e-02 / CHEB/ 4.146e-01 3.024e-01 8.041e-02 -2.497e-02 / CHEB/ -2.077e-02 -2.064e-02 6.177e-02 9.928e-03 / CHEB/ -5.914e-02 -7.239e-02 7.374e-03 1.754e-02 / CHEB/ -1.345e-02 -3.088e-02 -1.514e-02 5.657e-03 /

865.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+3.4	+4.2	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-0.7	+3.0	+4.0	+4.3

Chebyshev(coeffs=[[6.68152,-1.31433,-0.120341,0.00761606],[3.61026,0.940588,-0.0758137,-0.0293968],[0.231426,0.338636,0.0623403,-0.0282808],[-0.10621,0.00146455,0.066559,0.00245067],[-0.0923353,-0.0703091,0.0173537,0.0159008],[-0.0240963,-0.0352994,-0.011392,0.00814155]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.51
S298 (cal/mol*K) = -22.96
G298 (kcal/mol) = -2.67

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(45); H(25), C7H9(45); C7H8(58)+H(25)(+M)=>C7H9(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.682e+00 -1.314e+00 -1.203e-01 7.616e-03 / CHEB/ 3.610e+00 9.406e-01 -7.581e-02 -2.940e-02 / CHEB/ 2.314e-01 3.386e-01 6.234e-02 -2.828e-02 / CHEB/ -1.062e-01 1.465e-03 6.656e-02 2.451e-03 / CHEB/ -9.234e-02 -7.031e-02 1.735e-02 1.590e-02 / CHEB/ -2.410e-02 -3.530e-02 -1.139e-02 8.142e-03 /

866.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.3	+3.6	+4.0	+3.9
log₁₀(k(10 bar)/[mole,m,s])	+0.3	+3.0	+3.7	+3.8

Chebyshev(coeffs=[[7.71289,-1.41018,-0.100691,0.00226409],[2.16592,0.894891,-0.100908,-0.0186109],[0.210321,0.391832,0.0292152,-0.0272482],[-0.131208,0.0479804,0.0645438,-0.00758196],[-0.103318,-0.0604189,0.0318171,0.00985827],[-0.0265819,-0.0428548,-0.00232525,0.00985246]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -32.56
S298 (cal/mol*K) = -30.93
G298 (kcal/mol) = -23.35

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(216); H(25), C7H9(216); C7H8(58)+H(25)(+M)=>C7H9(216)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.713e+00 -1.410e+00 -1.007e-01 2.264e-03 / CHEB/ 2.166e+00 8.949e-01 -1.009e-01 -1.861e-02 / CHEB/ 2.103e-01 3.918e-01 2.922e-02 -2.725e-02 / CHEB/ -1.312e-01 4.798e-02 6.454e-02 -7.582e-03 / CHEB/ -1.033e-01 -6.042e-02 3.182e-02 9.858e-03 / CHEB/ -2.658e-02 -4.285e-02 -2.325e-03 9.852e-03 /

867.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+5.8	+6.3	+6.2
log₁₀(k(10 bar)/[mole,m,s])	+2.7	+5.2	+6.0	+6.1

Chebyshev(coeffs=[[10.0925,-1.42819,-0.0968596,0.00179115],[2.05045,0.881703,-0.102451,-0.0170232],[0.24664,0.404108,0.0221393,-0.0261622],[-0.103694,0.061898,0.0624398,-0.00910995],[-0.0955816,-0.05617,0.0345923,0.00817375],[-0.0234036,-0.0448299,0.000317772,0.00978719]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -37.15
S298 (cal/mol*K) = -12.82
G298 (kcal/mol) = -33.33

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(60); H(25), C7H9(60); C7H8(58)+H(25)(+M)=>C7H9(60)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.009e+01 -1.428e+00 -9.686e-02 1.791e-03 / CHEB/ 2.050e+00 8.817e-01 -1.025e-01 -1.702e-02 / CHEB/ 2.466e-01 4.041e-01 2.214e-02 -2.616e-02 / CHEB/ -1.037e-01 6.190e-02 6.244e-02 -9.110e-03 / CHEB/ -9.558e-02 -5.617e-02 3.459e-02 8.174e-03 / CHEB/ -2.340e-02 -4.483e-02 3.178e-04 9.787e-03 /

868.

→

PDepNetwork #7

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+3.7	+4.9	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-1.2	+3.3	+4.7	+5.2

Chebyshev(coeffs=[[6.29087,-1.27097,-0.133177,0.0116981],[4.81834,0.93911,-0.0582906,-0.0366868],[0.291607,0.316256,0.0721861,-0.0266613],[-0.0574408,-0.0101984,0.0634026,0.0067689],[-0.0759425,-0.0704135,0.0117525,0.0168464],[-0.0200662,-0.0323102,-0.0133143,0.00675304]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.74
S298 (cal/mol*K) = -18.67
G298 (kcal/mol) = -24.17

! PDep reaction: PDepNetwork #7 ! Flux pairs: C7H8(58), C7H9(217); H(25), C7H9(217); C7H8(58)+H(25)(+M)=>C7H9(217)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.291e+00 -1.271e+00 -1.332e-01 1.170e-02 / CHEB/ 4.818e+00 9.391e-01 -5.829e-02 -3.669e-02 / CHEB/ 2.916e-01 3.163e-01 7.219e-02 -2.666e-02 / CHEB/ -5.744e-02 -1.020e-02 6.340e-02 6.769e-03 / CHEB/ -7.594e-02 -7.041e-02 1.175e-02 1.685e-02 / CHEB/ -2.007e-02 -3.231e-02 -1.331e-02 6.753e-03 /

869.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.7	+6.5	+6.1	+5.8
log₁₀(k(10 bar)/[mole,m,s])	+6.7	+7.0	+6.8	+6.6

Chebyshev(coeffs=[[12.2484,0.628961,-0.115995,0.00870774],[-0.154708,0.835774,-0.0720614,-0.0251818],[-0.309572,0.315394,0.0360112,-0.0204121],[-0.107902,0.0396711,0.040652,-0.0004563],[-0.0177146,-0.0232571,0.0134326,0.0058314],[-0.00618608,-0.00711848,-0.000643285,0.00245867]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -43.23
S298 (cal/mol*K) = -9.55
G298 (kcal/mol) = -40.38

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(22); H(25), C7H11(22); C7H10(1)+H(25)(+M)=>C7H11(22)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.225e+01 6.290e-01 -1.160e-01 8.708e-03 / CHEB/ -1.547e-01 8.358e-01 -7.206e-02 -2.518e-02 / CHEB/ -3.096e-01 3.154e-01 3.601e-02 -2.041e-02 / CHEB/ -1.079e-01 3.967e-02 4.065e-02 -4.563e-04 / CHEB/ -1.771e-02 -2.326e-02 1.343e-02 5.831e-03 / CHEB/ -6.186e-03 -7.118e-03 -6.433e-04 2.459e-03 /

870.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.4	+6.3	+5.8	+5.4
log₁₀(k(10 bar)/[mole,m,s])	+4.8	+6.7	+6.6	+6.3

Chebyshev(coeffs=[[10.8896,-0.23486,-0.307468,0.0143559],[1.05088,1.74189,0.00790284,-0.0785128],[-0.324132,0.445962,0.140666,-0.0117109],[-0.285756,-0.0170723,0.0667454,0.0183736],[-0.0758293,-0.0824519,0.00861975,0.0139063],[0.0142192,-0.0341673,-0.00820968,0.00478165]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.48
S298 (cal/mol*K) = 15.44
G298 (kcal/mol) = -22.08

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(46); H(25), C7H11(46); C7H10(1)+H(25)(+M)=>C7H11(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.089e+01 -2.349e-01 -3.075e-01 1.436e-02 / CHEB/ 1.051e+00 1.742e+00 7.903e-03 -7.851e-02 / CHEB/ -3.241e-01 4.460e-01 1.407e-01 -1.171e-02 / CHEB/ -2.858e-01 -1.707e-02 6.675e-02 1.837e-02 / CHEB/ -7.583e-02 -8.245e-02 8.620e-03 1.391e-02 / CHEB/ 1.422e-02 -3.417e-02 -8.210e-03 4.782e-03 /

871.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.1	+7.1	+7.6	+7.8
log₁₀(k(10 bar)/[mole,m,s])	+3.6	+6.6	+7.4	+7.7

Chebyshev(coeffs=[[10.9975,-1.94971,-0.348475,0.00799881],[2.63906,1.68786,0.0878918,-0.0817385],[0.174715,0.281808,0.164305,0.00485306],[-0.0708806,-0.0663235,0.0445827,0.0248437],[-0.0404963,-0.071838,-0.00874065,0.0121054],[-0.00338929,-0.0183069,-0.0118879,0.00172237]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.37
S298 (cal/mol*K) = 44.53
G298 (kcal/mol) = -29.63

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H7(210); H(25), C2H4(115); C7H10(1)+H(25)(+M)=>C5H7(210)+C2H4(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.100e+01 -1.950e+00 -3.485e-01 7.999e-03 / CHEB/ 2.639e+00 1.688e+00 8.789e-02 -8.174e-02 / CHEB/ 1.747e-01 2.818e-01 1.643e-01 4.853e-03 / CHEB/ -7.088e-02 -6.632e-02 4.458e-02 2.484e-02 / CHEB/ -4.050e-02 -7.184e-02 -8.741e-03 1.211e-02 / CHEB/ -3.389e-03 -1.831e-02 -1.189e-02 1.722e-03 /

872.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-0.6	+2.6	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-0.6	+2.6	+4.2

Chebyshev(coeffs=[[-2.20463,-0.182514,-0.107611,-0.0431704],[11.9711,0.176571,0.0995006,0.03539],[0.364453,0.00559502,0.00596416,0.00496212],[0.0899079,-0.0227899,-0.0125725,-0.0041818],[0.0166291,-0.0042643,-0.00315552,-0.00187589],[0.00436976,0.00523974,0.00278223,0.000815506]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.84
S298 (cal/mol*K) = 20.64
G298 (kcal/mol) = 22.69

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(218); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(218)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.205e+00 -1.825e-01 -1.076e-01 -4.317e-02 / CHEB/ 1.197e+01 1.766e-01 9.950e-02 3.539e-02 / CHEB/ 3.645e-01 5.595e-03 5.964e-03 4.962e-03 / CHEB/ 8.991e-02 -2.279e-02 -1.257e-02 -4.182e-03 / CHEB/ 1.663e-02 -4.264e-03 -3.156e-03 -1.876e-03 / CHEB/ 4.370e-03 5.240e-03 2.782e-03 8.155e-04 /

873.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.1	+5.0	+5.2	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+3.4	+5.5	+5.9	+5.8

Chebyshev(coeffs=[[9.50733,0.587211,0.157266,0.0312043],[1.62681,1.10167,-0.365511,-0.0306261],[0.0169604,0.0608412,0.040337,-0.0128407],[-0.1316,0.0166312,0.0528015,-0.00783631],[-0.126275,0.0190397,0.0225805,-0.00101047],[-0.0682892,0.0144321,0.0039414,0.00161118]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.38
S298 (cal/mol*K) = 0.54
G298 (kcal/mol) = -30.54

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(40); H(25), C7H11(40); C7H10(1)+H(25)(+M)=>C7H11(40)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.507e+00 5.872e-01 1.573e-01 3.120e-02 / CHEB/ 1.627e+00 1.102e+00 -3.655e-01 -3.063e-02 / CHEB/ 1.696e-02 6.084e-02 4.034e-02 -1.284e-02 / CHEB/ -1.316e-01 1.663e-02 5.280e-02 -7.836e-03 / CHEB/ -1.263e-01 1.904e-02 2.258e-02 -1.010e-03 / CHEB/ -6.829e-02 1.443e-02 3.941e-03 1.611e-03 /

874.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+0.9	+3.2	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+0.7	+3.2	+4.7

Chebyshev(coeffs=[[3.38816,-1,-0.169541,-0.023032],[5.90488,1.04144,0.0974751,-0.000945498],[1.0675,0.0438565,0.0661424,0.00908282],[0.243926,-0.0947117,0.00897485,0.0112337],[0.0627696,-0.0247522,-0.0140891,-0.00139138],[0.00536921,0.0070281,-0.00852207,-0.00460728]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.83
S298 (cal/mol*K) = -2.55
G298 (kcal/mol) = -19.07

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(219); H(25), C7H11(219); C7H10(1)+H(25)(+M)=>C7H11(219)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.388e+00 -1.000e+00 -1.695e-01 -2.303e-02 / CHEB/ 5.905e+00 1.041e+00 9.748e-02 -9.455e-04 / CHEB/ 1.068e+00 4.386e-02 6.614e-02 9.083e-03 / CHEB/ 2.439e-01 -9.471e-02 8.975e-03 1.123e-02 / CHEB/ 6.277e-02 -2.475e-02 -1.409e-02 -1.391e-03 / CHEB/ 5.369e-03 7.028e-03 -8.522e-03 -4.607e-03 /

875.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.1	+2.8	+3.5	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-0.0	+3.4	+4.3	+4.4

Chebyshev(coeffs=[[6.25306,0.707853,-0.204445,-0.0413455],[3.18382,1.03273,0.0184278,-0.0107433],[0.301447,0.180513,0.061226,-0.00541694],[-0.164446,-0.0395501,0.040381,0.0144722],[-0.140988,-0.0264999,0.00602072,0.00954113],[-0.0431094,0.00634931,-0.00167703,0.000363999]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.38
S298 (cal/mol*K) = -0.84
G298 (kcal/mol) = -30.13

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(220); H(25), C7H11(220); C7H10(1)+H(25)(+M)=>C7H11(220)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.253e+00 7.079e-01 -2.044e-01 -4.135e-02 / CHEB/ 3.184e+00 1.033e+00 1.843e-02 -1.074e-02 / CHEB/ 3.014e-01 1.805e-01 6.123e-02 -5.417e-03 / CHEB/ -1.644e-01 -3.955e-02 4.038e-02 1.447e-02 / CHEB/ -1.410e-01 -2.650e-02 6.021e-03 9.541e-03 / CHEB/ -4.311e-02 6.349e-03 -1.677e-03 3.640e-04 /

876.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.8	-4.9	-0.4	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-17.8	-4.9	-0.4	+1.9

Chebyshev(coeffs=[[-10.5634,-0.035688,-0.023679,-0.0122811],[18.1561,0.0246647,0.0167534,0.00897347],[0.216723,0.00109657,0.000386908,5.3291e-06],[0.0557184,-0.00298768,-0.00237028,-0.00151178],[-0.000875088,-9.82307e-05,-0.000183408,-0.000218533],[-0.0037088,0.00135644,0.000986365,0.000547106]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 55.22
S298 (cal/mol*K) = 24.15
G298 (kcal/mol) = 48.03

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(28); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.056e+01 -3.569e-02 -2.368e-02 -1.228e-02 / CHEB/ 1.816e+01 2.466e-02 1.675e-02 8.973e-03 / CHEB/ 2.167e-01 1.097e-03 3.869e-04 5.329e-06 / CHEB/ 5.572e-02 -2.988e-03 -2.370e-03 -1.512e-03 / CHEB/ -8.751e-04 -9.823e-05 -1.834e-04 -2.185e-04 / CHEB/ -3.709e-03 1.356e-03 9.864e-04 5.471e-04 /

877.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-3.9	-0.1	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-14.7	-3.9	-0.1	+1.9

Chebyshev(coeffs=[[-7.47883,-0.0941351,-0.0564875,-0.0262172],[14.9169,0.0823854,0.0479743,0.0218441],[0.350188,0.00273372,0.00249713,0.00114503],[0.0734793,-0.00809901,-0.00585163,-0.00309507],[-0.00274561,-0.00150673,-0.00102947,-0.000681336],[-0.0028467,0.00246582,0.00178237,0.00093169]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.37
S298 (cal/mol*K) = 14.06
G298 (kcal/mol) = 38.18

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(33); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.479e+00 -9.414e-02 -5.649e-02 -2.622e-02 / CHEB/ 1.492e+01 8.239e-02 4.797e-02 2.184e-02 / CHEB/ 3.502e-01 2.734e-03 2.497e-03 1.145e-03 / CHEB/ 7.348e-02 -8.099e-03 -5.852e-03 -3.095e-03 / CHEB/ -2.746e-03 -1.507e-03 -1.029e-03 -6.813e-04 / CHEB/ -2.847e-03 2.466e-03 1.782e-03 9.317e-04 /

878.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.4	-7.1	-1.7	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-22.4	-7.1	-1.7	+1.0

Chebyshev(coeffs=[[-14.9217,-0.0163365,-0.0112324,-0.00611211],[21.5808,0.00995113,0.00682408,0.00369626],[0.264637,-0.000489709,-0.00033174,-0.000174885],[0.0721903,-0.00220711,-0.00151673,-0.000823715],[0.00516758,-0.000462052,-0.000319819,-0.000176092],[-0.00186926,0.000673022,0.000460849,0.000248692]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.77
S298 (cal/mol*K) = 21.06
G298 (kcal/mol) = 59.50

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(32); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.492e+01 -1.634e-02 -1.123e-02 -6.112e-03 / CHEB/ 2.158e+01 9.951e-03 6.824e-03 3.696e-03 / CHEB/ 2.646e-01 -4.897e-04 -3.317e-04 -1.749e-04 / CHEB/ 7.219e-02 -2.207e-03 -1.517e-03 -8.237e-04 / CHEB/ 5.168e-03 -4.621e-04 -3.198e-04 -1.761e-04 / CHEB/ -1.869e-03 6.730e-04 4.608e-04 2.487e-04 /

879.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.2	-7.8	-2.4	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-23.2	-7.8	-2.4	+0.4

Chebyshev(coeffs=[[-15.6405,-0.0164966,-0.0113412,-0.00617021],[21.6302,0.0101049,0.0069284,0.00375173],[0.287687,-0.000490418,-0.000332034,-0.000174862],[0.0780062,-0.00223513,-0.0015357,-0.000833749],[0.00667593,-0.000459957,-0.00031843,-0.000175385],[-0.00112546,0.00068203,0.000466918,0.000251879]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.77
S298 (cal/mol*K) = 19.68
G298 (kcal/mol) = 59.91

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(34); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.564e+01 -1.650e-02 -1.134e-02 -6.170e-03 / CHEB/ 2.163e+01 1.010e-02 6.928e-03 3.752e-03 / CHEB/ 2.877e-01 -4.904e-04 -3.320e-04 -1.749e-04 / CHEB/ 7.801e-02 -2.235e-03 -1.536e-03 -8.337e-04 / CHEB/ 6.676e-03 -4.600e-04 -3.184e-04 -1.754e-04 / CHEB/ -1.125e-03 6.820e-04 4.669e-04 2.519e-04 /

880.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+0.2	+2.1	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-5.0	+0.1	+2.1	+3.1

Chebyshev(coeffs=[[1.90205,-0.584547,-0.214293,-0.0175401],[6.72791,0.566069,0.165979,-0.0183476],[0.39383,0.0384465,0.0415412,0.0201343],[0.0477612,-0.0636325,-0.0148137,0.00700707],[-0.00133527,-0.0190876,-0.0125592,-0.00368816],[0.00800103,0.0103892,0.0010032,-0.00236679]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.47
S298 (cal/mol*K) = -1.16
G298 (kcal/mol) = -10.12

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(221); H(25), C7H11(221); C7H10(1)+H(25)(+M)=>C7H11(221)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.902e+00 -5.845e-01 -2.143e-01 -1.754e-02 / CHEB/ 6.728e+00 5.661e-01 1.660e-01 -1.835e-02 / CHEB/ 3.938e-01 3.845e-02 4.154e-02 2.013e-02 / CHEB/ 4.776e-02 -6.363e-02 -1.481e-02 7.007e-03 / CHEB/ -1.335e-03 -1.909e-02 -1.256e-02 -3.688e-03 / CHEB/ 8.001e-03 1.039e-02 1.003e-03 -2.367e-03 /

881.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.1	+5.7	+5.9	+5.6
log₁₀(k(10 bar)/[mole,m,s])	+3.9	+5.9	+6.3	+6.4

Chebyshev(coeffs=[[10.0737,-0.0690767,-0.123588,-0.0146912],[1.60152,1.37348,-0.273755,-0.0476092],[-0.0437793,0.123739,0.0633075,-0.00101164],[-0.101802,0.0927513,0.0803504,-0.00739215],[-0.0843968,0.059408,0.039913,-0.000357968],[-0.053401,0.0202838,0.00952216,0.00374813]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -33.95
S298 (cal/mol*K) = 2.28
G298 (kcal/mol) = -34.63

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(222); H(25), C7H11(222); C7H10(1)+H(25)(+M)=>C7H11(222)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.007e+01 -6.908e-02 -1.236e-01 -1.469e-02 / CHEB/ 1.602e+00 1.373e+00 -2.738e-01 -4.761e-02 / CHEB/ -4.378e-02 1.237e-01 6.331e-02 -1.012e-03 / CHEB/ -1.018e-01 9.275e-02 8.035e-02 -7.392e-03 / CHEB/ -8.440e-02 5.941e-02 3.991e-02 -3.580e-04 / CHEB/ -5.340e-02 2.028e-02 9.522e-03 3.748e-03 /

882.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.0	+4.1	+4.0	+3.7
log₁₀(k(10 bar)/[mole,m,s])	+1.9	+4.3	+4.7	+4.5

Chebyshev(coeffs=[[8.45224,-0.993321,-0.456388,0.00277297],[1.48597,2.41385,0.0978901,-0.0927246],[-0.131052,0.400919,0.150047,0.00404898],[-0.131938,-0.0297047,0.0412267,0.0120962],[-0.0983588,-0.0481368,0.0139032,0.00739205],[-0.0539597,-0.0199169,0.00460528,0.006276]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.99
S298 (cal/mol*K) = 6.40
G298 (kcal/mol) = -23.89

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(224); H(25), C7H11(224); C7H10(1)+H(25)(+M)=>C7H11(224)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.452e+00 -9.933e-01 -4.564e-01 2.773e-03 / CHEB/ 1.486e+00 2.414e+00 9.789e-02 -9.272e-02 / CHEB/ -1.311e-01 4.009e-01 1.500e-01 4.049e-03 / CHEB/ -1.319e-01 -2.970e-02 4.123e-02 1.210e-02 / CHEB/ -9.836e-02 -4.814e-02 1.390e-02 7.392e-03 / CHEB/ -5.396e-02 -1.992e-02 4.605e-03 6.276e-03 /

883.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	+3.2	+5.3	+6.3
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+2.8	+5.1	+6.3

Chebyshev(coeffs=[[3.90796,-1.06604,-0.368293,-0.0764596],[8.00839,0.722883,0.272089,0.0321921],[0.355893,0.152863,0.0306124,0.0316317],[0.0133786,0.0408094,-0.0242786,-0.00427899],[-0.0314634,0.00902377,-0.0119784,-0.0114089],[-0.0152184,0.00349941,0.00621272,-0.00720481]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.08
S298 (cal/mol*K) = 37.78
G298 (kcal/mol) = 4.82

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(146); H(25), H(25); C7H10(1)+H(25)(+M)=>C7H10(146)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.908e+00 -1.066e+00 -3.683e-01 -7.646e-02 / CHEB/ 8.008e+00 7.229e-01 2.721e-01 3.219e-02 / CHEB/ 3.559e-01 1.529e-01 3.061e-02 3.163e-02 / CHEB/ 1.338e-02 4.081e-02 -2.428e-02 -4.279e-03 / CHEB/ -3.146e-02 9.024e-03 -1.198e-02 -1.141e-02 / CHEB/ -1.522e-02 3.499e-03 6.213e-03 -7.205e-03 /

884.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.5	+4.0	+4.1	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-0.4	+3.4	+4.2	+4.3

Chebyshev(coeffs=[[6.83672,-2.40713,-0.578873,-0.0272403],[3.15661,3.06248,-0.0986448,-0.0535724],[-0.248723,0.591779,0.239779,-0.00854669],[-0.235765,0.138809,0.119104,0.00923408],[-0.0823664,0.0339857,0.0373039,0.00341332],[-0.0292486,0.00790384,0.00654925,0.00158804]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.13
S298 (cal/mol*K) = 17.16
G298 (kcal/mol) = -25.24

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(225); H(25), C7H11(225); C7H10(1)+H(25)(+M)=>C7H11(225)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.837e+00 -2.407e+00 -5.789e-01 -2.724e-02 / CHEB/ 3.157e+00 3.062e+00 -9.864e-02 -5.357e-02 / CHEB/ -2.487e-01 5.918e-01 2.398e-01 -8.547e-03 / CHEB/ -2.358e-01 1.388e-01 1.191e-01 9.234e-03 / CHEB/ -8.237e-02 3.399e-02 3.730e-02 3.413e-03 / CHEB/ -2.925e-02 7.904e-03 6.549e-03 1.588e-03 /

885.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	+3.1	+4.2	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-1.7	+2.9	+4.4	+4.9

Chebyshev(coeffs=[[5.52225,-1.12574,-0.351881,0.0142842],[4.50881,2.06593,-0.0604332,-0.0816274],[0.334625,0.281174,0.14584,0.0328203],[-0.125826,0.0901628,0.00687709,0.0149426],[-0.186939,0.0957994,-0.00477082,-0.0187865],[-0.110956,0.0594392,0.0188419,-0.0141779]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -41.52
S298 (cal/mol*K) = 11.83
G298 (kcal/mol) = -45.04

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(226); H(25), C7H11(226); C7H10(1)+H(25)(+M)=>C7H11(226)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.522e+00 -1.126e+00 -3.519e-01 1.428e-02 / CHEB/ 4.509e+00 2.066e+00 -6.043e-02 -8.163e-02 / CHEB/ 3.346e-01 2.812e-01 1.458e-01 3.282e-02 / CHEB/ -1.258e-01 9.016e-02 6.877e-03 1.494e-02 / CHEB/ -1.869e-01 9.580e-02 -4.771e-03 -1.879e-02 / CHEB/ -1.110e-01 5.944e-02 1.884e-02 -1.418e-02 /

886.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.6	+4.1	+4.3	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+0.4	+4.1	+4.9	+4.8

Chebyshev(coeffs=[[7.15487,-1.01777,-0.519593,0.000101563],[3.13211,2.32305,0.0895647,-0.101829],[-0.0764224,0.462273,0.188163,7.52629e-06],[-0.21852,0.0161819,0.0654645,0.0169232],[-0.129081,-0.0337166,0.0118464,0.00925201],[-0.0460491,-0.0222521,0.00269335,0.00541135]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.58
S298 (cal/mol*K) = 13.84
G298 (kcal/mol) = -13.70

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(227); H(25), C7H11(227); C7H10(1)+H(25)(+M)=>C7H11(227)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.155e+00 -1.018e+00 -5.196e-01 1.016e-04 / CHEB/ 3.132e+00 2.323e+00 8.956e-02 -1.018e-01 / CHEB/ -7.642e-02 4.623e-01 1.882e-01 7.526e-06 / CHEB/ -2.185e-01 1.618e-02 6.546e-02 1.692e-02 / CHEB/ -1.291e-01 -3.372e-02 1.185e-02 9.252e-03 / CHEB/ -4.605e-02 -2.225e-02 2.693e-03 5.411e-03 /

887.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.4	+3.6	+3.7	+3.4
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+3.5	+4.2	+4.1

Chebyshev(coeffs=[[6.95871,-1.11909,-0.505216,-0.0140971],[2.6788,2.26776,0.0481834,-0.0740194],[-0.0585914,0.430377,0.180227,0.00374331],[-0.235461,0.0451388,0.0599589,0.00800566],[-0.144648,-0.00461805,0.00978213,0.00296829],[-0.0500782,-0.00504807,0.00143108,0.00305689]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.78
S298 (cal/mol*K) = 12.74
G298 (kcal/mol) = -22.57

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(228); H(25), C7H11(228); C7H10(1)+H(25)(+M)=>C7H11(228)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.959e+00 -1.119e+00 -5.052e-01 -1.410e-02 / CHEB/ 2.679e+00 2.268e+00 4.818e-02 -7.402e-02 / CHEB/ -5.859e-02 4.304e-01 1.802e-01 3.743e-03 / CHEB/ -2.355e-01 4.514e-02 5.996e-02 8.006e-03 / CHEB/ -1.446e-01 -4.618e-03 9.782e-03 2.968e-03 / CHEB/ -5.008e-02 -5.048e-03 1.431e-03 3.057e-03 /

888.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.1	+2.8	+3.5	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+2.7	+3.9	+4.2

Chebyshev(coeffs=[[5.64542,-1.08212,-0.564927,0.00352401],[3.62331,2.18123,0.0480814,-0.111153],[0.165249,0.413369,0.174341,-0.0120748],[-0.109035,0.0298869,0.0652949,0.0110207],[-0.111829,0.0120194,0.0153872,0.00686588],[-0.0686552,0.0193243,0.0115705,0.004127]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.78
S298 (cal/mol*K) = 12.74
G298 (kcal/mol) = -22.57

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(229); H(25), C7H11(229); C7H10(1)+H(25)(+M)=>C7H11(229)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.645e+00 -1.082e+00 -5.649e-01 3.524e-03 / CHEB/ 3.623e+00 2.181e+00 4.808e-02 -1.112e-01 / CHEB/ 1.652e-01 4.134e-01 1.743e-01 -1.207e-02 / CHEB/ -1.090e-01 2.989e-02 6.529e-02 1.102e-02 / CHEB/ -1.118e-01 1.202e-02 1.539e-02 6.866e-03 / CHEB/ -6.866e-02 1.932e-02 1.157e-02 4.127e-03 /

889.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	-0.2	+2.2	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-0.9	+1.9	+3.3

Chebyshev(coeffs=[[0.546708,-2.35991,-0.340262,0.0157375],[7.99619,2.06471,0.204762,-0.0374015],[0.769023,0.186922,0.0881276,0.0173117],[0.0351511,0.020451,-0.043481,-0.0176056],[-0.0226356,0.0179366,-0.000167696,-0.0152099],[-0.01118,-0.00912956,0.0196988,0.000243247]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.38
S298 (cal/mol*K) = 13.42
G298 (kcal/mol) = -11.37

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(230); H(25), C7H11(230); C7H10(1)+H(25)(+M)=>C7H11(230)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.467e-01 -2.360e+00 -3.403e-01 1.574e-02 / CHEB/ 7.996e+00 2.065e+00 2.048e-01 -3.740e-02 / CHEB/ 7.690e-01 1.869e-01 8.813e-02 1.731e-02 / CHEB/ 3.515e-02 2.045e-02 -4.348e-02 -1.761e-02 / CHEB/ -2.264e-02 1.794e-02 -1.677e-04 -1.521e-02 / CHEB/ -1.118e-02 -9.130e-03 1.970e-02 2.432e-04 /

890.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	+0.5	+4.1	+5.8
log₁₀(k(10 bar)/[mole,m,s])	-10.9	+0.4	+4.1	+5.8

Chebyshev(coeffs=[[-3.90593,-0.288174,-0.172195,-0.0720094],[15.7659,0.172458,0.1007,0.039953],[0.0237245,0.0779657,0.0436612,0.0153966],[-0.0348293,0.0237095,0.0134082,0.00490855],[-0.0365266,-0.0140372,-0.00593643,-0.00017699],[-0.0216456,-0.0125975,-0.00602344,-0.00111805]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.71
S298 (cal/mol*K) = 53.97
G298 (kcal/mol) = 32.63

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H7(210); H(25), C2H4(72); C7H10(1)+H(25)(+M)=>C5H7(210)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.906e+00 -2.882e-01 -1.722e-01 -7.201e-02 / CHEB/ 1.577e+01 1.725e-01 1.007e-01 3.995e-02 / CHEB/ 2.372e-02 7.797e-02 4.366e-02 1.540e-02 / CHEB/ -3.483e-02 2.371e-02 1.341e-02 4.909e-03 / CHEB/ -3.653e-02 -1.404e-02 -5.936e-03 -1.770e-04 / CHEB/ -2.165e-02 -1.260e-02 -6.023e-03 -1.118e-03 /

891.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.4	-7.1	-1.2	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-25.5	-7.1	-1.2	+1.6

Chebyshev(coeffs=[[-18.0563,-0.12034,-0.0778756,-0.0380146],[25.9149,0.0526078,0.0335777,0.0159445],[-0.140219,0.0433943,0.0271626,0.0123955],[-0.0872726,0.0183268,0.0115574,0.00536157],[-0.0511136,-0.00760711,-0.0041973,-0.00137376],[-0.0267243,-0.00857996,-0.00505121,-0.00199945]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.85
S298 (cal/mol*K) = 56.94
G298 (kcal/mol) = 65.88

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H5(99); H(25), C3H6(231); C7H10(1)+H(25)(+M)=>C3H6(231)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.806e+01 -1.203e-01 -7.788e-02 -3.801e-02 / CHEB/ 2.591e+01 5.261e-02 3.358e-02 1.594e-02 / CHEB/ -1.402e-01 4.339e-02 2.716e-02 1.240e-02 / CHEB/ -8.727e-02 1.833e-02 1.156e-02 5.362e-03 / CHEB/ -5.111e-02 -7.607e-03 -4.197e-03 -1.374e-03 / CHEB/ -2.672e-02 -8.580e-03 -5.051e-03 -1.999e-03 /

892.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.1	-4.4	+0.2	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-18.4	-4.6	+0.1	+2.5

Chebyshev(coeffs=[[-11.089,-0.456218,-0.12879,-0.0149609],[19.4684,0.291997,0.0501448,-0.00719635],[0.0526374,0.0937521,0.0363245,0.00742535],[0.024676,0.0541541,0.0159388,0.000174292],[0.0302317,0.00982369,0.00316161,-0.00372776],[0.00350801,-0.0133429,-0.00133654,-2.4048e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.58
S298 (cal/mol*K) = 42.66
G298 (kcal/mol) = 46.87

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(18); H(25), H(25); C7H10(1)+H(25)(+M)=>C7H10(18)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.109e+01 -4.562e-01 -1.288e-01 -1.496e-02 / CHEB/ 1.947e+01 2.920e-01 5.014e-02 -7.196e-03 / CHEB/ 5.264e-02 9.375e-02 3.632e-02 7.425e-03 / CHEB/ 2.468e-02 5.415e-02 1.594e-02 1.743e-04 / CHEB/ 3.023e-02 9.824e-03 3.162e-03 -3.728e-03 / CHEB/ 3.508e-03 -1.334e-02 -1.337e-03 -2.405e-05 /

893.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.3	-4.5	+0.1	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-4.6	+0.0	+2.2

Chebyshev(coeffs=[[-11.1357,-0.411527,-0.135299,-0.0304814],[19.2991,0.236675,0.0454478,0.00229886],[0.166678,0.117978,0.0389685,0.00271276],[-0.0104067,0.0277082,0.0155344,0.00490392],[-0.0528802,-0.0197486,0.000362414,0.00195377],[-0.0301744,-0.0138156,-0.00122031,0.000925354]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.01
S298 (cal/mol*K) = 38.82
G298 (kcal/mol) = 47.45

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(89); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.114e+01 -4.115e-01 -1.353e-01 -3.048e-02 / CHEB/ 1.930e+01 2.367e-01 4.545e-02 2.299e-03 / CHEB/ 1.667e-01 1.180e-01 3.897e-02 2.713e-03 / CHEB/ -1.041e-02 2.771e-02 1.553e-02 4.904e-03 / CHEB/ -5.288e-02 -1.975e-02 3.624e-04 1.954e-03 / CHEB/ -3.017e-02 -1.382e-02 -1.220e-03 9.254e-04 /

894.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.3	-10.5	-3.8	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-31.4	-10.6	-3.9	-0.6

Chebyshev(coeffs=[[-23.6526,-0.168128,-0.109791,-0.0544794],[29.1992,0.0808351,0.0518061,0.024769],[-0.023138,0.044427,0.0290046,0.0143923],[-0.0689979,0.0329555,0.020807,0.0096574],[-0.04449,-0.000706172,4.59778e-05,0.000493344],[-0.0262673,-0.0104331,-0.00631726,-0.0026707]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.52
S298 (cal/mol*K) = 44.67
G298 (kcal/mol) = 78.21

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(95); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.365e+01 -1.681e-01 -1.098e-01 -5.448e-02 / CHEB/ 2.920e+01 8.084e-02 5.181e-02 2.477e-02 / CHEB/ -2.314e-02 4.443e-02 2.900e-02 1.439e-02 / CHEB/ -6.900e-02 3.296e-02 2.081e-02 9.657e-03 / CHEB/ -4.449e-02 -7.062e-04 4.598e-05 4.933e-04 / CHEB/ -2.627e-02 -1.043e-02 -6.317e-03 -2.671e-03 /

895.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.6	-8.7	-1.7	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-30.7	-8.8	-1.7	+1.6

Chebyshev(coeffs=[[-23.0164,-0.156659,-0.0973047,-0.0437621],[30.9785,0.0695048,0.0430376,0.0191986],[-0.199746,0.0694099,0.0404873,0.0157099],[-0.109581,0.0231552,0.0140644,0.00604617],[-0.0612071,-0.0122148,-0.00572924,-0.000835729],[-0.0294505,-0.0120407,-0.00635297,-0.0018095]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.68
S298 (cal/mol*K) = 60.68
G298 (kcal/mol) = 81.60

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(232); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C5H8(232)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.302e+01 -1.567e-01 -9.730e-02 -4.376e-02 / CHEB/ 3.098e+01 6.950e-02 4.304e-02 1.920e-02 / CHEB/ -1.997e-01 6.941e-02 4.049e-02 1.571e-02 / CHEB/ -1.096e-01 2.316e-02 1.406e-02 6.046e-03 / CHEB/ -6.121e-02 -1.221e-02 -5.729e-03 -8.357e-04 / CHEB/ -2.945e-02 -1.204e-02 -6.353e-03 -1.810e-03 /

896.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.4	-8.4	-2.1	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-27.5	-8.5	-2.1	+1.0

Chebyshev(coeffs=[[-19.7839,-0.124662,-0.0803271,-0.0389167],[26.7104,0.0551539,0.0349553,0.0163897],[0.102374,0.0441765,0.027598,0.0125453],[-0.0157181,0.018887,0.0118276,0.0054144],[-0.027475,-0.00761378,-0.00417147,-0.00133746],[-0.018506,-0.00870919,-0.00509292,-0.00198473]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.32
S298 (cal/mol*K) = 43.57
G298 (kcal/mol) = 69.34

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(96); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.978e+01 -1.247e-01 -8.033e-02 -3.892e-02 / CHEB/ 2.671e+01 5.515e-02 3.496e-02 1.639e-02 / CHEB/ 1.024e-01 4.418e-02 2.760e-02 1.255e-02 / CHEB/ -1.572e-02 1.889e-02 1.183e-02 5.414e-03 / CHEB/ -2.748e-02 -7.614e-03 -4.171e-03 -1.337e-03 / CHEB/ -1.851e-02 -8.709e-03 -5.093e-03 -1.985e-03 /

897.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.4	-8.4	-2.1	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-27.5	-8.5	-2.1	+1.0

Chebyshev(coeffs=[[-19.7836,-0.125723,-0.0807976,-0.0389423],[26.7107,0.0558782,0.0351218,0.0162035],[0.101727,0.0442721,0.0277981,0.0127467],[-0.0161242,0.0190099,0.0118756,0.00541351],[-0.0275512,-0.00748941,-0.00412698,-0.00134777],[-0.0184908,-0.00867552,-0.00507268,-0.00197401]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.32
S298 (cal/mol*K) = 43.57
G298 (kcal/mol) = 69.34

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(97); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.978e+01 -1.257e-01 -8.080e-02 -3.894e-02 / CHEB/ 2.671e+01 5.588e-02 3.512e-02 1.620e-02 / CHEB/ 1.017e-01 4.427e-02 2.780e-02 1.275e-02 / CHEB/ -1.612e-02 1.901e-02 1.188e-02 5.414e-03 / CHEB/ -2.755e-02 -7.489e-03 -4.127e-03 -1.348e-03 / CHEB/ -1.849e-02 -8.676e-03 -5.073e-03 -1.974e-03 /

898.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.0	-10.8	-3.7	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-32.1	-10.8	-3.7	-0.3

Chebyshev(coeffs=[[-24.2474,-0.0993412,-0.0651456,-0.03259],[29.9481,0.0413558,0.0268269,0.0131395],[0.090373,0.036987,0.0235935,0.0111837],[-0.0216434,0.0161638,0.010367,0.0049704],[-0.0287617,-0.00655766,-0.00377907,-0.00140543],[-0.0183832,-0.00757649,-0.00460021,-0.00195868]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 93.72
S298 (cal/mol*K) = 44.25
G298 (kcal/mol) = 80.54

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(37); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.425e+01 -9.934e-02 -6.515e-02 -3.259e-02 / CHEB/ 2.995e+01 4.136e-02 2.683e-02 1.314e-02 / CHEB/ 9.037e-02 3.699e-02 2.359e-02 1.118e-02 / CHEB/ -2.164e-02 1.616e-02 1.037e-02 4.970e-03 / CHEB/ -2.876e-02 -6.558e-03 -3.779e-03 -1.405e-03 / CHEB/ -1.838e-02 -7.576e-03 -4.600e-03 -1.959e-03 /

899.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.8	+4.3	+4.7	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+4.0	+4.9	+5.2

Chebyshev(coeffs=[[7.71121,-1.32291,-0.336847,0.0742841],[2.89841,2.07136,-0.0471463,-0.113733],[-0.0165398,0.497465,0.0521306,-0.0273372],[-0.168281,0.120605,0.0366657,0.0155775],[-0.104843,0.029589,0.0160431,0.00511178],[-0.0591388,0.0119549,0.00829958,-0.00546222]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.70
S298 (cal/mol*K) = 9.55
G298 (kcal/mol) = -31.54

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(233); H(25), C7H11(233); C7H10(1)+H(25)(+M)=>C7H11(233)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.711e+00 -1.323e+00 -3.368e-01 7.428e-02 / CHEB/ 2.898e+00 2.071e+00 -4.715e-02 -1.137e-01 / CHEB/ -1.654e-02 4.975e-01 5.213e-02 -2.734e-02 / CHEB/ -1.683e-01 1.206e-01 3.667e-02 1.558e-02 / CHEB/ -1.048e-01 2.959e-02 1.604e-02 5.112e-03 / CHEB/ -5.914e-02 1.195e-02 8.300e-03 -5.462e-03 /

900.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.2	+3.7	+4.7	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-1.4	+2.9	+4.2	+4.9

Chebyshev(coeffs=[[6.1452,-2.46364,-0.406655,-0.0136733],[4.59437,1.98439,-0.0128802,-0.0770904],[0.232678,0.138625,0.193548,0.00979931],[-0.0643636,-0.000220114,0.0642852,0.0235029],[-0.0368483,0.0518112,0.00764828,0.00519162],[-0.0149985,0.0419356,0.00463219,-0.00157467]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.42
S298 (cal/mol*K) = 14.61
G298 (kcal/mol) = -24.77

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(234); H(25), C7H11(234); C7H10(1)+H(25)(+M)=>C7H11(234)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.145e+00 -2.464e+00 -4.067e-01 -1.367e-02 / CHEB/ 4.594e+00 1.984e+00 -1.288e-02 -7.709e-02 / CHEB/ 2.327e-01 1.386e-01 1.935e-01 9.799e-03 / CHEB/ -6.436e-02 -2.201e-04 6.429e-02 2.350e-02 / CHEB/ -3.685e-02 5.181e-02 7.648e-03 5.192e-03 / CHEB/ -1.500e-02 4.194e-02 4.632e-03 -1.575e-03 /

901.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+3.0	+3.8	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+3.2	+4.4	+4.7

Chebyshev(coeffs=[[5.83094,-0.0713677,-0.215168,0.0308719],[3.94274,1.5074,-0.167346,-0.0810944],[0.179766,0.194534,0.145359,-0.0266269],[-0.122373,0.0617877,0.0698253,0.010461],[-0.117431,0.0471239,0.0155812,0.00897086],[-0.0584029,0.00303994,0.00207244,0.0050749]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.28
S298 (cal/mol*K) = 10.64
G298 (kcal/mol) = -8.45

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(235); H(25), C7H11(235); C7H10(1)+H(25)(+M)=>C7H11(235)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.831e+00 -7.137e-02 -2.152e-01 3.087e-02 / CHEB/ 3.943e+00 1.507e+00 -1.673e-01 -8.109e-02 / CHEB/ 1.798e-01 1.945e-01 1.454e-01 -2.663e-02 / CHEB/ -1.224e-01 6.179e-02 6.983e-02 1.046e-02 / CHEB/ -1.174e-01 4.712e-02 1.558e-02 8.971e-03 / CHEB/ -5.840e-02 3.040e-03 2.072e-03 5.075e-03 /

902.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.9	-8.7	-2.1	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-29.0	-8.8	-2.1	+1.1

Chebyshev(coeffs=[[-21.3152,-0.106464,-0.0694999,-0.0344787],[28.4964,0.045077,0.0290763,0.0140892],[0.0110624,0.0392041,0.024848,0.0116293],[-0.0442217,0.0169464,0.0108064,0.00512351],[-0.0364702,-0.00691702,-0.00392705,-0.00140059],[-0.021291,-0.00793236,-0.00476601,-0.00198079]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.01
S298 (cal/mol*K) = 52.66
G298 (kcal/mol) = 65.32

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(236); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>C6H9(236)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.132e+01 -1.065e-01 -6.950e-02 -3.448e-02 / CHEB/ 2.850e+01 4.508e-02 2.908e-02 1.409e-02 / CHEB/ 1.106e-02 3.920e-02 2.485e-02 1.163e-02 / CHEB/ -4.422e-02 1.695e-02 1.081e-02 5.124e-03 / CHEB/ -3.647e-02 -6.917e-03 -3.927e-03 -1.401e-03 / CHEB/ -2.129e-02 -7.932e-03 -4.766e-03 -1.981e-03 /

903.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.3	-12.2	-5.2	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-33.4	-12.3	-5.2	-1.7

Chebyshev(coeffs=[[-25.5067,-0.100478,-0.0658328,-0.0328803],[29.7018,0.0427925,0.0277214,0.0135432],[0.118331,0.0372873,0.0237722,0.0112566],[-0.00796442,0.0160834,0.0103159,0.00494653],[-0.0196086,-0.00674646,-0.0038841,-0.00144093],[-0.015893,-0.00764429,-0.00463865,-0.00197255]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 92.72
S298 (cal/mol*K) = 41.63
G298 (kcal/mol) = 80.32

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(237); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(237)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.551e+01 -1.005e-01 -6.583e-02 -3.288e-02 / CHEB/ 2.970e+01 4.279e-02 2.772e-02 1.354e-02 / CHEB/ 1.183e-01 3.729e-02 2.377e-02 1.126e-02 / CHEB/ -7.964e-03 1.608e-02 1.032e-02 4.947e-03 / CHEB/ -1.961e-02 -6.746e-03 -3.884e-03 -1.441e-03 / CHEB/ -1.589e-02 -7.644e-03 -4.639e-03 -1.973e-03 /

904.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+1.4	+2.7	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-4.5	+1.3	+3.0	+3.7

Chebyshev(coeffs=[[-3.66253,-0.59032,-0.302302,0.0317834],[6.77055,1.50527,-0.0930246,-0.070345],[-0.0787768,0.477032,0.0539203,-0.0318316],[-0.173255,0.0811343,0.028131,-0.00429918],[-0.0677097,-0.0135394,0.0169099,-0.00503647],[-0.00650863,-0.00990693,0.0171911,-0.00354797]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.48
S298 (cal/mol*K) = -15.44
G298 (kcal/mol) = 22.08

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H10(1); C7H11(46), H(25); C7H11(46)(+M)=>C7H10(1)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.663e+00 -5.903e-01 -3.023e-01 3.178e-02 / CHEB/ 6.771e+00 1.505e+00 -9.302e-02 -7.034e-02 / CHEB/ -7.878e-02 4.770e-01 5.392e-02 -3.183e-02 / CHEB/ -1.733e-01 8.113e-02 2.813e-02 -4.299e-03 / CHEB/ -6.771e-02 -1.354e-02 1.691e-02 -5.036e-03 / CHEB/ -6.509e-03 -9.907e-03 1.719e-02 -3.548e-03 /

905.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.3	-1.4	+1.8	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-1.1	+2.5	+4.1

Chebyshev(coeffs=[[-12.0414,0.836197,-0.411352,-0.036536],[15.53,0.461748,0.128646,-0.00940967],[-0.250233,0.25441,0.0401323,-0.0252056],[-0.0993151,0.11006,0.0157263,-0.0156392],[-0.042425,0.00413436,0.019095,0.00358709],[-0.0201305,-0.0158216,0.0133919,0.00792896]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.31
S298 (cal/mol*K) = 5.20
G298 (kcal/mol) = 44.76

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(218); C7H11(46)(+M)=>H(25)+C7H10(218)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.204e+01 8.362e-01 -4.114e-01 -3.654e-02 / CHEB/ 1.553e+01 4.617e-01 1.286e-01 -9.410e-03 / CHEB/ -2.502e-01 2.544e-01 4.013e-02 -2.521e-02 / CHEB/ -9.932e-02 1.101e-01 1.573e-02 -1.564e-02 / CHEB/ -4.243e-02 4.134e-03 1.909e-02 3.587e-03 / CHEB/ -2.013e-02 -1.582e-02 1.339e-02 7.929e-03 /

907.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-0.7	+2.2	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-0.4	+2.8	+4.4

Chebyshev(coeffs=[[-9.73944,0.314004,-0.430158,0.00400403],[12.956,1.16493,0.147337,-0.0696815],[0.519618,0.0342006,0.0191438,-0.00398039],[-0.339748,0.069414,0.0303773,-0.0094835],[-0.0586937,0.0949919,0.0185604,-0.00991967],[0.0507387,-0.0407917,0.00465924,0.00999314]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.35
S298 (cal/mol*K) = -17.99
G298 (kcal/mol) = 3.01

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(219); C7H11(46)(+M)=>C7H11(219)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.739e+00 3.140e-01 -4.302e-01 4.004e-03 / CHEB/ 1.296e+01 1.165e+00 1.473e-01 -6.968e-02 / CHEB/ 5.196e-01 3.420e-02 1.914e-02 -3.980e-03 / CHEB/ -3.397e-01 6.941e-02 3.038e-02 -9.483e-03 / CHEB/ -5.869e-02 9.499e-02 1.856e-02 -9.920e-03 / CHEB/ 5.074e-02 -4.079e-02 4.659e-03 9.993e-03 /

908.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+4.3	+5.3	+5.5
log₁₀(k(10 bar)/[mole,m,s])	-1.2	+4.2	+5.6	+6.1

Chebyshev(coeffs=[[-0.416474,-0.681141,-0.287601,0.0304891],[6.17009,1.47937,-0.116842,-0.063852],[-0.221121,0.505484,0.0398764,-0.0332903],[-0.225082,0.0958384,0.0280096,-0.00547773],[-0.0914207,-0.00961985,0.0171169,-0.00507198],[-0.0152352,-0.00823928,0.0161038,-0.00433744]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.90
S298 (cal/mol*K) = -16.28
G298 (kcal/mol) = -8.05

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(220); C7H11(46)(+M)=>C7H11(220)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.165e-01 -6.811e-01 -2.876e-01 3.049e-02 / CHEB/ 6.170e+00 1.479e+00 -1.168e-01 -6.385e-02 / CHEB/ -2.211e-01 5.055e-01 3.988e-02 -3.329e-02 / CHEB/ -2.251e-01 9.584e-02 2.801e-02 -5.478e-03 / CHEB/ -9.142e-02 -9.620e-03 1.712e-02 -5.072e-03 / CHEB/ -1.524e-02 -8.239e-03 1.610e-02 -4.337e-03 /

909.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.7	-6.3	-1.7	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-21.3	-5.8	-0.9	+1.4

Chebyshev(coeffs=[[-21.0622,1.24216,-0.320831,-0.0460079],[21.9378,0.217833,0.0733717,-0.00790282],[-0.334782,0.198293,0.0519314,-0.0167064],[-0.148967,0.109347,0.0308788,-0.00778499],[-0.0405298,0.00133925,0.0126008,0.00737536],[-0.00662906,-0.0201072,0.0045674,0.00820229]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.70
S298 (cal/mol*K) = 8.71
G298 (kcal/mol) = 70.11

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(28); C7H11(46)(+M)=>H(25)+C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.106e+01 1.242e+00 -3.208e-01 -4.601e-02 / CHEB/ 2.194e+01 2.178e-01 7.337e-02 -7.903e-03 / CHEB/ -3.348e-01 1.983e-01 5.193e-02 -1.671e-02 / CHEB/ -1.490e-01 1.093e-01 3.088e-02 -7.785e-03 / CHEB/ -4.053e-02 1.339e-03 1.260e-02 7.375e-03 / CHEB/ -6.629e-03 -2.011e-02 4.567e-03 8.202e-03 /

910.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-4.9	-0.9	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-17.6	-4.5	-0.2	+1.7

Chebyshev(coeffs=[[-17.4153,1.05942,-0.362685,-0.0393609],[18.5532,0.31702,0.0956063,-0.00993498],[-0.288801,0.225071,0.0455524,-0.0228508],[-0.0927291,0.112012,0.0241036,-0.0122582],[-0.0410435,0.00374602,0.0165904,0.00615494],[-0.0261154,-0.0179664,0.00910211,0.00845914]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.85
S298 (cal/mol*K) = -1.38
G298 (kcal/mol) = 60.26

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(33); C7H11(46)(+M)=>H(25)+C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.742e+01 1.059e+00 -3.627e-01 -3.936e-02 / CHEB/ 1.855e+01 3.170e-01 9.561e-02 -9.935e-03 / CHEB/ -2.888e-01 2.251e-01 4.555e-02 -2.285e-02 / CHEB/ -9.273e-02 1.120e-01 2.410e-02 -1.226e-02 / CHEB/ -4.104e-02 3.746e-03 1.659e-02 6.155e-03 / CHEB/ -2.612e-02 -1.797e-02 9.102e-03 8.459e-03 /

911.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.5	-8.7	-3.1	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-26.1	-8.1	-2.3	+0.4

Chebyshev(coeffs=[[-25.5882,1.35215,-0.293978,-0.054001],[25.3966,0.173922,0.0654005,-0.00258726],[-0.268326,0.180275,0.0557227,-0.0108774],[-0.120574,0.101078,0.0333915,-0.00417773],[-0.0381812,-0.000451838,0.00974221,0.00761294],[-0.0076088,-0.0202175,0.00164604,0.0074801]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.25
S298 (cal/mol*K) = 5.62
G298 (kcal/mol) = 81.58

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(32); C7H11(46)(+M)=>H(25)+C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.559e+01 1.352e+00 -2.940e-01 -5.400e-02 / CHEB/ 2.540e+01 1.739e-01 6.540e-02 -2.587e-03 / CHEB/ -2.683e-01 1.803e-01 5.572e-02 -1.088e-02 / CHEB/ -1.206e-01 1.011e-01 3.339e-02 -4.178e-03 / CHEB/ -3.818e-02 -4.518e-04 9.742e-03 7.613e-03 / CHEB/ -7.609e-03 -2.022e-02 1.646e-03 7.480e-03 /

912.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.3	-9.4	-3.8	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-26.8	-8.8	-3.0	-0.2

Chebyshev(coeffs=[[-26.285,1.35037,-0.294459,-0.053863],[25.4032,0.176117,0.0659499,-0.00279839],[-0.203816,0.178422,0.0551837,-0.0107576],[-0.142909,0.102422,0.0337031,-0.00432153],[-0.0307634,-0.000425649,0.00975413,0.00760701],[0.00515834,-0.0210229,0.00145977,0.00755761]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.25
S298 (cal/mol*K) = 4.24
G298 (kcal/mol) = 81.99

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(34); C7H11(46)(+M)=>H(25)+C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.628e+01 1.350e+00 -2.945e-01 -5.386e-02 / CHEB/ 2.540e+01 1.761e-01 6.595e-02 -2.798e-03 / CHEB/ -2.038e-01 1.784e-01 5.518e-02 -1.076e-02 / CHEB/ -1.429e-01 1.024e-01 3.370e-02 -4.322e-03 / CHEB/ -3.076e-02 -4.256e-04 9.754e-03 7.607e-03 / CHEB/ 5.158e-03 -2.102e-02 1.460e-03 7.558e-03 /

913.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	-0.4	+1.5	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-0.3	+2.0	+3.0

Chebyshev(coeffs=[[-7.44344,0.114479,-0.472821,0.0180739],[9.90974,0.968238,0.136387,-0.071117],[-0.241215,0.349975,0.0420686,-0.0179613],[-0.164244,0.0998175,0.00414724,-0.00991416],[-0.0642995,-0.005124,0.0180574,-0.00466687],[-0.00975576,-0.013856,0.0198541,0.00186395]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.01
S298 (cal/mol*K) = -16.60
G298 (kcal/mol) = 11.95

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(221); C7H11(46)(+M)=>C7H11(221)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.443e+00 1.145e-01 -4.728e-01 1.807e-02 / CHEB/ 9.910e+00 9.682e-01 1.364e-01 -7.112e-02 / CHEB/ -2.412e-01 3.500e-01 4.207e-02 -1.796e-02 / CHEB/ -1.642e-01 9.982e-02 4.147e-03 -9.914e-03 / CHEB/ -6.430e-02 -5.124e-03 1.806e-02 -4.667e-03 / CHEB/ -9.756e-03 -1.386e-02 1.985e-02 1.864e-03 /

914.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.3	+7.8	+8.0	+7.8
log₁₀(k(10 bar)/[mole,m,s])	+6.3	+7.9	+8.3	+8.5

Chebyshev(coeffs=[[6.32332,0.332092,-0.0983181,0.00576165],[1.63977,0.554497,-0.143483,-0.0053929],[-0.182414,0.357026,-0.0634898,-0.0202439],[-0.129155,0.176707,-0.00536658,-0.0211822],[-0.057466,0.055145,0.0224768,-0.0145288],[-0.0156084,-0.000110008,0.0242325,-0.00571938]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.47
S298 (cal/mol*K) = -13.16
G298 (kcal/mol) = -12.55

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(222); C7H11(46)(+M)=>C7H11(222)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.323e+00 3.321e-01 -9.832e-02 5.762e-03 / CHEB/ 1.640e+00 5.545e-01 -1.435e-01 -5.393e-03 / CHEB/ -1.824e-01 3.570e-01 -6.349e-02 -2.024e-02 / CHEB/ -1.292e-01 1.767e-01 -5.367e-03 -2.118e-02 / CHEB/ -5.747e-02 5.514e-02 2.248e-02 -1.453e-02 / CHEB/ -1.561e-02 -1.100e-04 2.423e-02 -5.719e-03 /

915.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.9	+4.3	+4.4	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+4.7	+5.1	+5.1

Chebyshev(coeffs=[[9.02678,1.09733,-0.0394787,0.0154293],[1.36391,0.224819,-0.159373,-0.0305962],[-0.051053,0.248454,-0.0118174,-0.0182524],[-0.0828481,0.118167,0.0257914,-0.00806741],[-0.0714095,0.0313114,0.0292793,-0.0016155],[-0.0213342,-0.00643548,0.0144382,0.00122558]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.25
S298 (cal/mol*K) = -32.05
G298 (kcal/mol) = -25.70

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(18); C5H6(62), C7H10(18); C2H4(115)+C5H6(62)(+M)=>C7H10(18)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.027e+00 1.097e+00 -3.948e-02 1.543e-02 / CHEB/ 1.364e+00 2.248e-01 -1.594e-01 -3.060e-02 / CHEB/ -5.105e-02 2.485e-01 -1.182e-02 -1.825e-02 / CHEB/ -8.285e-02 1.182e-01 2.579e-02 -8.067e-03 / CHEB/ -7.141e-02 3.131e-02 2.928e-02 -1.615e-03 / CHEB/ -2.133e-02 -6.435e-03 1.444e-02 1.226e-03 /

916.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+0.2	+0.4	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-0.3	+0.6	+0.8	+0.9

Chebyshev(coeffs=[[5.19565,1.04406,-0.0156177,0.0299504],[1.19769,0.0811182,-0.14633,-0.0098908],[-0.181623,0.149789,-0.0318705,-0.0117674],[-0.0884766,0.0930247,-0.0033738,-0.00840231],[-0.0359873,0.048768,0.00836334,-0.00602971],[-0.0366652,0.01665,0.0058743,-0.00576366]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -94.83
S298 (cal/mol*K) = -74.71
G298 (kcal/mol) = -72.57

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(1); C5H6(62), C7H10(1); C2H4(115)+C5H6(62)(+M)=>C7H10(1)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.196e+00 1.044e+00 -1.562e-02 2.995e-02 / CHEB/ 1.198e+00 8.112e-02 -1.463e-01 -9.891e-03 / CHEB/ -1.816e-01 1.498e-01 -3.187e-02 -1.177e-02 / CHEB/ -8.848e-02 9.302e-02 -3.374e-03 -8.402e-03 / CHEB/ -3.599e-02 4.877e-02 8.363e-03 -6.030e-03 / CHEB/ -3.667e-02 1.665e-02 5.874e-03 -5.764e-03 /

917.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.2	+3.2	+3.2	+2.7
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+2.7	+3.1	+3.0

Chebyshev(coeffs=[[7.35555,-0.668672,-0.104375,0.031083],[1.63764,0.648316,-0.24212,-0.0132303],[-0.0921381,0.498839,-0.0184061,-0.0205455],[-0.245902,0.216335,0.0529702,-0.0156841],[-0.152475,0.0619659,0.0477373,-0.00373787],[-0.0782322,0.0126941,0.0139881,0.00311194]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -78.75
S298 (cal/mol*K) = -36.94
G298 (kcal/mol) = -67.75

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(146); C5H6(62), C7H10(146); C2H4(115)+C5H6(62)(+M)=>C7H10(146)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.356e+00 -6.687e-01 -1.044e-01 3.108e-02 / CHEB/ 1.638e+00 6.483e-01 -2.421e-01 -1.323e-02 / CHEB/ -9.214e-02 4.988e-01 -1.841e-02 -2.055e-02 / CHEB/ -2.459e-01 2.163e-01 5.297e-02 -1.568e-02 / CHEB/ -1.525e-01 6.197e-02 4.774e-02 -3.738e-03 / CHEB/ -7.823e-02 1.269e-02 1.399e-02 3.112e-03 /

918.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.0	+4.7	+4.9	+4.8
log₁₀(k(10 bar)/[mole,m,s])	+4.1	+5.0	+5.4	+5.5

Chebyshev(coeffs=[[9.78329,0.590545,-0.241075,-0.0207863],[0.96236,0.496539,-0.00748182,-0.0155225],[-0.0356065,0.204746,0.000626025,0.00460093],[-0.0478113,0.0737603,-0.00669693,-0.00403944],[-0.0296332,0.0379269,0.00681713,-0.00748854],[-0.0294162,0.0206476,0.0113404,-0.00527702]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -73.12
S298 (cal/mol*K) = -43.56
G298 (kcal/mol) = -60.14

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(153); C5H6(62), C7H10(153); C2H4(115)+C5H6(62)(+M)=>C7H10(153)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.783e+00 5.905e-01 -2.411e-01 -2.079e-02 / CHEB/ 9.624e-01 4.965e-01 -7.482e-03 -1.552e-02 / CHEB/ -3.561e-02 2.047e-01 6.260e-04 4.601e-03 / CHEB/ -4.781e-02 7.376e-02 -6.697e-03 -4.039e-03 / CHEB/ -2.963e-02 3.793e-02 6.817e-03 -7.489e-03 / CHEB/ -2.942e-02 2.065e-02 1.134e-02 -5.277e-03 /

919.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+0.2	+0.1	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-2.0	-0.2	-0.1	-0.4

Chebyshev(coeffs=[[4.22848,-0.310309,-0.280203,0.0750215],[1.6499,0.420985,-0.18033,-0.0510368],[-0.238273,0.21873,0.0132038,-0.0247523],[-0.296211,0.170516,0.0151392,-0.0106026],[-0.193122,0.12832,0.0133295,-0.00952905],[-0.0956483,0.0596063,0.0113601,-0.00742777]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -76.77
S298 (cal/mol*K) = -58.43
G298 (kcal/mol) = -59.36

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(21); C5H6(62), C7H10(21); C2H4(115)+C5H6(62)(+M)=>C7H10(21)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.228e+00 -3.103e-01 -2.802e-01 7.502e-02 / CHEB/ 1.650e+00 4.210e-01 -1.803e-01 -5.104e-02 / CHEB/ -2.383e-01 2.187e-01 1.320e-02 -2.475e-02 / CHEB/ -2.962e-01 1.705e-01 1.514e-02 -1.060e-02 / CHEB/ -1.931e-01 1.283e-01 1.333e-02 -9.529e-03 / CHEB/ -9.565e-02 5.961e-02 1.136e-02 -7.428e-03 /

920.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	+0.5	+0.8	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-3.0	+0.0	+0.7	+0.4

Chebyshev(coeffs=[[4.05315,-0.712367,-0.147105,0.00933794],[2.40435,0.707358,-0.224493,-0.00503738],[0.095413,0.49524,-0.0278408,-0.0269776],[-0.307484,0.212122,0.0521547,-0.0175853],[-0.249698,0.0610115,0.0504332,-0.00217715],[-0.121312,0.0131222,0.0154239,0.00481062]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -66.85
S298 (cal/mol*K) = -41.76
G298 (kcal/mol) = -54.41

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(238); C5H6(62), C7H10(238); C2H4(115)+C5H6(62)(+M)=>C7H10(238)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.053e+00 -7.124e-01 -1.471e-01 9.338e-03 / CHEB/ 2.404e+00 7.074e-01 -2.245e-01 -5.037e-03 / CHEB/ 9.541e-02 4.952e-01 -2.784e-02 -2.698e-02 / CHEB/ -3.075e-01 2.121e-01 5.215e-02 -1.759e-02 / CHEB/ -2.497e-01 6.101e-02 5.043e-02 -2.177e-03 / CHEB/ -1.213e-01 1.312e-02 1.542e-02 4.811e-03 /

921.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.2	+2.5	+2.8	+2.6
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+2.8	+3.3	+3.2

Chebyshev(coeffs=[[7.07182,0.376274,-0.372794,-0.070008],[1.44505,0.728045,0.0931942,0.00495087],[0.0823786,0.184525,-0.00806351,0.00878645],[-0.0994436,0.0594444,-0.0147087,-0.00929347],[-0.122402,0.0477449,0.0157398,-0.00655524],[-0.0797314,0.0279432,0.0203204,-0.00100094]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.17
S298 (cal/mol*K) = -48.36
G298 (kcal/mol) = -46.76

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(187); C5H6(62), C7H10(187); C2H4(115)+C5H6(62)(+M)=>C7H10(187)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.072e+00 3.763e-01 -3.728e-01 -7.001e-02 / CHEB/ 1.445e+00 7.280e-01 9.319e-02 4.951e-03 / CHEB/ 8.238e-02 1.845e-01 -8.064e-03 8.786e-03 / CHEB/ -9.944e-02 5.944e-02 -1.471e-02 -9.293e-03 / CHEB/ -1.224e-01 4.774e-02 1.574e-02 -6.555e-03 / CHEB/ -7.973e-02 2.794e-02 2.032e-02 -1.001e-03 /

922.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.9	+0.9	+1.3	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-0.5	+1.3	+2.0	+2.2

Chebyshev(coeffs=[[5.42172,1.09631,-0.0404965,0.0151478],[1.78166,0.226242,-0.15954,-0.0306864],[0.159697,0.248776,-0.0112963,-0.0180956],[-0.0769575,0.117007,0.0261531,-0.00800256],[-0.059185,0.0301516,0.0292668,-0.0015908],[-0.0160353,-0.00682088,0.0142418,0.00127069]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.14
S298 (cal/mol*K) = -42.50
G298 (kcal/mol) = -17.48

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(57); C5H6(62), C7H10(57); C2H4(115)+C5H6(62)(+M)=>C7H10(57)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.422e+00 1.096e+00 -4.050e-02 1.515e-02 / CHEB/ 1.782e+00 2.262e-01 -1.595e-01 -3.069e-02 / CHEB/ 1.597e-01 2.488e-01 -1.130e-02 -1.810e-02 / CHEB/ -7.696e-02 1.170e-01 2.615e-02 -8.003e-03 / CHEB/ -5.918e-02 3.015e-02 2.927e-02 -1.591e-03 / CHEB/ -1.604e-02 -6.821e-03 1.424e-02 1.271e-03 /

923.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+0.9	+2.4	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-4.0	+0.4	+2.1	+3.0

Chebyshev(coeffs=[[3.53048,-1.37555,-0.329143,-0.0829773],[4.83223,0.893865,0.114083,0.023296],[0.626313,0.210404,0.00717619,-0.000517197],[-0.00825024,0.0277007,0.0186036,-0.0174031],[-0.0222919,5.39116e-05,0.034315,0.00298269],[0.00409604,-0.00552472,0.0164631,0.0115516]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.66
S298 (cal/mol*K) = -32.21
G298 (kcal/mol) = 7.94

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(58); C5H6(62), C7H10(58); C2H4(115)+C5H6(62)(+M)=>C7H10(58)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.530e+00 -1.376e+00 -3.291e-01 -8.298e-02 / CHEB/ 4.832e+00 8.939e-01 1.141e-01 2.330e-02 / CHEB/ 6.263e-01 2.104e-01 7.176e-03 -5.172e-04 / CHEB/ -8.250e-03 2.770e-02 1.860e-02 -1.740e-02 / CHEB/ -2.229e-02 5.391e-05 3.432e-02 2.983e-03 / CHEB/ 4.096e-03 -5.525e-03 1.646e-02 1.155e-02 /

924.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.3	-2.9	-0.9	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-9.0	-3.3	-1.0	+0.1

Chebyshev(coeffs=[[-1.3728,-0.900705,-0.101664,-0.00353355],[6.76011,0.520054,-0.102098,-0.035526],[0.651388,0.254867,0.0572937,-0.0157041],[0.0432082,0.026224,0.0536794,0.00281146],[-0.011928,-0.0266326,0.0205807,0.0120601],[-0.00195854,-0.0161832,-0.00153188,0.00740854]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.53
S298 (cal/mol*K) = -36.25
G298 (kcal/mol) = -14.73

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(59); C5H6(62), C7H10(59); C2H4(115)+C5H6(62)(+M)=>C7H10(59)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.373e+00 -9.007e-01 -1.017e-01 -3.534e-03 / CHEB/ 6.760e+00 5.201e-01 -1.021e-01 -3.553e-02 / CHEB/ 6.514e-01 2.549e-01 5.729e-02 -1.570e-02 / CHEB/ 4.321e-02 2.622e-02 5.368e-02 2.811e-03 / CHEB/ -1.193e-02 -2.663e-02 2.058e-02 1.206e-02 / CHEB/ -1.959e-03 -1.618e-02 -1.532e-03 7.409e-03 /

925.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+2.6	+4.3	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+2.2	+4.1	+5.0

Chebyshev(coeffs=[[5.57769,-0.874522,-0.0670555,0.00192676],[4.61987,0.404282,-0.137022,-0.0383246],[0.76459,0.299911,0.0377776,-0.0145385],[0.0590832,0.0658004,0.0547376,-0.00213895],[-0.00161156,-0.0208477,0.0304022,0.00769123],[0.0100359,-0.0233862,0.00381922,0.00806057]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.95
S298 (cal/mol*K) = -15.05
G298 (kcal/mol) = -1.47

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(60); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(60)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.578e+00 -8.745e-01 -6.706e-02 1.927e-03 / CHEB/ 4.620e+00 4.043e-01 -1.370e-01 -3.832e-02 / CHEB/ 7.646e-01 2.999e-01 3.778e-02 -1.454e-02 / CHEB/ 5.908e-02 6.580e-02 5.474e-02 -2.139e-03 / CHEB/ -1.612e-03 -2.085e-02 3.040e-02 7.691e-03 / CHEB/ 1.004e-02 -2.339e-02 3.819e-03 8.061e-03 /

926.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-2.7	+0.8	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-2.9	+0.7	+2.6

Chebyshev(coeffs=[[-4.95866,-0.819675,-0.193473,0.00701352],[12.7891,0.668477,0.0384007,-0.0672306],[0.666415,0.103408,0.0888141,0.0118228],[0.113661,-0.00903839,0.0247914,0.0180657],[0.0174597,-0.0197883,-0.00146282,0.00983283],[-0.00406191,-0.00388335,-0.00454709,0.000622079]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.03
S298 (cal/mol*K) = -7.85
G298 (kcal/mol) = 33.37

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(61); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(61)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.959e+00 -8.197e-01 -1.935e-01 7.014e-03 / CHEB/ 1.279e+01 6.685e-01 3.840e-02 -6.723e-02 / CHEB/ 6.664e-01 1.034e-01 8.881e-02 1.182e-02 / CHEB/ 1.137e-01 -9.038e-03 2.479e-02 1.807e-02 / CHEB/ 1.746e-02 -1.979e-02 -1.463e-03 9.833e-03 / CHEB/ -4.062e-03 -3.883e-03 -4.547e-03 6.221e-04 /

927.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+1.6	+2.5	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+2.0	+3.2	+3.7

Chebyshev(coeffs=[[5.51074,0.6926,-0.0314534,0.0323352],[2.82864,0.776086,-0.22097,-0.0805218],[0.402956,0.297706,0.04167,-0.0182455],[0.0276335,0.0428081,0.0521345,0.00549905],[-0.0422123,-0.0170836,0.0295248,0.00649547],[-0.0196431,-0.0223407,0.00709882,0.00411003]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.75
S298 (cal/mol*K) = -39.28
G298 (kcal/mol) = -39.05

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(63); C5H6(62), C7H10(63); C2H4(115)+C5H6(62)(+M)=>C7H10(63)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.511e+00 6.926e-01 -3.145e-02 3.234e-02 / CHEB/ 2.829e+00 7.761e-01 -2.210e-01 -8.052e-02 / CHEB/ 4.030e-01 2.977e-01 4.167e-02 -1.825e-02 / CHEB/ 2.763e-02 4.281e-02 5.213e-02 5.499e-03 / CHEB/ -4.221e-02 -1.708e-02 2.952e-02 6.495e-03 / CHEB/ -1.964e-02 -2.234e-02 7.099e-03 4.110e-03 /

928.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	+0.1	+2.5	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-0.2	+2.4	+3.7

Chebyshev(coeffs=[[1.20961,-1.20734,-0.0810677,0.0298886],[7.5095,1.08769,-0.126714,-0.095213],[1.00872,-0.0319137,0.0727137,0.0200291],[0.00175646,0.069295,0.0764433,-0.00285777],[0.0113358,-0.00726621,-0.00587065,0.0107797],[0.00930928,-0.0355095,0.000850272,0.0126658]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.25
S298 (cal/mol*K) = -30.88
G298 (kcal/mol) = 2.95

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(64); C5H6(62), C7H10(64); C2H4(115)+C5H6(62)(+M)=>C7H10(64)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.210e+00 -1.207e+00 -8.107e-02 2.989e-02 / CHEB/ 7.510e+00 1.088e+00 -1.267e-01 -9.521e-02 / CHEB/ 1.009e+00 -3.191e-02 7.271e-02 2.003e-02 / CHEB/ 1.756e-03 6.929e-02 7.644e-02 -2.858e-03 / CHEB/ 1.134e-02 -7.266e-03 -5.871e-03 1.078e-02 / CHEB/ 9.309e-03 -3.551e-02 8.503e-04 1.267e-02 /

929.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+0.5	+2.5	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-4.9	+0.1	+2.4	+3.5

Chebyshev(coeffs=[[3.60307,-1.77032,-0.140159,0.049629],[4.6642,1.44386,-0.0451453,-0.0799988],[1.08795,0.398849,0.0666587,-0.0398732],[0.188851,-0.116117,0.018295,0.011319],[0.0144437,-0.106991,0.0166402,0.022725],[-0.0041873,-0.00801433,0.0157132,0.0080769]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.35
S298 (cal/mol*K) = -33.66
G298 (kcal/mol) = -17.32

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(65); C5H6(62), C7H10(65); C2H4(115)+C5H6(62)(+M)=>C7H10(65)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.603e+00 -1.770e+00 -1.402e-01 4.963e-02 / CHEB/ 4.664e+00 1.444e+00 -4.515e-02 -8.000e-02 / CHEB/ 1.088e+00 3.988e-01 6.666e-02 -3.987e-02 / CHEB/ 1.889e-01 -1.161e-01 1.829e-02 1.132e-02 / CHEB/ 1.444e-02 -1.070e-01 1.664e-02 2.273e-02 / CHEB/ -4.187e-03 -8.014e-03 1.571e-02 8.077e-03 /

930.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-2.5	+0.3	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-2.9	+0.3	+1.9

Chebyshev(coeffs=[[-0.486297,-1.6937,-0.218664,0.0324844],[6.60892,1.40692,0.0182662,-0.086635],[1.51816,0.418224,0.121579,-0.0103901],[0.27918,-0.115805,0.0229645,0.0146182],[0.0405396,-0.144358,-0.00875793,0.0163623],[-0.013079,-0.0273611,-0.00151598,0.0086917]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.45
S298 (cal/mol*K) = -31.98
G298 (kcal/mol) = -5.92

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(66); C5H6(62), C7H10(66); C2H4(115)+C5H6(62)(+M)=>C7H10(66)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.863e-01 -1.694e+00 -2.187e-01 3.248e-02 / CHEB/ 6.609e+00 1.407e+00 1.827e-02 -8.663e-02 / CHEB/ 1.518e+00 4.182e-01 1.216e-01 -1.039e-02 / CHEB/ 2.792e-01 -1.158e-01 2.296e-02 1.462e-02 / CHEB/ 4.054e-02 -1.444e-01 -8.758e-03 1.636e-02 / CHEB/ -1.308e-02 -2.736e-02 -1.516e-03 8.692e-03 /

931.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	-1.2	+0.9	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-1.9	+0.8	+2.4

Chebyshev(coeffs=[[1.92805,-1.88061,-0.200535,0.0392773],[4.85213,1.38179,-0.0530356,-0.0781407],[1.14243,0.54802,0.15073,-0.0205268],[0.324027,0.0324075,0.0606708,0.00647051],[0.124522,-0.102568,-0.014092,0.00308507],[0.0378749,-0.0909796,-0.0211905,0.00504393]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.55
S298 (cal/mol*K) = -34.76
G298 (kcal/mol) = -26.19

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(67); C5H6(62), C7H10(67); C2H4(115)+C5H6(62)(+M)=>C7H10(67)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.928e+00 -1.881e+00 -2.005e-01 3.928e-02 / CHEB/ 4.852e+00 1.382e+00 -5.304e-02 -7.814e-02 / CHEB/ 1.142e+00 5.480e-01 1.507e-01 -2.053e-02 / CHEB/ 3.240e-01 3.241e-02 6.067e-02 6.471e-03 / CHEB/ 1.245e-01 -1.026e-01 -1.409e-02 3.085e-03 / CHEB/ 3.787e-02 -9.098e-02 -2.119e-02 5.044e-03 /

932.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	-0.2	+1.9	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-6.3	-0.5	+1.7	+2.9

Chebyshev(coeffs=[[1.40615,-0.894649,-0.0979342,-0.00351624],[6.71205,0.517072,-0.104332,-0.035495],[0.725682,0.260666,0.0586457,-0.015209],[0.0574198,0.0261071,0.0547449,0.00297393],[-0.00585709,-0.0281054,0.0207682,0.0123002],[-0.000353611,-0.0167852,-0.00188296,0.00755008]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.45
S298 (cal/mol*K) = -31.98
G298 (kcal/mol) = -5.92

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(68); C5H6(62), C7H10(68); C2H4(115)+C5H6(62)(+M)=>C7H10(68)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.406e+00 -8.946e-01 -9.793e-02 -3.516e-03 / CHEB/ 6.712e+00 5.171e-01 -1.043e-01 -3.550e-02 / CHEB/ 7.257e-01 2.607e-01 5.865e-02 -1.521e-02 / CHEB/ 5.742e-02 2.611e-02 5.474e-02 2.974e-03 / CHEB/ -5.857e-03 -2.811e-02 2.077e-02 1.230e-02 / CHEB/ -3.536e-04 -1.679e-02 -1.883e-03 7.550e-03 /

933.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.5	+3.1	+3.9	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+2.3	+3.5	+4.1

Chebyshev(coeffs=[[6.91046,-1.67993,-0.0380605,0.0963753],[2.95579,0.869694,-0.25931,-0.0987371],[0.318745,0.48633,0.0899014,-0.0438677],[-0.0529834,0.129408,0.080251,0.00296383],[-0.0178425,0.00703704,0.020123,0.00445368],[0.0130483,-0.0119732,-0.0015661,-0.00155677]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.55
S298 (cal/mol*K) = -34.76
G298 (kcal/mol) = -26.19

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(69); C5H6(62), C7H10(69); C2H4(115)+C5H6(62)(+M)=>C7H10(69)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.910e+00 -1.680e+00 -3.806e-02 9.638e-02 / CHEB/ 2.956e+00 8.697e-01 -2.593e-01 -9.874e-02 / CHEB/ 3.187e-01 4.863e-01 8.990e-02 -4.387e-02 / CHEB/ -5.298e-02 1.294e-01 8.025e-02 2.964e-03 / CHEB/ -1.784e-02 7.037e-03 2.012e-02 4.454e-03 / CHEB/ 1.305e-02 -1.197e-02 -1.566e-03 -1.557e-03 /

934.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	+0.7	+2.5	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-4.5	+0.3	+2.3	+3.3

Chebyshev(coeffs=[[3.11029,-0.891308,-0.077261,-0.000123761],[5.39522,0.450302,-0.129374,-0.0367712],[0.748003,0.290184,0.046725,-0.0151287],[0.0389155,0.0491461,0.0558691,-0.000912361],[-0.0120464,-0.0255721,0.0268468,0.00979253],[0.00281118,-0.0214277,0.00110758,0.00823437]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.25
S298 (cal/mol*K) = -30.88
G298 (kcal/mol) = 2.95

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(70); C5H6(62), C7H10(70); C2H4(115)+C5H6(62)(+M)=>C7H10(70)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.110e+00 -8.913e-01 -7.726e-02 -1.238e-04 / CHEB/ 5.395e+00 4.503e-01 -1.294e-01 -3.677e-02 / CHEB/ 7.480e-01 2.902e-01 4.673e-02 -1.513e-02 / CHEB/ 3.892e-02 4.915e-02 5.587e-02 -9.124e-04 / CHEB/ -1.205e-02 -2.557e-02 2.685e-02 9.793e-03 / CHEB/ 2.811e-03 -2.143e-02 1.108e-03 8.234e-03 /

935.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+0.1	+1.9	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-4.5	-0.4	+1.8	+2.9

Chebyshev(coeffs=[[3.32554,-0.894427,-0.0535303,0.000557901],[4.36871,0.418276,-0.161102,-0.0453529],[1.0123,0.321024,0.0377451,-0.0185577],[0.192864,0.0728989,0.063256,0.00280121],[0.0186122,-0.0345771,0.0346043,0.0121287],[-0.00889728,-0.0380695,0.00118941,0.00911235]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.01
S298 (cal/mol*K) = -38.37
G298 (kcal/mol) = -16.58

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(71); C5H6(62), C7H10(71); C2H4(115)+C5H6(62)(+M)=>C7H10(71)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.326e+00 -8.944e-01 -5.353e-02 5.579e-04 / CHEB/ 4.369e+00 4.183e-01 -1.611e-01 -4.535e-02 / CHEB/ 1.012e+00 3.210e-01 3.775e-02 -1.856e-02 / CHEB/ 1.929e-01 7.290e-02 6.326e-02 2.801e-03 / CHEB/ 1.861e-02 -3.458e-02 3.460e-02 1.213e-02 / CHEB/ -8.897e-03 -3.807e-02 1.189e-03 9.112e-03 /

936.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.3	-5.5	-0.5	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-20.6	-5.6	-0.5	+2.0

Chebyshev(coeffs=[[-13.0735,-0.435993,-0.211174,-0.0491849],[20.8636,0.328316,0.132746,0.00630815],[0.223453,0.0858961,0.0498407,0.0176739],[0.0317243,-0.0191451,0.00244986,0.0113057],[-0.00690347,-0.00304069,-0.00163991,0.000721472],[-0.0130203,0.00212265,-0.000368614,-0.001147]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.07
S298 (cal/mol*K) = 9.44
G298 (kcal/mol) = 62.26

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H6(62); C2H4(115), C2H4(72); C2H4(115)+C5H6(62)(+M)=>C2H4(72)+C5H6(62)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.307e+01 -4.360e-01 -2.112e-01 -4.918e-02 / CHEB/ 2.086e+01 3.283e-01 1.327e-01 6.308e-03 / CHEB/ 2.235e-01 8.590e-02 4.984e-02 1.767e-02 / CHEB/ 3.172e-02 -1.915e-02 2.450e-03 1.131e-02 / CHEB/ -6.903e-03 -3.041e-03 -1.640e-03 7.215e-04 / CHEB/ -1.302e-02 2.123e-03 -3.686e-04 -1.147e-03 /

937.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.3	-8.4	-1.8	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-27.5	-8.4	-1.8	+1.5

Chebyshev(coeffs=[[-19.6089,-0.310297,-0.170105,-0.0568164],[26.6788,0.23315,0.115141,0.0260317],[0.356589,0.0652316,0.0393133,0.0162767],[0.0691616,-0.0152031,-0.00168932,0.005801],[-0.0109381,-0.000259041,-0.000595007,-0.000285251],[0.00172321,0.00146501,2.64814e-05,-0.000684833]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.50
S298 (cal/mol*K) = 13.35
G298 (kcal/mol) = 79.53

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C4H6(74); C2H4(115), C3H4(73); C2H4(115)+C5H6(62)(+M)=>C4H6(74)+C3H4(73)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.961e+01 -3.103e-01 -1.701e-01 -5.682e-02 / CHEB/ 2.668e+01 2.332e-01 1.151e-01 2.603e-02 / CHEB/ 3.566e-01 6.523e-02 3.931e-02 1.628e-02 / CHEB/ 6.916e-02 -1.520e-02 -1.689e-03 5.801e-03 / CHEB/ -1.094e-02 -2.590e-04 -5.950e-04 -2.853e-04 / CHEB/ 1.723e-03 1.465e-03 2.648e-05 -6.848e-04 /

938.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	-1.6	+0.4	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-7.0	-2.0	+0.2	+1.4

Chebyshev(coeffs=[[0.72671,-1.12307,-0.202605,-0.0425183],[5.71735,0.736094,0.0247841,0.00548018],[0.811889,0.263979,0.0389054,-0.00478251],[0.103406,0.0370629,0.0392942,-0.00872413],[0.0264392,-0.0188275,0.0276515,0.00626904],[0.0233672,-0.0188316,0.00603403,0.00968689]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.58
S298 (cal/mol*K) = -30.00
G298 (kcal/mol) = 12.52

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(75); C5H6(62), C7H10(75); C2H4(115)+C5H6(62)(+M)=>C7H10(75)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.267e-01 -1.123e+00 -2.026e-01 -4.252e-02 / CHEB/ 5.717e+00 7.361e-01 2.478e-02 5.480e-03 / CHEB/ 8.119e-01 2.640e-01 3.891e-02 -4.783e-03 / CHEB/ 1.034e-01 3.706e-02 3.929e-02 -8.724e-03 / CHEB/ 2.644e-02 -1.883e-02 2.765e-02 6.269e-03 / CHEB/ 2.337e-02 -1.883e-02 6.034e-03 9.687e-03 /

939.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	+0.9	+2.3	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+0.4	+2.1	+2.9

Chebyshev(coeffs=[[3.86913,-0.8842,-0.067853,0.00273561],[4.40394,0.385399,-0.141135,-0.0375754],[0.642734,0.292026,0.031657,-0.0149821],[0.00758068,0.0688342,0.0513016,-0.00347117],[-0.0258372,-0.0162474,0.0303602,0.00626687],[-0.00110777,-0.0214958,0.00515946,0.00739117]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.92
S298 (cal/mol*K) = -36.39
G298 (kcal/mol) = -9.08

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(76); C5H6(62), C7H10(76); C2H4(115)+C5H6(62)(+M)=>C7H10(76)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.869e+00 -8.842e-01 -6.785e-02 2.736e-03 / CHEB/ 4.404e+00 3.854e-01 -1.411e-01 -3.758e-02 / CHEB/ 6.427e-01 2.920e-01 3.166e-02 -1.498e-02 / CHEB/ 7.581e-03 6.883e-02 5.130e-02 -3.471e-03 / CHEB/ -2.584e-02 -1.625e-02 3.036e-02 6.267e-03 / CHEB/ -1.108e-03 -2.150e-02 5.159e-03 7.391e-03 /

940.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	+0.2	+1.1	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-4.3	-0.7	+0.8	+1.5

Chebyshev(coeffs=[[3.75403,-2.05684,-0.164825,0.0483686],[3.2721,1.24036,-0.104021,-0.0618443],[0.489176,0.625718,0.0939187,-0.031865],[-0.0447479,0.141175,0.0762453,-0.00174784],[-0.0533621,-0.0310812,0.0282091,0.0067289],[0.030727,-0.0466961,-0.00499111,0.00252568]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -41.93
S298 (cal/mol*K) = -44.50
G298 (kcal/mol) = -28.67

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(77); C5H6(62), C7H10(77); C2H4(115)+C5H6(62)(+M)=>C7H10(77)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.754e+00 -2.057e+00 -1.648e-01 4.837e-02 / CHEB/ 3.272e+00 1.240e+00 -1.040e-01 -6.184e-02 / CHEB/ 4.892e-01 6.257e-01 9.392e-02 -3.186e-02 / CHEB/ -4.475e-02 1.412e-01 7.625e-02 -1.748e-03 / CHEB/ -5.336e-02 -3.108e-02 2.821e-02 6.729e-03 / CHEB/ 3.073e-02 -4.670e-02 -4.991e-03 2.526e-03 /

941.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+3.0	+3.9	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+2.5	+3.6	+4.1

Chebyshev(coeffs=[[7.00661,-0.883366,-0.0510992,0.00886775],[2.77449,0.301981,-0.154443,-0.0365856],[0.412168,0.28238,0.00891296,-0.0171712],[-0.0296477,0.10227,0.0419012,-0.00560133],[-0.0527848,0.00497516,0.0336896,0.00217697],[-0.00586094,-0.0197725,0.0111496,0.00495964]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.03
S298 (cal/mol*K) = -48.82
G298 (kcal/mol) = -29.48

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(78); C5H6(62), C7H10(78); C2H4(115)+C5H6(62)(+M)=>C7H10(78)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.007e+00 -8.834e-01 -5.110e-02 8.868e-03 / CHEB/ 2.774e+00 3.020e-01 -1.544e-01 -3.659e-02 / CHEB/ 4.122e-01 2.824e-01 8.913e-03 -1.717e-02 / CHEB/ -2.965e-02 1.023e-01 4.190e-02 -5.601e-03 / CHEB/ -5.278e-02 4.975e-03 3.369e-02 2.177e-03 / CHEB/ -5.861e-03 -1.977e-02 1.115e-02 4.960e-03 /

942.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.8	+3.4	+3.4	+2.9
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+3.2	+3.6	+3.4

Chebyshev(coeffs=[[7.66349,-0.131071,-0.2718,0.0499728],[1.39773,0.780275,-0.152809,-0.0789542],[-0.04118,0.354011,0.0650215,-0.0168737],[-0.172531,0.104874,0.0613232,0.0141449],[-0.138539,0.0335452,0.0297712,0.00838734],[-0.0869218,0.0199714,0.00757766,-0.00278363]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -85.95
S298 (cal/mol*K) = -41.73
G298 (kcal/mol) = -73.52

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(79); C5H6(62), C7H10(79); C2H4(115)+C5H6(62)(+M)=>C7H10(79)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.663e+00 -1.311e-01 -2.718e-01 4.997e-02 / CHEB/ 1.398e+00 7.803e-01 -1.528e-01 -7.895e-02 / CHEB/ -4.118e-02 3.540e-01 6.502e-02 -1.687e-02 / CHEB/ -1.725e-01 1.049e-01 6.132e-02 1.414e-02 / CHEB/ -1.385e-01 3.355e-02 2.977e-02 8.387e-03 / CHEB/ -8.692e-02 1.997e-02 7.578e-03 -2.784e-03 /

943.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.5	+3.2	+3.3	+2.9
log₁₀(k(10 bar)/[mole,m,s])	+1.0	+2.9	+3.3	+3.3

Chebyshev(coeffs=[[7.4649,-0.281538,-0.25534,0.0510476],[1.42902,0.76528,-0.229644,-0.0690133],[-0.00982819,0.349752,0.0371919,-0.0330749],[-0.150285,0.121179,0.0534461,0.00215557],[-0.134331,0.0672057,0.0264702,0.00430962],[-0.0836892,0.036905,0.0108726,-0.00221567]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.07
S298 (cal/mol*K) = -38.69
G298 (kcal/mol) = -58.54

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(80); C5H6(62), C7H10(80); C2H4(115)+C5H6(62)(+M)=>C7H10(80)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.465e+00 -2.815e-01 -2.553e-01 5.105e-02 / CHEB/ 1.429e+00 7.653e-01 -2.296e-01 -6.901e-02 / CHEB/ -9.828e-03 3.498e-01 3.719e-02 -3.307e-02 / CHEB/ -1.503e-01 1.212e-01 5.345e-02 2.156e-03 / CHEB/ -1.343e-01 6.721e-02 2.647e-02 4.310e-03 / CHEB/ -8.369e-02 3.690e-02 1.087e-02 -2.216e-03 /

944.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.2	-4.2	-0.0	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-16.6	-4.4	-0.1	+2.1

Chebyshev(coeffs=[[-9.12517,-0.583092,-0.232188,-0.0274333],[16.7806,0.438325,0.123749,-0.0257787],[0.372692,0.113094,0.0624509,0.0151107],[0.0708486,-0.0221956,0.0108351,0.0169452],[0.00329516,-0.00949917,-0.00267954,0.00403442],[-0.011492,0.00133767,-0.001885,-0.00116524]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.97
S298 (cal/mol*K) = 0.62
G298 (kcal/mol) = 41.78

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(81); C2H4(115), CH2(T)(82); C2H4(115)+C5H6(62)(+M)=>CH2(T)(82)+C6H8(81)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.125e+00 -5.831e-01 -2.322e-01 -2.743e-02 / CHEB/ 1.678e+01 4.383e-01 1.237e-01 -2.578e-02 / CHEB/ 3.727e-01 1.131e-01 6.245e-02 1.511e-02 / CHEB/ 7.085e-02 -2.220e-02 1.084e-02 1.695e-02 / CHEB/ 3.295e-03 -9.499e-03 -2.680e-03 4.034e-03 / CHEB/ -1.149e-02 1.338e-03 -1.885e-03 -1.165e-03 /

945.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.5	-14.8	-6.8	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-38.6	-14.8	-6.8	-2.8

Chebyshev(coeffs=[[-30.4866,-0.199667,-0.120377,-0.0506854],[33.4809,0.147233,0.0838905,0.030566],[0.160714,0.0471171,0.0293607,0.0132521],[0.0200344,-0.0115398,-0.00382531,0.00139607],[-0.000473949,0.000231688,-0.000152769,-0.000281908],[-0.00277847,0.00110064,0.000250353,-0.000279964]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.38
S298 (cal/mol*K) = 6.75
G298 (kcal/mol) = 95.37

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(83); C2H4(115), CH2(T)(82); C2H4(115)+C5H6(62)(+M)=>C6H8(83)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.049e+01 -1.997e-01 -1.204e-01 -5.069e-02 / CHEB/ 3.348e+01 1.472e-01 8.389e-02 3.057e-02 / CHEB/ 1.607e-01 4.712e-02 2.936e-02 1.325e-02 / CHEB/ 2.003e-02 -1.154e-02 -3.825e-03 1.396e-03 / CHEB/ -4.739e-04 2.317e-04 -1.528e-04 -2.819e-04 / CHEB/ -2.778e-03 1.101e-03 2.504e-04 -2.800e-04 /

946.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.2	-2.7	+0.9	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-12.9	-2.9	+0.8	+2.8

Chebyshev(coeffs=[[-5.17723,-0.737111,-0.207622,-0.00353452],[13.1799,0.553772,0.0639811,-0.0520161],[0.621687,0.147866,0.0771683,0.00679528],[0.123519,-0.0216073,0.0258789,0.0194679],[0.0184695,-0.0191925,-0.00142815,0.00933832],[-0.0050919,-0.0022522,-0.0047409,0.000368993]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.03
S298 (cal/mol*K) = -7.85
G298 (kcal/mol) = 33.37

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(84); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(84)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.177e+00 -7.371e-01 -2.076e-01 -3.535e-03 / CHEB/ 1.318e+01 5.538e-01 6.398e-02 -5.202e-02 / CHEB/ 6.217e-01 1.479e-01 7.717e-02 6.795e-03 / CHEB/ 1.235e-01 -2.161e-02 2.588e-02 1.947e-02 / CHEB/ 1.847e-02 -1.919e-02 -1.428e-03 9.338e-03 / CHEB/ -5.092e-03 -2.252e-03 -4.741e-03 3.690e-04 /

947.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-3.7	-0.7	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-4.2	-0.8	+1.2

Chebyshev(coeffs=[[-3.72334,-2.09769,-0.173183,0.0301655],[9.60208,1.7245,-0.0428674,-0.0423261],[0.949283,0.597669,0.149068,-0.0395416],[0.189825,-0.0786468,0.0598761,-0.00184628],[0.127538,-0.18558,-0.0265057,0.0170638],[0.0482938,-0.0840857,-0.0281669,0.0131367]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.95
S298 (cal/mol*K) = -26.08
G298 (kcal/mol) = 8.72

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(85); C5H6(62), C7H10(85); C2H4(115)+C5H6(62)(+M)=>C7H10(85)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.723e+00 -2.098e+00 -1.732e-01 3.017e-02 / CHEB/ 9.602e+00 1.724e+00 -4.287e-02 -4.233e-02 / CHEB/ 9.493e-01 5.977e-01 1.491e-01 -3.954e-02 / CHEB/ 1.898e-01 -7.865e-02 5.988e-02 -1.846e-03 / CHEB/ 1.275e-01 -1.856e-01 -2.651e-02 1.706e-02 / CHEB/ 4.829e-02 -8.409e-02 -2.817e-02 1.314e-02 /

948.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-3.5	-0.7	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-4.1	-0.8	+1.2

Chebyshev(coeffs=[[-1.68387,-1.80777,-0.253718,0.0292983],[7.03057,1.43905,0.0103451,-0.0739323],[1.29355,0.473643,0.183111,-0.000838542],[0.373419,-0.000266191,0.0632346,0.0119298],[0.162587,-0.0895644,-0.0186406,0.000883342],[0.039648,-0.0802602,-0.0299118,0.00130906]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.95
S298 (cal/mol*K) = -26.08
G298 (kcal/mol) = 8.72

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(86); C5H6(62), C7H10(86); C2H4(115)+C5H6(62)(+M)=>C7H10(86)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.684e+00 -1.808e+00 -2.537e-01 2.930e-02 / CHEB/ 7.031e+00 1.439e+00 1.035e-02 -7.393e-02 / CHEB/ 1.294e+00 4.736e-01 1.831e-01 -8.385e-04 / CHEB/ 3.734e-01 -2.662e-04 6.323e-02 1.193e-02 / CHEB/ 1.626e-01 -8.956e-02 -1.864e-02 8.833e-04 / CHEB/ 3.965e-02 -8.026e-02 -2.991e-02 1.309e-03 /

949.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.2	-1.7	+0.1	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-2.6	-0.2	+1.3

Chebyshev(coeffs=[[-0.441302,-2.26411,-0.158388,0.0188355],[7.01009,1.50516,-0.135277,-0.02956],[0.586224,0.727894,0.1428,-0.0291173],[-0.0620447,0.116414,0.124427,-0.000437171],[0.071467,-0.0607277,0.0280733,0.0151323],[0.133399,-0.0559149,-0.025944,0.00472333]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.95
S298 (cal/mol*K) = -26.08
G298 (kcal/mol) = 8.72

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(87); C5H6(62), C7H10(87); C2H4(115)+C5H6(62)(+M)=>C7H10(87)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.413e-01 -2.264e+00 -1.584e-01 1.884e-02 / CHEB/ 7.010e+00 1.505e+00 -1.353e-01 -2.956e-02 / CHEB/ 5.862e-01 7.279e-01 1.428e-01 -2.912e-02 / CHEB/ -6.204e-02 1.164e-01 1.244e-01 -4.372e-04 / CHEB/ 7.147e-02 -6.073e-02 2.807e-02 1.513e-02 / CHEB/ 1.334e-01 -5.591e-02 -2.594e-02 4.723e-03 /

950.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	-1.2	+1.3	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-9.8	-1.7	+1.2	+2.4

Chebyshev(coeffs=[[-1.23175,-1.80711,-0.299699,0.00209108],[8.7935,1.48395,-0.00465385,-0.0893943],[1.0241,0.324178,0.179333,0.00176759],[-0.0368653,-0.103776,0.0494812,0.0305451],[-0.0911928,-0.0943344,-0.0217709,0.012605],[-0.0479201,-0.0204486,-0.0204222,-0.00265096]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.15
S298 (cal/mol*K) = -26.50
G298 (kcal/mol) = 11.05

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(88); C5H6(62), C7H10(88); C2H4(115)+C5H6(62)(+M)=>C7H10(88)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.232e+00 -1.807e+00 -2.997e-01 2.091e-03 / CHEB/ 8.793e+00 1.484e+00 -4.654e-03 -8.939e-02 / CHEB/ 1.024e+00 3.242e-01 1.793e-01 1.768e-03 / CHEB/ -3.687e-02 -1.038e-01 4.948e-02 3.055e-02 / CHEB/ -9.119e-02 -9.433e-02 -2.177e-02 1.261e-02 / CHEB/ -4.792e-02 -2.045e-02 -2.042e-02 -2.651e-03 /

951.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+1.9	+3.2	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-2.3	+1.4	+3.0	+3.8

Chebyshev(coeffs=[[5.3877,-1.15803,0.083343,-0.0349936],[3.79845,0.545765,-0.253366,0.0032224],[0.574806,0.409847,-0.0248837,-0.00699867],[-0.00359229,0.120442,0.0425665,-0.0113743],[-0.0162285,-0.024144,0.0427113,-0.000477269],[0.0241843,-0.0576302,0.0198544,0.0077891]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.82
S298 (cal/mol*K) = -35.90
G298 (kcal/mol) = -25.12

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(89); C5H6(62), C7H10(89); C2H4(115)+C5H6(62)(+M)=>C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.388e+00 -1.158e+00 8.334e-02 -3.499e-02 / CHEB/ 3.798e+00 5.458e-01 -2.534e-01 3.222e-03 / CHEB/ 5.748e-01 4.098e-01 -2.488e-02 -6.999e-03 / CHEB/ -3.592e-03 1.204e-01 4.257e-02 -1.137e-02 / CHEB/ -1.623e-02 -2.414e-02 4.271e-02 -4.773e-04 / CHEB/ 2.418e-02 -5.763e-02 1.985e-02 7.789e-03 /

952.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+0.1	+1.9	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-5.0	-0.6	+1.7	+3.3

Chebyshev(coeffs=[[3.21146,-1.91328,-0.21225,0.0414848],[4.6622,1.33635,-0.0625419,-0.0727595],[0.934401,0.555648,0.163019,-0.0145414],[0.207441,0.0855485,0.0851696,0.00976931],[0.118195,-0.045025,0.00386858,0.00139741],[0.0869348,-0.0672601,-0.0225981,-0.00132813]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.55
S298 (cal/mol*K) = -33.92
G298 (kcal/mol) = -13.44

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(90); C5H6(62), C7H10(90); C2H4(115)+C5H6(62)(+M)=>C7H10(90)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.211e+00 -1.913e+00 -2.122e-01 4.148e-02 / CHEB/ 4.662e+00 1.336e+00 -6.254e-02 -7.276e-02 / CHEB/ 9.344e-01 5.556e-01 1.630e-01 -1.454e-02 / CHEB/ 2.074e-01 8.555e-02 8.517e-02 9.769e-03 / CHEB/ 1.182e-01 -4.503e-02 3.869e-03 1.397e-03 / CHEB/ 8.693e-02 -6.726e-02 -2.260e-02 -1.328e-03 /

953.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-2.3	+0.2	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-2.6	+0.1	+1.5

Chebyshev(coeffs=[[-2.52212,-0.864353,-0.152431,0.00113677],[9.42289,0.586736,-0.0327235,-0.0489416],[0.54958,0.199607,0.0739484,-0.00901932],[0.0690641,-0.0026242,0.044583,0.0126079],[-0.00209097,-0.0252943,0.00885806,0.0133962],[-0.00586139,-0.00920975,-0.0049516,0.00446778]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.11
S298 (cal/mol*K) = -32.23
G298 (kcal/mol) = 13.72

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(91); C5H6(62), C7H10(91); C2H4(115)+C5H6(62)(+M)=>C7H10(91)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.522e+00 -8.644e-01 -1.524e-01 1.137e-03 / CHEB/ 9.423e+00 5.867e-01 -3.272e-02 -4.894e-02 / CHEB/ 5.496e-01 1.996e-01 7.395e-02 -9.019e-03 / CHEB/ 6.906e-02 -2.624e-03 4.458e-02 1.261e-02 / CHEB/ -2.091e-03 -2.529e-02 8.858e-03 1.340e-02 / CHEB/ -5.861e-03 -9.210e-03 -4.952e-03 4.468e-03 /

954.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.5	+2.5	+3.1	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+2.0	+2.8	+3.1

Chebyshev(coeffs=[[6.92558,-0.892157,-0.0437136,0.0123487],[2.09284,0.261965,-0.15764,-0.0340313],[0.234737,0.268921,-0.00272792,-0.0183601],[-0.0497407,0.115038,0.0338967,-0.00695373],[-0.0452871,0.0199943,0.0324042,0.00025947],[-0.00845679,-0.0138943,0.0136797,0.00315444]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.46
S298 (cal/mol*K) = -60.65
G298 (kcal/mol) = -34.39

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(33); C5H6(62), C7H10(33); C2H4(115)+C5H6(62)(+M)=>C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.926e+00 -8.922e-01 -4.371e-02 1.235e-02 / CHEB/ 2.093e+00 2.620e-01 -1.576e-01 -3.403e-02 / CHEB/ 2.347e-01 2.689e-01 -2.728e-03 -1.836e-02 / CHEB/ -4.974e-02 1.150e-01 3.390e-02 -6.954e-03 / CHEB/ -4.529e-02 1.999e-02 3.240e-02 2.595e-04 / CHEB/ -8.457e-03 -1.389e-02 1.368e-02 3.154e-03 /

955.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.7	+3.4	+4.1	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+1.1	+2.9	+3.8	+4.4

Chebyshev(coeffs=[[8.0663,-0.88051,-0.0397449,0.011095],[1.96861,0.274214,-0.15391,-0.0369997],[0.28967,0.281159,-0.00200971,-0.0209656],[0.0416435,0.128363,0.034685,-0.00801901],[0.0300034,0.0277059,0.0343147,0.000569321],[0.0319471,-0.014099,0.0158519,0.00435212]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.07
S298 (cal/mol*K) = -38.69
G298 (kcal/mol) = -58.54

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(92); C5H6(62), C7H10(92); C2H4(115)+C5H6(62)(+M)=>C7H10(92)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.066e+00 -8.805e-01 -3.974e-02 1.109e-02 / CHEB/ 1.969e+00 2.742e-01 -1.539e-01 -3.700e-02 / CHEB/ 2.897e-01 2.812e-01 -2.010e-03 -2.097e-02 / CHEB/ 4.164e-02 1.284e-01 3.469e-02 -8.019e-03 / CHEB/ 3.000e-02 2.771e-02 3.431e-02 5.693e-04 / CHEB/ 3.195e-02 -1.410e-02 1.585e-02 4.352e-03 /

956.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.6	+4.8	+4.5	+3.9
log₁₀(k(10 bar)/[mole,m,s])	+3.0	+4.5	+4.6	+4.3

Chebyshev(coeffs=[[9.33885,-0.359173,-0.191343,0.0508172],[0.970213,0.792966,-0.202937,-0.0513295],[-0.27016,0.454364,0.0229917,-0.0271404],[-0.255674,0.134638,0.0578187,0.00150035],[-0.12827,0.00221812,0.0358531,0.00927029],[-0.0365196,-0.0204091,0.00676995,0.00316356]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -90.51
S298 (cal/mol*K) = -47.52
G298 (kcal/mol) = -76.35

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(93); C5H6(62), C7H10(93); C2H4(115)+C5H6(62)(+M)=>C7H10(93)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.339e+00 -3.592e-01 -1.913e-01 5.082e-02 / CHEB/ 9.702e-01 7.930e-01 -2.029e-01 -5.133e-02 / CHEB/ -2.702e-01 4.544e-01 2.299e-02 -2.714e-02 / CHEB/ -2.557e-01 1.346e-01 5.782e-02 1.500e-03 / CHEB/ -1.283e-01 2.218e-03 3.585e-02 9.270e-03 / CHEB/ -3.652e-02 -2.041e-02 6.770e-03 3.164e-03 /

957.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-2.7	-0.8	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-8.8	-3.2	-1.0	+0.1

Chebyshev(coeffs=[[-0.787776,-1.49515,-0.11219,0.0680841],[6.11757,1.13125,-0.071737,-0.107385],[0.716071,0.245252,0.0375384,-0.0170007],[0.0214587,0.0369851,0.0458225,0.00700012],[-0.00570778,-0.0233434,0.0187824,0.00459458],[0.00329245,-0.0284806,0.00487881,0.00786629]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.00
S298 (cal/mol*K) = -35.62
G298 (kcal/mol) = 9.62

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(54); C5H6(62), C7H10(54); C2H4(115)+C5H6(62)(+M)=>C7H10(54)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.878e-01 -1.495e+00 -1.122e-01 6.808e-02 / CHEB/ 6.118e+00 1.131e+00 -7.174e-02 -1.074e-01 / CHEB/ 7.161e-01 2.453e-01 3.754e-02 -1.700e-02 / CHEB/ 2.146e-02 3.699e-02 4.582e-02 7.000e-03 / CHEB/ -5.708e-03 -2.334e-02 1.878e-02 4.595e-03 / CHEB/ 3.292e-03 -2.848e-02 4.879e-03 7.866e-03 /

958.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-1.4	+1.5	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-9.8	-1.7	+1.4	+2.9

Chebyshev(coeffs=[[-2.0626,-0.843583,-0.160446,0.00150756],[10.2342,0.595233,-0.0162651,-0.0509361],[0.665066,0.189643,0.0787763,-0.00590476],[0.105495,-0.00938623,0.0418931,0.0151321],[0.0102356,-0.0256538,0.00574835,0.013292],[-0.00328257,-0.00774312,-0.00575541,0.00351285]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.47
S298 (cal/mol*K) = -5.06
G298 (kcal/mol) = 16.98

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(94); C2H4(115), CH2(T)(82); C2H4(115)+C5H6(62)(+M)=>C6H8(94)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.063e+00 -8.436e-01 -1.604e-01 1.508e-03 / CHEB/ 1.023e+01 5.952e-01 -1.627e-02 -5.094e-02 / CHEB/ 6.651e-01 1.896e-01 7.878e-02 -5.905e-03 / CHEB/ 1.055e-01 -9.386e-03 4.189e-02 1.513e-02 / CHEB/ 1.024e-02 -2.565e-02 5.748e-03 1.329e-02 / CHEB/ -3.283e-03 -7.743e-03 -5.755e-03 3.513e-03 /

959.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.5	-3.1	+0.3	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-3.4	+0.2	+2.0

Chebyshev(coeffs=[[-4.84364,-1.49126,-0.0654485,0.0090013],[11.8129,1.66003,-0.110018,-0.0761935],[1.06119,-0.224679,0.0420298,0.0200812],[-0.0181232,-0.0922132,0.127557,0.0239973],[-0.0214656,0.08836,-0.0292678,-0.0111812],[-0.020619,-0.0126631,-0.0354996,0.0154233]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.31
S298 (cal/mol*K) = -30.04
G298 (kcal/mol) = 5.64

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(95); C5H6(62), C7H10(95); C2H4(115)+C5H6(62)(+M)=>C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.844e+00 -1.491e+00 -6.545e-02 9.001e-03 / CHEB/ 1.181e+01 1.660e+00 -1.100e-01 -7.619e-02 / CHEB/ 1.061e+00 -2.247e-01 4.203e-02 2.008e-02 / CHEB/ -1.812e-02 -9.221e-02 1.276e-01 2.400e-02 / CHEB/ -2.147e-02 8.836e-02 -2.927e-02 -1.118e-02 / CHEB/ -2.062e-02 -1.266e-02 -3.550e-02 1.542e-02 /

960.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-3.0	-0.0	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-3.4	-0.1	+1.6

Chebyshev(coeffs=[[-1.30211,-2.05651,-0.0566146,0.0212743],[7.18092,1.67242,-0.0889898,-0.0336979],[1.45536,0.655841,0.0515858,-0.0450142],[0.217937,-0.145714,0.0184708,-0.0101572],[0.0445699,-0.249289,0.00522913,0.0325136],[0.0187582,-0.0590159,0.0153458,0.0271457]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.51
S298 (cal/mol*K) = -31.14
G298 (kcal/mol) = -3.23

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(96); C5H6(62), C7H10(96); C2H4(115)+C5H6(62)(+M)=>C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.302e+00 -2.057e+00 -5.661e-02 2.127e-02 / CHEB/ 7.181e+00 1.672e+00 -8.899e-02 -3.370e-02 / CHEB/ 1.455e+00 6.558e-01 5.159e-02 -4.501e-02 / CHEB/ 2.179e-01 -1.457e-01 1.847e-02 -1.016e-02 / CHEB/ 4.457e-02 -2.493e-01 5.229e-03 3.251e-02 / CHEB/ 1.876e-02 -5.902e-02 1.535e-02 2.715e-02 /

961.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-0.7	+1.6	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-1.0	+1.4	+2.7

Chebyshev(coeffs=[[0.583478,-1.0248,-0.0347267,-0.0297129],[7.2574,0.756932,-0.205409,0.00164485],[0.796994,0.140295,0.117396,-0.0267187],[0.0514173,0.0511836,0.0422991,0.00186704],[0.00543036,-0.0362384,0.0165242,0.0183785],[0.000813702,-0.0158464,-0.00112703,0.00480541]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.51
S298 (cal/mol*K) = -31.14
G298 (kcal/mol) = -3.23

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(97); C5H6(62), C7H10(97); C2H4(115)+C5H6(62)(+M)=>C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.835e-01 -1.025e+00 -3.473e-02 -2.971e-02 / CHEB/ 7.257e+00 7.569e-01 -2.054e-01 1.645e-03 / CHEB/ 7.970e-01 1.403e-01 1.174e-01 -2.672e-02 / CHEB/ 5.142e-02 5.118e-02 4.230e-02 1.867e-03 / CHEB/ 5.430e-03 -3.624e-02 1.652e-02 1.838e-02 / CHEB/ 8.137e-04 -1.585e-02 -1.127e-03 4.805e-03 /

962.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.3	+0.4	+2.2	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-5.0	-0.1	+2.0	+3.0

Chebyshev(coeffs=[[2.75654,-0.873304,-0.0635805,0.00271804],[5.43707,0.391468,-0.138378,-0.0384667],[0.815646,0.298596,0.0330364,-0.0147164],[0.0492741,0.0725678,0.0529344,-0.00231824],[-0.0172355,-0.0179586,0.0310652,0.00698234],[-0.000224179,-0.0244276,0.00476881,0.00758986]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.11
S298 (cal/mol*K) = -30.46
G298 (kcal/mol) = 7.97

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(37); C5H6(62), C7H10(37); C2H4(115)+C5H6(62)(+M)=>C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.757e+00 -8.733e-01 -6.358e-02 2.718e-03 / CHEB/ 5.437e+00 3.915e-01 -1.384e-01 -3.847e-02 / CHEB/ 8.156e-01 2.986e-01 3.304e-02 -1.472e-02 / CHEB/ 4.927e-02 7.257e-02 5.293e-02 -2.318e-03 / CHEB/ -1.724e-02 -1.796e-02 3.107e-02 6.982e-03 / CHEB/ -2.242e-04 -2.443e-02 4.769e-03 7.590e-03 /

963.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-5.3	-3.6	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-5.8	-3.8	-2.9

Chebyshev(coeffs=[[-3.06763,-0.895036,-0.0716639,0.00134637],[5.5361,0.377022,-0.145403,-0.0392008],[0.723299,0.282091,0.0253817,-0.01715],[-0.00101855,0.0658122,0.0470279,-0.00542731],[-0.0428292,-0.0168067,0.028665,0.00501424],[-0.0146041,-0.0226853,0.00474485,0.00676457]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.62
S298 (cal/mol*K) = -42.39
G298 (kcal/mol) = 16.25

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(24); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>C7H9(24)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.068e+00 -8.950e-01 -7.166e-02 1.346e-03 / CHEB/ 5.536e+00 3.770e-01 -1.454e-01 -3.920e-02 / CHEB/ 7.233e-01 2.821e-01 2.538e-02 -1.715e-02 / CHEB/ -1.019e-03 6.581e-02 4.703e-02 -5.427e-03 / CHEB/ -4.283e-02 -1.681e-02 2.866e-02 5.014e-03 / CHEB/ -1.460e-02 -2.269e-02 4.745e-03 6.765e-03 /

964.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.9	+0.5	+1.7	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-3.5	-0.0	+1.4	+2.0

Chebyshev(coeffs=[[3.87993,-0.895983,-0.04916,0.0101153],[3.73465,0.261556,-0.16191,-0.0367088],[0.473306,0.263752,-0.00421226,-0.0197283],[-0.0267745,0.106663,0.0323377,-0.00822438],[-0.0521313,0.0138026,0.0305465,-0.000463118],[-0.0162338,-0.0165043,0.0120661,0.00300892]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.87
S298 (cal/mol*K) = -31.48
G298 (kcal/mol) = -7.49

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(5); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>C7H9(5)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.880e+00 -8.960e-01 -4.916e-02 1.012e-02 / CHEB/ 3.735e+00 2.616e-01 -1.619e-01 -3.671e-02 / CHEB/ 4.733e-01 2.638e-01 -4.212e-03 -1.973e-02 / CHEB/ -2.677e-02 1.067e-01 3.234e-02 -8.224e-03 / CHEB/ -5.213e-02 1.380e-02 3.055e-02 -4.631e-04 / CHEB/ -1.623e-02 -1.650e-02 1.207e-02 3.009e-03 /

965.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-7.6	-5.3	-4.2
log₁₀(k(10 bar)/[mole,m,s])	-14.5	-8.1	-5.5	-4.3

Chebyshev(coeffs=[[-6.70111,-0.913208,-0.0981124,-0.00439293],[7.64393,0.484916,-0.116208,-0.0368304],[0.773745,0.255532,0.044137,-0.018363],[0.047149,0.0343636,0.0499377,-0.00129018],[-0.0248501,-0.0257938,0.0221119,0.0095207],[-0.0126675,-0.0192405,-0.000169516,0.00724594]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.17
S298 (cal/mol*K) = -44.11
G298 (kcal/mol) = 27.31

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(26); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(26)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.701e+00 -9.132e-01 -9.811e-02 -4.393e-03 / CHEB/ 7.644e+00 4.849e-01 -1.162e-01 -3.683e-02 / CHEB/ 7.737e-01 2.555e-01 4.414e-02 -1.836e-02 / CHEB/ 4.715e-02 3.436e-02 4.994e-02 -1.290e-03 / CHEB/ -2.485e-02 -2.579e-02 2.211e-02 9.521e-03 / CHEB/ -1.267e-02 -1.924e-02 -1.695e-04 7.246e-03 /

966.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.3	-5.1	-3.1	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-5.5	-3.3	-2.2

Chebyshev(coeffs=[[-3.18974,-0.897579,-0.0751614,0.000253525],[6.15151,0.39326,-0.141921,-0.0388262],[0.80877,0.280348,0.0286363,-0.0171234],[0.0250424,0.0602447,0.0478506,-0.00505877],[-0.0330284,-0.0188199,0.0278685,0.00577186],[-0.0119699,-0.0223873,0.0038944,0.00699508]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.97
S298 (cal/mol*K) = -45.21
G298 (kcal/mol) = 18.44

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(27); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.190e+00 -8.976e-01 -7.516e-02 2.535e-04 / CHEB/ 6.152e+00 3.933e-01 -1.419e-01 -3.883e-02 / CHEB/ 8.088e-01 2.803e-01 2.864e-02 -1.712e-02 / CHEB/ 2.504e-02 6.024e-02 4.785e-02 -5.059e-03 / CHEB/ -3.303e-02 -1.882e-02 2.787e-02 5.772e-03 / CHEB/ -1.197e-02 -2.239e-02 3.894e-03 6.995e-03 /

967.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	+0.7	+1.9	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-2.6	+0.1	+1.6	+2.4

Chebyshev(coeffs=[[4.65156,-0.896188,-0.0507262,0.00576187],[3.08562,0.232667,-0.179727,-0.0479496],[0.52316,0.258565,-0.0216223,-0.0299391],[0.128407,0.126471,0.0288241,-0.0109972],[0.0337236,0.028288,0.0388244,0.00318461],[-0.00365954,-0.0226736,0.0220346,0.00988589]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -39.61
S298 (cal/mol*K) = -50.57
G298 (kcal/mol) = -24.54

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(28); C5H6(62), C7H10(28); C2H4(115)+C5H6(62)(+M)=>C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.652e+00 -8.962e-01 -5.073e-02 5.762e-03 / CHEB/ 3.086e+00 2.327e-01 -1.797e-01 -4.795e-02 / CHEB/ 5.232e-01 2.586e-01 -2.162e-02 -2.994e-02 / CHEB/ 1.284e-01 1.265e-01 2.882e-02 -1.100e-02 / CHEB/ 3.372e-02 2.829e-02 3.882e-02 3.185e-03 / CHEB/ -3.660e-03 -2.267e-02 2.203e-02 9.886e-03 /

968.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+0.5	+1.7	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-3.7	-0.0	+1.4	+2.1

Chebyshev(coeffs=[[3.7121,-0.892394,-0.0537633,0.00809436],[3.95122,0.286729,-0.159717,-0.0379949],[0.52356,0.272406,0.00305335,-0.0188901],[-0.0292126,0.098505,0.0371191,-0.00736735],[-0.0563147,0.00448352,0.0310767,0.000758596],[-0.018236,-0.0199426,0.0104196,0.00410262]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.21
S298 (cal/mol*K) = -44.95
G298 (kcal/mol) = -2.82

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(29); C5H6(62), C7H10(29); C2H4(115)+C5H6(62)(+M)=>C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.712e+00 -8.924e-01 -5.376e-02 8.094e-03 / CHEB/ 3.951e+00 2.867e-01 -1.597e-01 -3.799e-02 / CHEB/ 5.236e-01 2.724e-01 3.053e-03 -1.889e-02 / CHEB/ -2.921e-02 9.850e-02 3.712e-02 -7.367e-03 / CHEB/ -5.631e-02 4.484e-03 3.108e-02 7.586e-04 / CHEB/ -1.824e-02 -1.994e-02 1.042e-02 4.103e-03 /

969.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-1.8	-0.1	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-2.3	-0.4	+0.5

Chebyshev(coeffs=[[0.726991,-0.890995,-0.0643498,0.003826],[5.14298,0.341731,-0.152169,-0.0395369],[0.725845,0.282763,0.0176607,-0.0175612],[0.00422062,0.0784691,0.0443968,-0.00612802],[-0.0434317,-0.0107808,0.030144,0.00336215],[-0.0137065,-0.0228088,0.00679321,0.00601907]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.21
S298 (cal/mol*K) = -44.95
G298 (kcal/mol) = -2.82

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(30); C5H6(62), C7H10(30); C2H4(115)+C5H6(62)(+M)=>C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.270e-01 -8.910e-01 -6.435e-02 3.826e-03 / CHEB/ 5.143e+00 3.417e-01 -1.522e-01 -3.954e-02 / CHEB/ 7.258e-01 2.828e-01 1.766e-02 -1.756e-02 / CHEB/ 4.221e-03 7.847e-02 4.440e-02 -6.128e-03 / CHEB/ -4.343e-02 -1.078e-02 3.014e-02 3.362e-03 / CHEB/ -1.371e-02 -2.281e-02 6.793e-03 6.019e-03 /

970.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	+0.2	+1.1	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-3.0	-0.4	+0.8	+1.4

Chebyshev(coeffs=[[4.15247,-0.893612,-0.045891,0.00896953],[2.8622,0.249719,-0.16532,-0.0408121],[0.342807,0.263096,-0.0119967,-0.024358],[0.00103145,0.118673,0.027832,-0.0105047],[-0.0116653,0.0241709,0.0311974,-0.000715386],[0.00914893,-0.0149385,0.0154095,0.00412337]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.76
S298 (cal/mol*K) = -43.23
G298 (kcal/mol) = -13.88

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(31); C5H6(62), C7H10(31); C2H4(115)+C5H6(62)(+M)=>C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.152e+00 -8.936e-01 -4.589e-02 8.970e-03 / CHEB/ 2.862e+00 2.497e-01 -1.653e-01 -4.081e-02 / CHEB/ 3.428e-01 2.631e-01 -1.200e-02 -2.436e-02 / CHEB/ 1.031e-03 1.187e-01 2.783e-02 -1.050e-02 / CHEB/ -1.167e-02 2.417e-02 3.120e-02 -7.154e-04 / CHEB/ 9.149e-03 -1.494e-02 1.541e-02 4.123e-03 /

971.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	-1.9	-1.0	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-5.3	-2.4	-1.3	-0.9

Chebyshev(coeffs=[[1.83326,-0.906066,-0.0425922,0.0139357],[3.14542,0.221409,-0.163269,-0.032695],[0.293136,0.244411,-0.0143269,-0.0196947],[-0.0686913,0.113113,0.0238814,-0.0091277],[-0.0636157,0.0270142,0.0277859,-0.00221751],[-0.021246,-0.00907327,0.0133303,0.000991107]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.06
S298 (cal/mol*K) = -53.66
G298 (kcal/mol) = -13.07

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(32); C5H6(62), C7H10(32); C2H4(115)+C5H6(62)(+M)=>C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.833e+00 -9.061e-01 -4.259e-02 1.394e-02 / CHEB/ 3.145e+00 2.214e-01 -1.633e-01 -3.269e-02 / CHEB/ 2.931e-01 2.444e-01 -1.433e-02 -1.969e-02 / CHEB/ -6.869e-02 1.131e-01 2.388e-02 -9.128e-03 / CHEB/ -6.362e-02 2.701e-02 2.779e-02 -2.218e-03 / CHEB/ -2.125e-02 -9.073e-03 1.333e-02 9.911e-04 /

972.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	-2.5	-1.5	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-3.1	-1.9	-1.4

Chebyshev(coeffs=[[1.11776,-0.902448,-0.0447899,0.0126722],[3.28376,0.234746,-0.163037,-0.0340688],[0.342675,0.251229,-0.0110441,-0.0197023],[-0.0578803,0.111349,0.026825,-0.00879139],[-0.0615799,0.0225671,0.0288982,-0.0016278],[-0.0205666,-0.0118431,0.0130178,0.00167357]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.06
S298 (cal/mol*K) = -55.03
G298 (kcal/mol) = -12.66

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(34); C5H6(62), C7H10(34); C2H4(115)+C5H6(62)(+M)=>C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.118e+00 -9.024e-01 -4.479e-02 1.267e-02 / CHEB/ 3.284e+00 2.347e-01 -1.630e-01 -3.407e-02 / CHEB/ 3.427e-01 2.512e-01 -1.104e-02 -1.970e-02 / CHEB/ -5.788e-02 1.113e-01 2.682e-02 -8.791e-03 / CHEB/ -6.158e-02 2.257e-02 2.890e-02 -1.628e-03 / CHEB/ -2.057e-02 -1.184e-02 1.302e-02 1.674e-03 /

973.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	-0.5	+0.3	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-3.8	-1.0	-0.0	+0.3

Chebyshev(coeffs=[[3.34053,-0.898231,-0.0469993,0.0109441],[2.88593,0.248978,-0.163026,-0.0363353],[0.282454,0.258798,-0.00816448,-0.0204869],[-0.0711079,0.110515,0.0294513,-0.00892527],[-0.0621744,0.018998,0.0299455,-0.00116797],[-0.0182172,-0.0141859,0.0128572,0.00243359]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.76
S298 (cal/mol*K) = -41.86
G298 (kcal/mol) = -14.29

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(35); C5H6(62), C7H10(35); C2H4(115)+C5H6(62)(+M)=>C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.341e+00 -8.982e-01 -4.700e-02 1.094e-02 / CHEB/ 2.886e+00 2.490e-01 -1.630e-01 -3.634e-02 / CHEB/ 2.825e-01 2.588e-01 -8.164e-03 -2.049e-02 / CHEB/ -7.111e-02 1.105e-01 2.945e-02 -8.925e-03 / CHEB/ -6.217e-02 1.900e-02 2.995e-02 -1.168e-03 / CHEB/ -1.822e-02 -1.419e-02 1.286e-02 2.434e-03 /

974.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-0.3	+2.1	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-0.7	+1.9	+3.1

Chebyshev(coeffs=[[0.277839,-0.914877,-0.113453,-0.00442776],[8.19545,0.525643,-0.0973622,-0.0388492],[0.659631,0.237452,0.0512258,-0.0181955],[0.0402163,0.0225303,0.0491722,0.00165155],[-0.0280396,-0.0270063,0.0185008,0.011017],[-0.0161314,-0.0172323,-0.00199029,0.00677075]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.72
S298 (cal/mol*K) = -29.47
G298 (kcal/mol) = 24.50

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(36); C5H6(62), C7H10(36); C2H4(115)+C5H6(62)(+M)=>C7H10(36)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.778e-01 -9.149e-01 -1.135e-01 -4.428e-03 / CHEB/ 8.195e+00 5.256e-01 -9.736e-02 -3.885e-02 / CHEB/ 6.596e-01 2.375e-01 5.123e-02 -1.820e-02 / CHEB/ 4.022e-02 2.253e-02 4.917e-02 1.652e-03 / CHEB/ -2.804e-02 -2.701e-02 1.850e-02 1.102e-02 / CHEB/ -1.613e-02 -1.723e-02 -1.990e-03 6.771e-03 /

975.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	+1.2	+2.4	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-1.9	+1.7	+3.1	+3.6

Chebyshev(coeffs=[[4.6047,1.08384,-0.0647615,0.00191871],[3.57508,0.279286,-0.153427,-0.032483],[0.622576,0.265307,-0.00232383,-0.0192373],[-0.0796938,0.107189,0.035866,-0.00667354],[-0.101187,0.0112421,0.0308451,-4.0264e-05],[-0.0198815,-0.0180309,0.0111469,0.00302015]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.03
S298 (cal/mol*K) = -31.47
G298 (kcal/mol) = -6.65

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(38); C5H6(62), C7H10(38); C2H4(115)+C5H6(62)(+M)=>C7H10(38)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.605e+00 1.084e+00 -6.476e-02 1.919e-03 / CHEB/ 3.575e+00 2.793e-01 -1.534e-01 -3.248e-02 / CHEB/ 6.226e-01 2.653e-01 -2.324e-03 -1.924e-02 / CHEB/ -7.969e-02 1.072e-01 3.587e-02 -6.674e-03 / CHEB/ -1.012e-01 1.124e-02 3.085e-02 -4.026e-05 / CHEB/ -1.988e-02 -1.803e-02 1.115e-02 3.020e-03 /

976.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+2.2	+3.5	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-2.2	+1.6	+3.2	+3.9

Chebyshev(coeffs=[[5.24197,-0.893149,-0.0527023,0.00858545],[4.20541,0.280852,-0.160281,-0.0376698],[0.579896,0.2705,0.0014048,-0.0190299],[-0.009325,0.100378,0.0360938,-0.00752367],[-0.0495208,0.00646518,0.0310028,0.000484054],[-0.0159231,-0.0192939,0.0107916,0.00385182]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.03
S298 (cal/mol*K) = -31.47
G298 (kcal/mol) = -6.65

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(39); C5H6(62), C7H10(39); C2H4(115)+C5H6(62)(+M)=>C7H10(39)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.242e+00 -8.931e-01 -5.270e-02 8.585e-03 / CHEB/ 4.205e+00 2.809e-01 -1.603e-01 -3.767e-02 / CHEB/ 5.799e-01 2.705e-01 1.405e-03 -1.903e-02 / CHEB/ -9.325e-03 1.004e-01 3.609e-02 -7.524e-03 / CHEB/ -4.952e-02 6.465e-03 3.100e-02 4.841e-04 / CHEB/ -1.592e-02 -1.929e-02 1.079e-02 3.852e-03 /

977.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	-0.8	+0.1	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-1.7	-0.3	-0.1

Chebyshev(coeffs=[[0.31566,-2.32019,-0.196118,0.0114063],[6.15365,1.4094,-0.182323,-0.0445805],[0.0535582,0.627543,0.110578,-0.0376915],[-0.388171,0.0617999,0.107223,-0.000502241],[-0.151147,-0.0663237,0.0273702,0.0188879],[-0.0135927,-0.031307,-0.0135778,0.00964812]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.20
S298 (cal/mol*K) = 0.37
G298 (kcal/mol) = 8.09

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C4H5(99); C2H4(115), C3H5(98); C2H4(115)+C5H6(62)(+M)=>C4H5(99)+C3H5(98)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.157e-01 -2.320e+00 -1.961e-01 1.141e-02 / CHEB/ 6.154e+00 1.409e+00 -1.823e-01 -4.458e-02 / CHEB/ 5.356e-02 6.275e-01 1.106e-01 -3.769e-02 / CHEB/ -3.882e-01 6.180e-02 1.072e-01 -5.022e-04 / CHEB/ -1.511e-01 -6.632e-02 2.737e-02 1.889e-02 / CHEB/ -1.359e-02 -3.131e-02 -1.358e-02 9.648e-03 /

978.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+0.8	+1.3	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-5.5	-0.3	+0.8	+0.9

Chebyshev(coeffs=[[2.64051,-2.37016,-0.170738,0.0123438],[4.85955,1.28399,-0.212374,-0.0385832],[0.0670181,0.666753,0.0841106,-0.0347745],[-0.426524,0.110183,0.105943,-0.00775325],[-0.178478,-0.0480642,0.037503,0.0144021],[-0.0243492,-0.0298576,-0.00910566,0.0104944]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H7(210); C2H4(115), C2H3(100); C2H4(115)+C5H6(62)(+M)=>C5H7(210)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.641e+00 -2.370e+00 -1.707e-01 1.234e-02 / CHEB/ 4.860e+00 1.284e+00 -2.124e-01 -3.858e-02 / CHEB/ 6.702e-02 6.668e-01 8.411e-02 -3.477e-02 / CHEB/ -4.265e-01 1.102e-01 1.059e-01 -7.753e-03 / CHEB/ -1.785e-01 -4.806e-02 3.750e-02 1.440e-02 / CHEB/ -2.435e-02 -2.986e-02 -9.106e-03 1.049e-02 /

979.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.9	-6.7	-4.5	-3.5
log₁₀(k(10 bar)/[mole,m,s])	-16.5	-7.3	-4.7	-3.6

Chebyshev(coeffs=[[-8.58749,-1.99734,-0.326713,0.0257061],[11.2174,1.56419,0.010333,-0.0961987],[0.0281917,0.408749,0.171023,-0.0151069],[-0.204368,-0.0754538,0.070405,0.030876],[-0.0580401,-0.0823704,-0.011102,0.0192923],[0.00393714,-0.0116308,-0.0179365,-0.000354711]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.25
S298 (cal/mol*K) = -7.71
G298 (kcal/mol) = 32.54

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(101); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(101)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.587e+00 -1.997e+00 -3.267e-01 2.571e-02 / CHEB/ 1.122e+01 1.564e+00 1.033e-02 -9.620e-02 / CHEB/ 2.819e-02 4.087e-01 1.710e-01 -1.511e-02 / CHEB/ -2.044e-01 -7.545e-02 7.041e-02 3.088e-02 / CHEB/ -5.804e-02 -8.237e-02 -1.110e-02 1.929e-02 / CHEB/ 3.937e-03 -1.163e-02 -1.794e-02 -3.547e-04 /

980.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.9	-6.7	-4.5	-3.5
log₁₀(k(10 bar)/[mole,m,s])	-16.5	-7.3	-4.7	-3.6

H298 (kcal/mol) = 30.25
S298 (cal/mol*K) = -7.71
G298 (kcal/mol) = 32.54

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(102); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(102)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.587e+00 -1.997e+00 -3.267e-01 2.571e-02 / CHEB/ 1.122e+01 1.564e+00 1.033e-02 -9.620e-02 / CHEB/ 2.819e-02 4.087e-01 1.710e-01 -1.511e-02 / CHEB/ -2.044e-01 -7.545e-02 7.041e-02 3.088e-02 / CHEB/ -5.804e-02 -8.237e-02 -1.110e-02 1.929e-02 / CHEB/ 3.937e-03 -1.163e-02 -1.794e-02 -3.547e-04 /

981.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.4	-4.6	-2.1	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-14.9	-5.0	-2.2	-1.1

Chebyshev(coeffs=[[-7.38917,-1.72067,-0.399919,0.0181733],[12.7297,1.45784,0.1453,-0.106696],[-0.185664,0.280637,0.168341,0.0125857],[-0.200689,-0.109305,0.032843,0.0378721],[-0.0507423,-0.0638591,-0.0229016,0.0097119],[-0.00459784,0.00351034,-0.0119315,-0.00518303]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.40
S298 (cal/mol*K) = 8.30
G298 (kcal/mol) = 35.93

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H7(103); C2H4(115), C2H3(100); C2H4(115)+C5H6(62)(+M)=>C5H7(103)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.389e+00 -1.721e+00 -3.999e-01 1.817e-02 / CHEB/ 1.273e+01 1.458e+00 1.453e-01 -1.067e-01 / CHEB/ -1.857e-01 2.806e-01 1.683e-01 1.259e-02 / CHEB/ -2.007e-01 -1.093e-01 3.284e-02 3.787e-02 / CHEB/ -5.074e-02 -6.386e-02 -2.290e-02 9.712e-03 / CHEB/ -4.598e-03 3.510e-03 -1.193e-02 -5.183e-03 /

982.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.1	-3.9	-2.1	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-4.6	-2.3	-1.5

Chebyshev(coeffs=[[-4.68228,-2.1739,-0.263416,0.0199669],[9.43098,1.55641,-0.0893042,-0.0724685],[0.120618,0.512686,0.152548,-0.0312666],[-0.253959,-0.0232443,0.0940067,0.0177298],[-0.0857176,-0.0845887,0.00499089,0.0223731],[0.00341658,-0.024089,-0.0185505,0.00491836]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.05
S298 (cal/mol*K) = -8.81
G298 (kcal/mol) = 23.67

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(104); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(104)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.682e+00 -2.174e+00 -2.634e-01 1.997e-02 / CHEB/ 9.431e+00 1.556e+00 -8.930e-02 -7.247e-02 / CHEB/ 1.206e-01 5.127e-01 1.525e-01 -3.127e-02 / CHEB/ -2.540e-01 -2.324e-02 9.401e-02 1.773e-02 / CHEB/ -8.572e-02 -8.459e-02 4.991e-03 2.237e-02 / CHEB/ 3.417e-03 -2.409e-02 -1.855e-02 4.918e-03 /

983.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.1	-3.9	-2.1	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-4.6	-2.3	-1.5

H298 (kcal/mol) = 21.05
S298 (cal/mol*K) = -8.81
G298 (kcal/mol) = 23.67

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(105); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(105)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.682e+00 -2.174e+00 -2.634e-01 1.997e-02 / CHEB/ 9.431e+00 1.556e+00 -8.930e-02 -7.247e-02 / CHEB/ 1.206e-01 5.127e-01 1.525e-01 -3.127e-02 / CHEB/ -2.540e-01 -2.324e-02 9.401e-02 1.773e-02 / CHEB/ -8.572e-02 -8.459e-02 4.991e-03 2.237e-02 / CHEB/ 3.417e-03 -2.409e-02 -1.855e-02 4.918e-03 /

984.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-6.1	-3.7	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-6.7	-3.9	-2.8

Chebyshev(coeffs=[[-8.35323,-1.94356,-0.343289,0.0257115],[11.7899,1.55188,0.0385671,-0.100636],[0.0345104,0.380831,0.173035,-0.00974471],[-0.185827,-0.0856575,0.0628407,0.0334681],[-0.0499968,-0.0795777,-0.0145165,0.0176681],[0.00427449,-0.00813441,-0.0170829,-0.00166432]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.45
S298 (cal/mol*K) = -8.13
G298 (kcal/mol) = 34.87

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(106); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(106)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.353e+00 -1.944e+00 -3.433e-01 2.571e-02 / CHEB/ 1.179e+01 1.552e+00 3.857e-02 -1.006e-01 / CHEB/ 3.451e-02 3.808e-01 1.730e-01 -9.745e-03 / CHEB/ -1.858e-01 -8.566e-02 6.284e-02 3.347e-02 / CHEB/ -5.000e-02 -7.958e-02 -1.452e-02 1.767e-02 / CHEB/ 4.274e-03 -8.134e-03 -1.708e-02 -1.664e-03 /

985.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-6.1	-3.7	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-6.7	-3.9	-2.8

H298 (kcal/mol) = 32.45
S298 (cal/mol*K) = -8.13
G298 (kcal/mol) = 34.87

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(107); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(107)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.353e+00 -1.944e+00 -3.433e-01 2.571e-02 / CHEB/ 1.179e+01 1.552e+00 3.857e-02 -1.006e-01 / CHEB/ 3.451e-02 3.808e-01 1.730e-01 -9.745e-03 / CHEB/ -1.858e-01 -8.566e-02 6.284e-02 3.347e-02 / CHEB/ -5.000e-02 -7.958e-02 -1.452e-02 1.767e-02 / CHEB/ 4.274e-03 -8.134e-03 -1.708e-02 -1.664e-03 /

986.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	+2.1	+3.8	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-4.1	+1.4	+3.5	+4.2

Chebyshev(coeffs=[[4.66661,-2.15251,-0.123177,-0.0103217],[4.81223,1.372,-0.186016,-0.063671],[0.945722,0.685324,0.0525053,-0.0135598],[-0.0179546,0.0245332,0.0823272,0.0128784],[-0.113265,-0.175418,0.0316795,0.0159529],[-0.0449607,-0.0980192,-0.00852611,0.00423783]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.86
S298 (cal/mol*K) = -34.65
G298 (kcal/mol) = -25.53

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(108); C5H6(62), C7H10(108); C2H4(115)+C5H6(62)(+M)=>C7H10(108)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.667e+00 -2.153e+00 -1.232e-01 -1.032e-02 / CHEB/ 4.812e+00 1.372e+00 -1.860e-01 -6.367e-02 / CHEB/ 9.457e-01 6.853e-01 5.251e-02 -1.356e-02 / CHEB/ -1.795e-02 2.453e-02 8.233e-02 1.288e-02 / CHEB/ -1.133e-01 -1.754e-01 3.168e-02 1.595e-02 / CHEB/ -4.496e-02 -9.802e-02 -8.526e-03 4.238e-03 /

987.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-1.2	-0.1	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-8.5	-2.1	-0.5	-0.2

Chebyshev(coeffs=[[-0.205835,-2.33209,-0.189823,0.0112911],[6.42648,1.38295,-0.190153,-0.0428057],[0.18688,0.638375,0.104808,-0.0372492],[-0.3609,0.0724459,0.107407,-0.00236455],[-0.144939,-0.0627323,0.029797,0.0180067],[-0.0114304,-0.0312811,-0.0126599,0.00994745]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.77
S298 (cal/mol*K) = -24.17
G298 (kcal/mol) = 7.97

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(109); C5H6(62), C7H10(109); C2H4(115)+C5H6(62)(+M)=>C7H10(109)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.058e-01 -2.332e+00 -1.898e-01 1.129e-02 / CHEB/ 6.426e+00 1.383e+00 -1.902e-01 -4.281e-02 / CHEB/ 1.869e-01 6.384e-01 1.048e-01 -3.725e-02 / CHEB/ -3.609e-01 7.245e-02 1.074e-01 -2.365e-03 / CHEB/ -1.449e-01 -6.273e-02 2.980e-02 1.801e-02 / CHEB/ -1.143e-02 -3.128e-02 -1.266e-02 9.947e-03 /

988.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-6.9	-5.7	-5.4
log₁₀(k(10 bar)/[mole,m,s])	-14.5	-7.8	-6.1	-5.6

Chebyshev(coeffs=[[-6.27712,-2.31137,-0.200733,0.0116249],[7.01929,1.42703,-0.17646,-0.0460317],[0.192308,0.619452,0.114549,-0.0378771],[-0.338406,0.054405,0.106925,0.000863536],[-0.132759,-0.0686718,0.0256294,0.0194544],[-0.00719553,-0.0312192,-0.0141862,0.00940284]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.42
S298 (cal/mol*K) = -30.28
G298 (kcal/mol) = -3.40

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(110); C5H6(62), C7H10(110); C2H4(115)+C5H6(62)(+M)=>C7H10(110)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.277e+00 -2.311e+00 -2.007e-01 1.162e-02 / CHEB/ 7.019e+00 1.427e+00 -1.765e-01 -4.603e-02 / CHEB/ 1.923e-01 6.195e-01 1.145e-01 -3.788e-02 / CHEB/ -3.384e-01 5.440e-02 1.069e-01 8.635e-04 / CHEB/ -1.328e-01 -6.867e-02 2.563e-02 1.945e-02 / CHEB/ -7.196e-03 -3.122e-02 -1.419e-02 9.403e-03 /

989.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-2.4	-1.3	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-3.5	-1.8	-1.4

Chebyshev(coeffs=[[-1.3073,-2.40349,-0.200259,-0.000426448],[6.21811,1.33258,-0.189389,-0.0303763],[0.287873,0.643876,0.0783488,-0.0403845],[-0.345942,0.102807,0.104128,-0.00775526],[-0.153076,-0.0470993,0.0375149,0.0159216],[-0.0166658,-0.0284954,-0.00838605,0.0111181]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.97
S298 (cal/mol*K) = -24.59
G298 (kcal/mol) = 10.30

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(111); C5H6(62), C7H10(111); C2H4(115)+C5H6(62)(+M)=>C7H10(111)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.307e+00 -2.403e+00 -2.003e-01 -4.264e-04 / CHEB/ 6.218e+00 1.333e+00 -1.894e-01 -3.038e-02 / CHEB/ 2.879e-01 6.439e-01 7.835e-02 -4.038e-02 / CHEB/ -3.459e-01 1.028e-01 1.041e-01 -7.755e-03 / CHEB/ -1.531e-01 -4.710e-02 3.751e-02 1.592e-02 / CHEB/ -1.667e-02 -2.850e-02 -8.386e-03 1.112e-02 /

990.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	-0.6	+0.6	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-1.3	+0.4	+1.1

Chebyshev(coeffs=[[1.23107,-1.83764,-0.292496,0.0194321],[5.57946,1.24353,-0.0310653,-0.0891449],[0.50326,0.455533,0.157673,0.00468367],[-0.200551,0.0328128,0.0794589,0.0229068],[-0.0760204,-0.0336044,0.0163205,0.0115968],[0.037895,0.0001323,-0.000566604,0.00272246]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.96
S298 (cal/mol*K) = -28.33
G298 (kcal/mol) = 2.48

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(112); C5H6(62), C7H10(112); C2H4(115)+C5H6(62)(+M)=>C7H10(112)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.231e+00 -1.838e+00 -2.925e-01 1.943e-02 / CHEB/ 5.579e+00 1.244e+00 -3.107e-02 -8.914e-02 / CHEB/ 5.033e-01 4.555e-01 1.577e-01 4.684e-03 / CHEB/ -2.006e-01 3.281e-02 7.946e-02 2.291e-02 / CHEB/ -7.602e-02 -3.360e-02 1.632e-02 1.160e-02 / CHEB/ 3.789e-02 1.323e-04 -5.666e-04 2.722e-03 /

991.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-2.9	-1.2	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-8.7	-3.9	-1.4	+0.3

Chebyshev(coeffs=[[-0.106876,-2.28536,-0.0970134,0.0200658],[5.12205,1.3868,-0.144841,-0.0272704],[0.845709,0.851707,0.107385,-0.027611],[0.114909,0.231951,0.115089,-0.0127902],[0.153705,-0.0583639,0.0303173,0.00646101],[0.17202,-0.127149,-0.0383679,0.00845371]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.55
S298 (cal/mol*K) = -33.31
G298 (kcal/mol) = -4.62

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(113); C5H6(62), C7H10(113); C2H4(115)+C5H6(62)(+M)=>C7H10(113)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.069e-01 -2.285e+00 -9.701e-02 2.007e-02 / CHEB/ 5.122e+00 1.387e+00 -1.448e-01 -2.727e-02 / CHEB/ 8.457e-01 8.517e-01 1.074e-01 -2.761e-02 / CHEB/ 1.149e-01 2.320e-01 1.151e-01 -1.279e-02 / CHEB/ 1.537e-01 -5.836e-02 3.032e-02 6.461e-03 / CHEB/ 1.720e-01 -1.271e-01 -3.837e-02 8.454e-03 /

992.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.6	-1.9	-1.0	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-8.3	-3.0	-1.6	-1.3

Chebyshev(coeffs=[[0.0840473,-2.39247,-0.151233,0.0142113],[4.91484,1.20085,-0.224317,-0.0363053],[0.3101,0.691706,0.0659855,-0.0317859],[-0.356855,0.150864,0.103949,-0.0107315],[-0.17049,-0.0341431,0.0443644,0.0107587],[-0.0219597,-0.0302648,-0.00567998,0.0104581]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.82
S298 (cal/mol*K) = -29.53
G298 (kcal/mol) = -8.02

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(114); C5H6(62), C7H10(114); C2H4(115)+C5H6(62)(+M)=>C7H10(114)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.405e-02 -2.392e+00 -1.512e-01 1.421e-02 / CHEB/ 4.915e+00 1.201e+00 -2.243e-01 -3.631e-02 / CHEB/ 3.101e-01 6.917e-01 6.599e-02 -3.179e-02 / CHEB/ -3.569e-01 1.509e-01 1.039e-01 -1.073e-02 / CHEB/ -1.705e-01 -3.414e-02 4.436e-02 1.076e-02 / CHEB/ -2.196e-02 -3.026e-02 -5.680e-03 1.046e-02 /

993.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.5	+2.6	+3.6	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+1.8	+3.2	+3.4

Chebyshev(coeffs=[[5.06422,-2.03256,-0.240157,0.0274875],[4.39849,1.21325,-0.124467,-0.0835491],[0.466297,0.524569,0.116267,-0.0167234],[-0.220427,0.0568593,0.0826701,0.0142027],[-0.171657,-0.0622793,0.0227333,0.0116937],[-0.0509686,-0.0360612,-0.0066572,0.00233867]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.22
S298 (cal/mol*K) = -30.70
G298 (kcal/mol) = -1.07

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(115); C5H6(62), C7H10(115); C2H4(115)+C5H6(62)(+M)=>C7H10(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.064e+00 -2.033e+00 -2.402e-01 2.749e-02 / CHEB/ 4.398e+00 1.213e+00 -1.245e-01 -8.355e-02 / CHEB/ 4.663e-01 5.246e-01 1.163e-01 -1.672e-02 / CHEB/ -2.204e-01 5.686e-02 8.267e-02 1.420e-02 / CHEB/ -1.717e-01 -6.228e-02 2.273e-02 1.169e-02 / CHEB/ -5.097e-02 -3.606e-02 -6.657e-03 2.339e-03 /

994.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-3.2	-1.1	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-4.1	-1.4	+0.6

Chebyshev(coeffs=[[-0.730511,-2.25945,-0.108249,0.0187131],[5.83362,1.44818,-0.138505,-0.0277777],[0.934846,0.830982,0.120781,-0.0269951],[0.148319,0.184777,0.117532,-0.00901205],[0.188897,-0.0820605,0.0262436,0.0100053],[0.197936,-0.126598,-0.0385402,0.00860287]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.16
S298 (cal/mol*K) = -29.43
G298 (kcal/mol) = -6.39

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(116); C5H6(62), C7H10(116); C2H4(115)+C5H6(62)(+M)=>C7H10(116)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.305e-01 -2.259e+00 -1.082e-01 1.871e-02 / CHEB/ 5.834e+00 1.448e+00 -1.385e-01 -2.778e-02 / CHEB/ 9.348e-01 8.310e-01 1.208e-01 -2.700e-02 / CHEB/ 1.483e-01 1.848e-01 1.175e-01 -9.012e-03 / CHEB/ 1.889e-01 -8.206e-02 2.624e-02 1.001e-02 / CHEB/ 1.979e-01 -1.266e-01 -3.854e-02 8.603e-03 /

995.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-2.2	-0.8	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-3.0	-1.1	+0.2

Chebyshev(coeffs=[[0.708777,-1.92078,-0.240555,0.0309444],[4.54794,1.282,-0.074642,-0.0808471],[0.712077,0.518034,0.165459,-0.00397835],[0.0426217,0.0892541,0.0970879,0.0222035],[0.0694597,-0.00653751,0.0212541,0.00697427],[0.124905,-0.00880638,-0.0071236,-0.0048857]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.02
S298 (cal/mol*K) = -33.71
G298 (kcal/mol) = -4.97

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(117); C5H6(62), C7H10(117); C2H4(115)+C5H6(62)(+M)=>C7H10(117)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.088e-01 -1.921e+00 -2.406e-01 3.094e-02 / CHEB/ 4.548e+00 1.282e+00 -7.464e-02 -8.085e-02 / CHEB/ 7.121e-01 5.180e-01 1.655e-01 -3.978e-03 / CHEB/ 4.262e-02 8.925e-02 9.709e-02 2.220e-02 / CHEB/ 6.946e-02 -6.538e-03 2.125e-02 6.974e-03 / CHEB/ 1.249e-01 -8.806e-03 -7.124e-03 -4.886e-03 /

996.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	-0.9	+1.0	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-6.2	-1.6	+0.8	+2.4

Chebyshev(coeffs=[[2.03415,-1.91667,-0.2295,0.0345745],[4.92447,1.33279,-0.0649444,-0.0793939],[0.934906,0.549172,0.170497,-0.0107528],[0.210349,0.0922223,0.092985,0.0147436],[0.12988,-0.0377881,0.00782806,0.00407311],[0.0871255,-0.0740083,-0.0263779,-0.0017029]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.16
S298 (cal/mol*K) = -29.43
G298 (kcal/mol) = -6.39

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(118); C5H6(62), C7H10(118); C2H4(115)+C5H6(62)(+M)=>C7H10(118)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.034e+00 -1.917e+00 -2.295e-01 3.457e-02 / CHEB/ 4.924e+00 1.333e+00 -6.494e-02 -7.939e-02 / CHEB/ 9.349e-01 5.492e-01 1.705e-01 -1.075e-02 / CHEB/ 2.103e-01 9.222e-02 9.298e-02 1.474e-02 / CHEB/ 1.299e-01 -3.779e-02 7.828e-03 4.073e-03 / CHEB/ 8.713e-02 -7.401e-02 -2.638e-02 -1.703e-03 /

997.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	-0.7	+1.4	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-1.2	+1.2	+2.5

Chebyshev(coeffs=[[1.75727,-1.35495,-0.0713602,0.0342281],[5.45937,0.937058,-0.178597,-0.0972769],[1.09556,0.314288,0.0717582,-0.0116379],[0.139119,-0.00144469,0.059174,0.0109993],[-0.00699723,-0.0551017,0.0226749,0.0111273],[0.0104969,-0.0313808,-0.00184865,0.00714416]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.82
S298 (cal/mol*K) = -34.13
G298 (kcal/mol) = -2.65

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(119); C5H6(62), C7H10(119); C2H4(115)+C5H6(62)(+M)=>C7H10(119)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.757e+00 -1.355e+00 -7.136e-02 3.423e-02 / CHEB/ 5.459e+00 9.371e-01 -1.786e-01 -9.728e-02 / CHEB/ 1.096e+00 3.143e-01 7.176e-02 -1.164e-02 / CHEB/ 1.391e-01 -1.445e-03 5.917e-02 1.100e-02 / CHEB/ -6.997e-03 -5.510e-02 2.267e-02 1.113e-02 / CHEB/ 1.050e-02 -3.138e-02 -1.849e-03 7.144e-03 /

998.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	-1.0	+1.4	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-7.7	-1.4	+1.3	+2.6

Chebyshev(coeffs=[[0.604427,-1.21516,-0.100009,-0.00406343],[6.75791,0.886728,-0.139263,-0.0557462],[1.188,0.25192,0.0871257,-0.0058659],[0.0937263,-0.0162556,0.0620815,0.00980223],[-0.0191276,-0.0467618,0.0181915,0.0139145],[-0.0179281,-0.0169267,-0.00598377,0.00772516]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.76
S298 (cal/mol*K) = -28.75
G298 (kcal/mol) = 4.81

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(120); C5H6(62), C7H10(120); C2H4(115)+C5H6(62)(+M)=>C7H10(120)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.044e-01 -1.215e+00 -1.000e-01 -4.063e-03 / CHEB/ 6.758e+00 8.867e-01 -1.393e-01 -5.575e-02 / CHEB/ 1.188e+00 2.519e-01 8.713e-02 -5.866e-03 / CHEB/ 9.373e-02 -1.626e-02 6.208e-02 9.802e-03 / CHEB/ -1.913e-02 -4.676e-02 1.819e-02 1.391e-02 / CHEB/ -1.793e-02 -1.693e-02 -5.984e-03 7.725e-03 /

999.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-2.9	-2.5	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-8.4	-4.2	-3.2	-3.2

Chebyshev(coeffs=[[-0.237712,-2.47538,-0.137006,0.0189501],[3.71647,1.03071,-0.239854,-0.0302516],[0.134412,0.66069,0.0330259,-0.0286296],[-0.373949,0.196052,0.0905097,-0.0140838],[-0.198124,0.0018428,0.0503603,0.00487322],[-0.0347439,-0.0184863,0.00140685,0.00871868]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -88.08
S298 (cal/mol*K) = -55.48
G298 (kcal/mol) = -71.55

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(121); C5H6(62), C7H10(121); C2H4(115)+C5H6(62)(+M)=>C7H10(121)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.377e-01 -2.475e+00 -1.370e-01 1.895e-02 / CHEB/ 3.716e+00 1.031e+00 -2.399e-01 -3.025e-02 / CHEB/ 1.344e-01 6.607e-01 3.303e-02 -2.863e-02 / CHEB/ -3.739e-01 1.961e-01 9.051e-02 -1.408e-02 / CHEB/ -1.981e-01 1.843e-03 5.036e-02 4.873e-03 / CHEB/ -3.474e-02 -1.849e-02 1.407e-03 8.719e-03 /

1000.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+2.5	+3.7	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-4.9	+1.5	+3.2	+3.7

Chebyshev(coeffs=[[3.48841,-2.33407,-0.181524,0.0110928],[6.44706,1.36425,-0.196191,-0.0416563],[0.296681,0.654209,0.101338,-0.0362902],[-0.344706,0.0812423,0.108335,-0.00373515],[-0.140482,-0.06184,0.0318218,0.0173623],[-0.00978076,-0.0326085,-0.0122224,0.0102772]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.22
S298 (cal/mol*K) = -12.75
G298 (kcal/mol) = 3.58

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(122); C5H6(62), C7H10(122); C2H4(115)+C5H6(62)(+M)=>C7H10(122)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.488e+00 -2.334e+00 -1.815e-01 1.109e-02 / CHEB/ 6.447e+00 1.364e+00 -1.962e-01 -4.166e-02 / CHEB/ 2.967e-01 6.542e-01 1.013e-01 -3.629e-02 / CHEB/ -3.447e-01 8.124e-02 1.083e-01 -3.735e-03 / CHEB/ -1.405e-01 -6.184e-02 3.182e-02 1.736e-02 / CHEB/ -9.781e-03 -3.261e-02 -1.222e-02 1.028e-02 /

1001.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+3.1	+4.3	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+2.4	+3.9	+4.4

Chebyshev(coeffs=[[4.80562,-1.85831,-0.297753,0.017626],[5.54192,1.20428,-0.054112,-0.0957601],[0.490401,0.428796,0.140509,-0.000966545],[-0.26137,0.00704803,0.06564,0.0185547],[-0.139569,-0.0577845,0.00465528,0.00780551],[-0.0128092,-0.018884,-0.00986489,-4.78796e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.77
S298 (cal/mol*K) = -15.38
G298 (kcal/mol) = -2.19

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(123); C5H6(62), C7H10(123); C2H4(115)+C5H6(62)(+M)=>C7H10(123)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.806e+00 -1.858e+00 -2.978e-01 1.763e-02 / CHEB/ 5.542e+00 1.204e+00 -5.411e-02 -9.576e-02 / CHEB/ 4.904e-01 4.288e-01 1.405e-01 -9.665e-04 / CHEB/ -2.614e-01 7.048e-03 6.564e-02 1.855e-02 / CHEB/ -1.396e-01 -5.778e-02 4.655e-03 7.806e-03 / CHEB/ -1.281e-02 -1.888e-02 -9.865e-03 -4.788e-05 /

1002.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	+0.6	+1.8	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-0.4	+1.3	+1.8

Chebyshev(coeffs=[[1.61468,-2.34635,-0.182351,0.0114505],[6.43657,1.3477,-0.199162,-0.0409855],[0.277556,0.650608,0.0973473,-0.0364581],[-0.347708,0.0861155,0.107237,-0.00454666],[-0.144464,-0.0577523,0.0327538,0.0167759],[-0.0115027,-0.0309931,-0.0114213,0.0102375]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.04
S298 (cal/mol*K) = -10.99
G298 (kcal/mol) = 3.23

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(124); C5H6(62), C7H10(124); C2H4(115)+C5H6(62)(+M)=>C7H10(124)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.615e+00 -2.346e+00 -1.824e-01 1.145e-02 / CHEB/ 6.437e+00 1.348e+00 -1.992e-01 -4.099e-02 / CHEB/ 2.776e-01 6.506e-01 9.735e-02 -3.646e-02 / CHEB/ -3.477e-01 8.612e-02 1.072e-01 -4.547e-03 / CHEB/ -1.445e-01 -5.775e-02 3.275e-02 1.678e-02 / CHEB/ -1.150e-02 -3.099e-02 -1.142e-02 1.024e-02 /

1003.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-0.7	+0.2	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-7.7	-1.7	-0.3	+0.0

Chebyshev(coeffs=[[0.601678,-2.35403,-0.178437,0.0116644],[5.85003,1.32749,-0.203736,-0.0401352],[0.194685,0.656555,0.0931351,-0.0359434],[-0.378519,0.0937945,0.106956,-0.00565993],[-0.157017,-0.0547907,0.0343351,0.0160428],[-0.0161479,-0.030716,-0.0106995,0.0103546]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.51
S298 (cal/mol*K) = -11.42
G298 (kcal/mol) = 0.89

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(125); C5H6(62), C7H10(125); C2H4(115)+C5H6(62)(+M)=>C7H10(125)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.017e-01 -2.354e+00 -1.784e-01 1.166e-02 / CHEB/ 5.850e+00 1.327e+00 -2.037e-01 -4.014e-02 / CHEB/ 1.947e-01 6.566e-01 9.314e-02 -3.594e-02 / CHEB/ -3.785e-01 9.379e-02 1.070e-01 -5.660e-03 / CHEB/ -1.570e-01 -5.479e-02 3.434e-02 1.604e-02 / CHEB/ -1.615e-02 -3.072e-02 -1.070e-02 1.035e-02 /

1004.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-3.8	-2.6	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-4.8	-3.1	-2.6

Chebyshev(coeffs=[[-2.99286,-2.32839,-0.191781,0.0113031],[6.71982,1.39149,-0.18774,-0.0433327],[0.228757,0.635042,0.106649,-0.0374097],[-0.344877,0.0690572,0.10738,-0.00178627],[-0.138719,-0.0639038,0.0290359,0.0182952],[-0.00921476,-0.0313089,-0.0129569,0.00985918]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.34
S298 (cal/mol*K) = -33.81
G298 (kcal/mol) = 8.74

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(126); C5H6(62), C7H10(126); C2H4(115)+C5H6(62)(+M)=>C7H10(126)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.993e+00 -2.328e+00 -1.918e-01 1.130e-02 / CHEB/ 6.720e+00 1.391e+00 -1.877e-01 -4.333e-02 / CHEB/ 2.288e-01 6.350e-01 1.066e-01 -3.741e-02 / CHEB/ -3.449e-01 6.906e-02 1.074e-01 -1.786e-03 / CHEB/ -1.387e-01 -6.390e-02 2.904e-02 1.830e-02 / CHEB/ -9.215e-03 -3.131e-02 -1.296e-02 9.859e-03 /

1005.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-2.4	-1.3	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-3.4	-1.7	-1.2

Chebyshev(coeffs=[[-1.61798,-2.33033,-0.190757,0.0112943],[6.7077,1.38705,-0.189005,-0.043054],[0.238042,0.63679,0.105691,-0.0373283],[-0.344092,0.070824,0.107397,-0.00208924],[-0.138941,-0.0632938,0.0294329,0.0181457],[-0.00930133,-0.0312958,-0.0128027,0.00990586]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.75
S298 (cal/mol*K) = -30.23
G298 (kcal/mol) = 11.76

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(127); C5H6(62), C7H10(127); C2H4(115)+C5H6(62)(+M)=>C7H10(127)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.618e+00 -2.330e+00 -1.908e-01 1.129e-02 / CHEB/ 6.708e+00 1.387e+00 -1.890e-01 -4.305e-02 / CHEB/ 2.380e-01 6.368e-01 1.057e-01 -3.733e-02 / CHEB/ -3.441e-01 7.082e-02 1.074e-01 -2.089e-03 / CHEB/ -1.389e-01 -6.329e-02 2.943e-02 1.815e-02 / CHEB/ -9.301e-03 -3.130e-02 -1.280e-02 9.906e-03 /

1006.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+2.7	+3.0	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+1.8	+2.5	+2.3

Chebyshev(coeffs=[[5.89001,-2.13028,-0.223791,0.0338663],[2.96958,1.1073,-0.161656,-0.0764579],[0.172145,0.529809,0.0856704,-0.0225188],[-0.303946,0.0886549,0.0795832,0.0109923],[-0.224776,-0.0486284,0.0288634,0.0117182],[-0.0851076,-0.0387923,-0.00331905,0.00247147]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.13
S298 (cal/mol*K) = -32.85
G298 (kcal/mol) = -17.34

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(128); C5H6(62), C7H10(128); C2H4(115)+C5H6(62)(+M)=>C7H10(128)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.890e+00 -2.130e+00 -2.238e-01 3.387e-02 / CHEB/ 2.970e+00 1.107e+00 -1.617e-01 -7.646e-02 / CHEB/ 1.721e-01 5.298e-01 8.567e-02 -2.252e-02 / CHEB/ -3.039e-01 8.865e-02 7.958e-02 1.099e-02 / CHEB/ -2.248e-01 -4.863e-02 2.886e-02 1.172e-02 / CHEB/ -8.511e-02 -3.879e-02 -3.319e-03 2.471e-03 /

1007.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.6	-2.2	+0.7	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-2.5	+0.6	+2.0

Chebyshev(coeffs=[[-3.89909,-0.826823,-0.234745,-0.0157598],[11.6349,0.577814,0.0652121,-0.0430423],[0.304303,0.158896,0.0645728,-0.00288781],[0.0307136,-0.0187092,0.0263218,0.0135993],[-0.0232945,-0.022461,0.00153839,0.00969884],[-0.0231609,-0.0056618,-0.00456176,0.00206789]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.09
S298 (cal/mol*K) = 1.72
G298 (kcal/mol) = 33.58

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C4H5(99); C2H4(115), C3H5(129); C2H4(115)+C5H6(62)(+M)=>C4H5(99)+C3H5(129)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.899e+00 -8.268e-01 -2.347e-01 -1.576e-02 / CHEB/ 1.163e+01 5.778e-01 6.521e-02 -4.304e-02 / CHEB/ 3.043e-01 1.589e-01 6.457e-02 -2.888e-03 / CHEB/ 3.071e-02 -1.871e-02 2.632e-02 1.360e-02 / CHEB/ -2.329e-02 -2.246e-02 1.538e-03 9.699e-03 / CHEB/ -2.316e-02 -5.662e-03 -4.562e-03 2.068e-03 /

1008.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-1.2	+0.8	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-1.7	+0.6	+1.7

Chebyshev(coeffs=[[0.378239,-1.10809,-0.203563,-0.0443531],[6.59787,0.697268,0.00249771,0.00310186],[0.732763,0.234295,0.0328172,-0.0130915],[0.0412361,0.0199042,0.0363755,-0.00871858],[-0.021928,-0.0220817,0.0234624,0.00714657],[-0.00449458,-0.0147996,0.00402475,0.00875161]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.28
S298 (cal/mol*K) = -21.20
G298 (kcal/mol) = 16.60

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(130); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(130)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.782e-01 -1.108e+00 -2.036e-01 -4.435e-02 / CHEB/ 6.598e+00 6.973e-01 2.498e-03 3.102e-03 / CHEB/ 7.328e-01 2.343e-01 3.282e-02 -1.309e-02 / CHEB/ 4.124e-02 1.990e-02 3.638e-02 -8.719e-03 / CHEB/ -2.193e-02 -2.208e-02 2.346e-02 7.147e-03 / CHEB/ -4.495e-03 -1.480e-02 4.025e-03 8.752e-03 /

1009.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.6	-4.0	-0.9	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-4.3	-1.0	+0.6

Chebyshev(coeffs=[[-5.75941,-0.858804,-0.22911,-0.0159991],[11.782,0.59753,0.0535641,-0.0413468],[0.491984,0.165915,0.0641137,-0.00531692],[0.080164,-0.0168877,0.0289854,0.0123516],[-0.00752442,-0.0235401,0.00311123,0.0103598],[-0.0164026,-0.00660051,-0.00453357,0.00276346]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.88
S298 (cal/mol*K) = -11.63
G298 (kcal/mol) = 36.34

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(131); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(131)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.759e+00 -8.588e-01 -2.291e-01 -1.600e-02 / CHEB/ 1.178e+01 5.975e-01 5.356e-02 -4.135e-02 / CHEB/ 4.920e-01 1.659e-01 6.411e-02 -5.317e-03 / CHEB/ 8.016e-02 -1.689e-02 2.899e-02 1.235e-02 / CHEB/ -7.524e-03 -2.354e-02 3.111e-03 1.036e-02 / CHEB/ -1.640e-02 -6.601e-03 -4.534e-03 2.763e-03 /

1010.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-5.4	-2.1	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-15.3	-5.7	-2.2	-0.4

Chebyshev(coeffs=[[-7.70332,-0.819313,-0.235988,-0.0158583],[12.6886,0.573103,0.0679036,-0.0432275],[0.500483,0.15725,0.0646114,-0.00233229],[0.0896176,-0.0190872,0.0256796,0.0138462],[-0.00362852,-0.0221893,0.00119998,0.00953023],[-0.0165054,-0.00544708,-0.00455053,0.0019112]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.88
S298 (cal/mol*K) = -14.33
G298 (kcal/mol) = 40.15

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(132); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(132)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.703e+00 -8.193e-01 -2.360e-01 -1.586e-02 / CHEB/ 1.269e+01 5.731e-01 6.790e-02 -4.323e-02 / CHEB/ 5.005e-01 1.573e-01 6.461e-02 -2.332e-03 / CHEB/ 8.962e-02 -1.909e-02 2.568e-02 1.385e-02 / CHEB/ -3.629e-03 -2.219e-02 1.200e-03 9.530e-03 / CHEB/ -1.651e-02 -5.447e-03 -4.551e-03 1.911e-03 /

1011.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-3.1	+0.5	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-14.0	-3.3	+0.4	+2.1

Chebyshev(coeffs=[[-6.6569,-0.693761,-0.249649,-0.0242193],[14.5269,0.489683,0.106959,-0.0365272],[0.273665,0.131018,0.0617102,0.00590322],[0.0366639,-0.0231972,0.0150568,0.0155935],[-0.0197823,-0.0168564,-0.00270358,0.0062116],[-0.0254361,-0.00232245,-0.0036803,-0.000241657]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.03
S298 (cal/mol*K) = 1.68
G298 (kcal/mol) = 43.53

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H7(133); C2H4(115), C2H3(100); C2H4(115)+C5H6(62)(+M)=>C2H3(100)+C5H7(133)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.657e+00 -6.938e-01 -2.496e-01 -2.422e-02 / CHEB/ 1.453e+01 4.897e-01 1.070e-01 -3.653e-02 / CHEB/ 2.737e-01 1.310e-01 6.171e-02 5.903e-03 / CHEB/ 3.666e-02 -2.320e-02 1.506e-02 1.559e-02 / CHEB/ -1.978e-02 -1.686e-02 -2.704e-03 6.212e-03 / CHEB/ -2.544e-02 -2.322e-03 -3.680e-03 -2.417e-04 /

1012.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-2.7	+0.3	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-3.0	+0.2	+1.8

Chebyshev(coeffs=[[-3.54579,-0.929286,-0.212597,-0.0203208],[10.5883,0.647916,0.0308872,-0.029573],[0.623883,0.187422,0.0635224,-0.00998271],[0.11084,-0.00933431,0.0362649,0.009079],[0.00525782,-0.0245444,0.00855162,0.0121243],[-0.00661694,-0.0083219,-0.00348316,0.00487366]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.68
S298 (cal/mol*K) = -15.43
G298 (kcal/mol) = 31.27

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(134); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(134)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.546e+00 -9.293e-01 -2.126e-01 -2.032e-02 / CHEB/ 1.059e+01 6.479e-01 3.089e-02 -2.957e-02 / CHEB/ 6.239e-01 1.874e-01 6.352e-02 -9.983e-03 / CHEB/ 1.108e-01 -9.334e-03 3.626e-02 9.079e-03 / CHEB/ 5.258e-03 -2.454e-02 8.552e-03 1.212e-02 / CHEB/ -6.617e-03 -8.322e-03 -3.483e-03 4.874e-03 /

1013.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-2.6	+0.3	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-3.0	+0.2	+1.8

Chebyshev(coeffs=[[-3.54176,-0.928727,-0.212421,-0.0202137],[10.5916,0.647811,0.0308184,-0.0296534],[0.62313,0.186871,0.0633925,-0.0100484],[0.109414,-0.0095848,0.0361991,0.00910741],[0.0043501,-0.0245669,0.00848801,0.0121281],[-0.00709196,-0.00829962,-0.00352742,0.00483999]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.68
S298 (cal/mol*K) = -15.43
G298 (kcal/mol) = 31.27

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(135); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(135)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.542e+00 -9.287e-01 -2.124e-01 -2.021e-02 / CHEB/ 1.059e+01 6.478e-01 3.082e-02 -2.965e-02 / CHEB/ 6.231e-01 1.869e-01 6.339e-02 -1.005e-02 / CHEB/ 1.094e-01 -9.585e-03 3.620e-02 9.107e-03 / CHEB/ 4.350e-03 -2.457e-02 8.488e-03 1.213e-02 / CHEB/ -7.092e-03 -8.300e-03 -3.527e-03 4.840e-03 /

1014.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-4.8	-1.3	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-5.1	-1.4	+0.4

Chebyshev(coeffs=[[-7.51158,-0.790913,-0.240364,-0.0167037],[13.3418,0.55488,0.0778602,-0.0432599],[0.50579,0.151183,0.0644948,-0.000291755],[0.0953459,-0.0203751,0.0232411,0.0146207],[-0.00131677,-0.0210987,3.14194e-05,0.00885518],[-0.0165827,-0.00466889,-0.00445347,0.00134727]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.08
S298 (cal/mol*K) = -14.75
G298 (kcal/mol) = 42.47

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(136); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(136)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.512e+00 -7.909e-01 -2.404e-01 -1.670e-02 / CHEB/ 1.334e+01 5.549e-01 7.786e-02 -4.326e-02 / CHEB/ 5.058e-01 1.512e-01 6.449e-02 -2.918e-04 / CHEB/ 9.535e-02 -2.038e-02 2.324e-02 1.462e-02 / CHEB/ -1.317e-03 -2.110e-02 3.142e-05 8.855e-03 / CHEB/ -1.658e-02 -4.669e-03 -4.453e-03 1.347e-03 /

1015.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-1.7	+1.0	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-2.0	+0.8	+2.2

Chebyshev(coeffs=[[-2.1852,-0.940569,-0.213967,-0.021907],[9.85738,0.64361,0.0246565,-0.0299711],[0.46749,0.185004,0.0601925,-0.0117521],[0.0526688,-0.0105151,0.0349291,0.0075804],[-0.0184604,-0.025635,0.00813842,0.0114925],[-0.0164556,-0.00917805,-0.00375505,0.00474026]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.46
S298 (cal/mol*K) = -6.50
G298 (kcal/mol) = 26.39

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(94); C2H4(115), CH2(137); C2H4(115)+C5H6(62)(+M)=>CH2(137)+C6H8(94)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.185e+00 -9.406e-01 -2.140e-01 -2.191e-02 / CHEB/ 9.857e+00 6.436e-01 2.466e-02 -2.997e-02 / CHEB/ 4.675e-01 1.850e-01 6.019e-02 -1.175e-02 / CHEB/ 5.267e-02 -1.052e-02 3.493e-02 7.580e-03 / CHEB/ -1.846e-02 -2.563e-02 8.138e-03 1.149e-02 / CHEB/ -1.646e-02 -9.178e-03 -3.755e-03 4.740e-03 /

1016.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+1.2	+2.2	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-2.6	+0.6	+1.9	+2.5

Chebyshev(coeffs=[[4.71687,-1.24766,-0.22596,-0.0335511],[3.40586,0.673988,0.0112768,-0.0142638],[0.490086,0.257801,0.0160406,0.00213145],[-0.0400256,0.0609102,0.0170779,-0.0107362],[-0.049455,0.00311545,0.0254615,-0.00480581],[-0.0049175,-0.00906937,0.015217,0.00430002]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.24
S298 (cal/mol*K) = -34.82
G298 (kcal/mol) = -8.86

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(138); C5H6(62), C7H10(138); C2H4(115)+C5H6(62)(+M)=>C7H10(138)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.717e+00 -1.248e+00 -2.260e-01 -3.355e-02 / CHEB/ 3.406e+00 6.740e-01 1.128e-02 -1.426e-02 / CHEB/ 4.901e-01 2.578e-01 1.604e-02 2.131e-03 / CHEB/ -4.003e-02 6.091e-02 1.708e-02 -1.074e-02 / CHEB/ -4.946e-02 3.115e-03 2.546e-02 -4.806e-03 / CHEB/ -4.918e-03 -9.069e-03 1.522e-02 4.300e-03 /

1017.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	-0.4	+1.7	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-0.8	+1.5	+2.6

Chebyshev(coeffs=[[0.933117,-1.09339,-0.204417,-0.0454025],[6.98879,0.694965,0.000970065,0.00360566],[0.686434,0.227949,0.0367311,-0.0155497],[0.0403174,0.0133655,0.0365509,-0.00736533],[-0.0242343,-0.0239038,0.0212942,0.0082729],[-0.00745492,-0.0142803,0.00255501,0.00843762]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.58
S298 (cal/mol*K) = -32.70
G298 (kcal/mol) = 16.33

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(139); C5H6(62), C7H10(139); C2H4(115)+C5H6(62)(+M)=>C7H10(139)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.331e-01 -1.093e+00 -2.044e-01 -4.540e-02 / CHEB/ 6.989e+00 6.950e-01 9.701e-04 3.606e-03 / CHEB/ 6.864e-01 2.279e-01 3.673e-02 -1.555e-02 / CHEB/ 4.032e-02 1.337e-02 3.655e-02 -7.365e-03 / CHEB/ -2.423e-02 -2.390e-02 2.129e-02 8.273e-03 / CHEB/ -7.455e-03 -1.428e-02 2.555e-03 8.438e-03 /

1018.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	-0.1	+2.0	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-6.4	-0.5	+1.8	+2.9

Chebyshev(coeffs=[[1.28346,-1.0932,-0.204394,-0.0453877],[6.90037,0.694948,0.000957894,0.00359333],[0.665793,0.227897,0.0367751,-0.0155649],[0.0343731,0.0133247,0.036565,-0.00734478],[-0.0261987,-0.0239127,0.021279,0.00828589],[-0.00815957,-0.0142732,0.00254299,0.00843528]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.45
S298 (cal/mol*K) = -31.23
G298 (kcal/mol) = 15.76

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(140); C5H6(62), C7H10(140); C2H4(115)+C5H6(62)(+M)=>C7H10(140)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.283e+00 -1.093e+00 -2.044e-01 -4.539e-02 / CHEB/ 6.900e+00 6.949e-01 9.579e-04 3.593e-03 / CHEB/ 6.658e-01 2.279e-01 3.678e-02 -1.556e-02 / CHEB/ 3.437e-02 1.332e-02 3.657e-02 -7.345e-03 / CHEB/ -2.620e-02 -2.391e-02 2.128e-02 8.286e-03 / CHEB/ -8.160e-03 -1.427e-02 2.543e-03 8.435e-03 /

1019.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	-0.3	+1.6	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-6.0	-0.7	+1.4	+2.4

Chebyshev(coeffs=[[1.75173,-1.13954,-0.211442,-0.0448767],[5.90729,0.70455,0.0087012,0.000761901],[0.781546,0.23967,0.0272871,-0.00882281],[0.030926,0.0252304,0.0328237,-0.0115052],[-0.0399675,-0.0204466,0.0250097,0.00476997],[-0.00020967,-0.0156798,0.00588528,0.00885939]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.74
S298 (cal/mol*K) = -34.18
G298 (kcal/mol) = 0.44

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(141); C5H6(62), C7H10(141); C2H4(115)+C5H6(62)(+M)=>C7H10(141)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.752e+00 -1.140e+00 -2.114e-01 -4.488e-02 / CHEB/ 5.907e+00 7.045e-01 8.701e-03 7.619e-04 / CHEB/ 7.815e-01 2.397e-01 2.729e-02 -8.823e-03 / CHEB/ 3.093e-02 2.523e-02 3.282e-02 -1.151e-02 / CHEB/ -3.997e-02 -2.045e-02 2.501e-02 4.770e-03 / CHEB/ -2.097e-04 -1.568e-02 5.885e-03 8.859e-03 /

1020.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-2.9	-0.3	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-3.3	-0.4	+1.0

Chebyshev(coeffs=[[-3.09623,-0.987951,-0.205531,-0.0293729],[9.41895,0.670568,0.0114749,-0.0179244],[0.624711,0.198066,0.0562148,-0.0150736],[0.0850209,-0.00562282,0.0377175,0.00385003],[0.00783181,-0.0267414,0.0118891,0.0117594],[-0.012169,-0.010736,-0.00274659,0.00606797]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.58
S298 (cal/mol*K) = -32.70
G298 (kcal/mol) = 16.33

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(142); C5H6(62), C7H10(142); C2H4(115)+C5H6(62)(+M)=>C7H10(142)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.096e+00 -9.880e-01 -2.055e-01 -2.937e-02 / CHEB/ 9.419e+00 6.706e-01 1.147e-02 -1.792e-02 / CHEB/ 6.247e-01 1.981e-01 5.621e-02 -1.507e-02 / CHEB/ 8.502e-02 -5.623e-03 3.772e-02 3.850e-03 / CHEB/ 7.832e-03 -2.674e-02 1.189e-02 1.176e-02 / CHEB/ -1.217e-02 -1.074e-02 -2.747e-03 6.068e-03 /

1021.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-1.2	+0.8	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-1.6	+0.6	+1.6

Chebyshev(coeffs=[[0.387526,-1.27453,-0.305395,-0.0869291],[6.58167,0.865315,0.0955601,0.0354344],[0.641803,0.199391,0.0195222,-0.0142562],[0.0342286,0.006165,0.0281267,-0.0127976],[-0.0140283,-0.0120942,0.0291441,0.00972504],[-0.00108242,-0.00746422,0.00887821,0.0116233]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.65
S298 (cal/mol*K) = -31.65
G298 (kcal/mol) = 18.08

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(143); C5H6(62), C7H10(143); C2H4(115)+C5H6(62)(+M)=>C7H10(143)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.875e-01 -1.275e+00 -3.054e-01 -8.693e-02 / CHEB/ 6.582e+00 8.653e-01 9.556e-02 3.543e-02 / CHEB/ 6.418e-01 1.994e-01 1.952e-02 -1.426e-02 / CHEB/ 3.423e-02 6.165e-03 2.813e-02 -1.280e-02 / CHEB/ -1.403e-02 -1.209e-02 2.914e-02 9.725e-03 / CHEB/ -1.082e-03 -7.464e-03 8.878e-03 1.162e-02 /

1022.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-1.1	+1.2	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-1.5	+1.0	+2.5

Chebyshev(coeffs=[[1.14617,-1.10694,-0.198385,-0.0419885],[6.0404,0.756567,0.0305255,0.00585702],[1.03092,0.262494,0.0401009,-0.00508382],[0.205398,0.022439,0.0376824,-0.00833751],[0.0500289,-0.0323809,0.0250688,0.00722174],[0.0127037,-0.0242064,0.00342108,0.0100109]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.45
S298 (cal/mol*K) = -28.53
G298 (kcal/mol) = 11.95

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(144); C5H6(62), C7H10(144); C2H4(115)+C5H6(62)(+M)=>C7H10(144)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.146e+00 -1.107e+00 -1.984e-01 -4.199e-02 / CHEB/ 6.040e+00 7.566e-01 3.053e-02 5.857e-03 / CHEB/ 1.031e+00 2.625e-01 4.010e-02 -5.084e-03 / CHEB/ 2.054e-01 2.244e-02 3.768e-02 -8.338e-03 / CHEB/ 5.003e-02 -3.238e-02 2.507e-02 7.222e-03 / CHEB/ 1.270e-02 -2.421e-02 3.421e-03 1.001e-02 /

1023.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	-1.6	-0.3	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-5.9	-2.1	-0.5	+0.2

Chebyshev(coeffs=[[1.57953,-1.21979,-0.22202,-0.0358567],[4.06312,0.691594,0.014399,-0.0109382],[0.615092,0.257938,0.019778,0.0015979],[-0.0124098,0.0554334,0.0228853,-0.0112852],[-0.0362032,-0.00142939,0.0281783,-0.00242898],[0.0013726,-0.0100116,0.0145227,0.00651008]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.92
S298 (cal/mol*K) = -39.93
G298 (kcal/mol) = 2.98

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(145); C5H6(62), C7H10(145); C2H4(115)+C5H6(62)(+M)=>C7H10(145)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.580e+00 -1.220e+00 -2.220e-01 -3.586e-02 / CHEB/ 4.063e+00 6.916e-01 1.440e-02 -1.094e-02 / CHEB/ 6.151e-01 2.579e-01 1.978e-02 1.598e-03 / CHEB/ -1.241e-02 5.543e-02 2.289e-02 -1.129e-02 / CHEB/ -3.620e-02 -1.429e-03 2.818e-02 -2.429e-03 / CHEB/ 1.373e-03 -1.001e-02 1.452e-02 6.510e-03 /

1024.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	-0.7	+0.9	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-5.6	-1.2	+0.7	+1.8

Chebyshev(coeffs=[[2.12072,-1.18651,-0.215698,-0.037183],[4.73922,0.72285,0.0223103,-0.00786938],[0.813807,0.264586,0.0274827,0.00137865],[0.0610784,0.0503682,0.0301717,-0.0105961],[-0.0010762,-0.00777807,0.0304594,0.000694407],[0.017242,-0.0130304,0.0127492,0.00864731]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.14
S298 (cal/mol*K) = -36.13
G298 (kcal/mol) = -0.37

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(146); C5H6(62), C7H10(146); C2H4(115)+C5H6(62)(+M)=>C7H10(146)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.121e+00 -1.187e+00 -2.157e-01 -3.718e-02 / CHEB/ 4.739e+00 7.228e-01 2.231e-02 -7.869e-03 / CHEB/ 8.138e-01 2.646e-01 2.748e-02 1.379e-03 / CHEB/ 6.108e-02 5.037e-02 3.017e-02 -1.060e-02 / CHEB/ -1.076e-03 -7.778e-03 3.046e-02 6.944e-04 / CHEB/ 1.724e-02 -1.303e-02 1.275e-02 8.647e-03 /

1025.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	-0.2	+0.7	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-3.8	-0.8	+0.4	+0.9

Chebyshev(coeffs=[[3.49057,-1.26637,-0.228833,-0.0323317],[3.1276,0.657934,0.0078993,-0.0160188],[0.420859,0.254708,0.012937,0.00203037],[-0.057634,0.0630779,0.0130561,-0.0104356],[-0.0585477,0.00603347,0.0232081,-0.00606892],[-0.0099173,-0.00768572,0.0153525,0.00281808]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.02
S298 (cal/mol*K) = -39.58
G298 (kcal/mol) = -7.22

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(147); C5H6(62), C7H10(147); C2H4(115)+C5H6(62)(+M)=>C7H10(147)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.491e+00 -1.266e+00 -2.288e-01 -3.233e-02 / CHEB/ 3.128e+00 6.579e-01 7.899e-03 -1.602e-02 / CHEB/ 4.209e-01 2.547e-01 1.294e-02 2.030e-03 / CHEB/ -5.763e-02 6.308e-02 1.306e-02 -1.044e-02 / CHEB/ -5.855e-02 6.033e-03 2.321e-02 -6.069e-03 / CHEB/ -9.917e-03 -7.686e-03 1.535e-02 2.818e-03 /

1026.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.3	+0.7	+1.2	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-2.2	+0.0	+0.8	+1.0

Chebyshev(coeffs=[[4.81791,-1.31524,-0.232633,-0.027477],[2.23729,0.61534,0.00510907,-0.016777],[0.176659,0.253018,0.0108662,0.00362928],[-0.108809,0.0789763,0.00728314,-0.00738571],[-0.0695962,0.0242775,0.0196584,-0.00711244],[-0.0113135,0.00473514,0.0172349,-0.000409152]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.52
S298 (cal/mol*K) = -46.81
G298 (kcal/mol) = -20.57

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(148); C5H6(62), C7H10(148); C2H4(115)+C5H6(62)(+M)=>C7H10(148)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.818e+00 -1.315e+00 -2.326e-01 -2.748e-02 / CHEB/ 2.237e+00 6.153e-01 5.109e-03 -1.678e-02 / CHEB/ 1.767e-01 2.530e-01 1.087e-02 3.629e-03 / CHEB/ -1.088e-01 7.898e-02 7.283e-03 -7.386e-03 / CHEB/ -6.960e-02 2.428e-02 1.966e-02 -7.112e-03 / CHEB/ -1.131e-02 4.735e-03 1.723e-02 -4.092e-04 /

1027.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	-0.4	+1.2	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-4.4	-0.9	+1.0	+2.1

Chebyshev(coeffs=[[3.14327,-1.19925,-0.211404,-0.0320317],[3.90836,0.740065,0.033671,-0.00947686],[0.794025,0.286588,0.0304039,0.00380843],[0.13442,0.0615492,0.0255186,-0.00931355],[0.0379252,-0.00996931,0.0274294,-0.00194933],[0.0274361,-0.0237946,0.0121066,0.00673177]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.34
S298 (cal/mol*K) = -37.61
G298 (kcal/mol) = -1.13

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(149); C5H6(62), C7H10(149); C2H4(115)+C5H6(62)(+M)=>C7H10(149)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.143e+00 -1.199e+00 -2.114e-01 -3.203e-02 / CHEB/ 3.908e+00 7.401e-01 3.367e-02 -9.477e-03 / CHEB/ 7.940e-01 2.866e-01 3.040e-02 3.808e-03 / CHEB/ 1.344e-01 6.155e-02 2.552e-02 -9.314e-03 / CHEB/ 3.793e-02 -9.969e-03 2.743e-02 -1.949e-03 / CHEB/ 2.744e-02 -2.379e-02 1.211e-02 6.732e-03 /

1028.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.2	+2.8	+3.7	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-0.7	+2.2	+3.3	+3.8

Chebyshev(coeffs=[[6.58602,-1.27499,-0.225191,-0.0279306],[2.95465,0.636111,-0.000678855,-0.0214578],[0.391577,0.259631,0.014434,0.00350462],[-0.0549609,0.0680779,0.01051,-0.00955956],[-0.0570405,0.00993955,0.0212663,-0.00695512],[-0.00966506,-0.00582638,0.0156616,0.00150239]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -64.03
S298 (cal/mol*K) = -45.13
G298 (kcal/mol) = -50.59

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(150); C5H6(62), C7H10(150); C2H4(115)+C5H6(62)(+M)=>C7H10(150)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.586e+00 -1.275e+00 -2.252e-01 -2.793e-02 / CHEB/ 2.955e+00 6.361e-01 -6.789e-04 -2.146e-02 / CHEB/ 3.916e-01 2.596e-01 1.443e-02 3.505e-03 / CHEB/ -5.496e-02 6.808e-02 1.051e-02 -9.560e-03 / CHEB/ -5.704e-02 9.940e-03 2.127e-02 -6.955e-03 / CHEB/ -9.665e-03 -5.826e-03 1.566e-02 1.502e-03 /

1029.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+2.2	+3.4	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+1.6	+3.0	+3.7

Chebyshev(coeffs=[[5.46795,-1.24379,-0.226507,-0.0345741],[3.77085,0.673158,0.0092716,-0.0144749],[0.558881,0.253146,0.0144211,0.00121425],[-0.0291129,0.0557481,0.0164211,-0.0116147],[-0.0496973,-0.000847039,0.0246403,-0.00485667],[-0.00750143,-0.0112315,0.0140239,0.00443329]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.20
S298 (cal/mol*K) = -30.52
G298 (kcal/mol) = -4.11

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(151); C5H6(62), C7H10(151); C2H4(115)+C5H6(62)(+M)=>C7H10(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.468e+00 -1.244e+00 -2.265e-01 -3.457e-02 / CHEB/ 3.771e+00 6.732e-01 9.272e-03 -1.447e-02 / CHEB/ 5.589e-01 2.531e-01 1.442e-02 1.214e-03 / CHEB/ -2.911e-02 5.575e-02 1.642e-02 -1.161e-02 / CHEB/ -4.970e-02 -8.470e-04 2.464e-02 -4.857e-03 / CHEB/ -7.501e-03 -1.123e-02 1.402e-02 4.433e-03 /

1030.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.2	+0.8	+2.6	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-4.0	+1.4	+3.4	+4.4

Chebyshev(coeffs=[[2.63821,0.760594,-0.264475,-0.0671488],[6.12885,0.797274,0.0604729,0.0209633],[0.671194,0.216165,0.0164238,-0.00890262],[-0.0460843,0.0370676,0.0341948,-0.0113726],[-0.0346754,-0.020825,0.024157,0.00310409],[0.0165661,-0.0178216,0.0052841,0.00778068]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.63
S298 (cal/mol*K) = -17.59
G298 (kcal/mol) = 10.88

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(152); C5H6(62), C7H10(152); C2H4(115)+C5H6(62)(+M)=>C7H10(152)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.638e+00 7.606e-01 -2.645e-01 -6.715e-02 / CHEB/ 6.129e+00 7.973e-01 6.047e-02 2.096e-02 / CHEB/ 6.712e-01 2.162e-01 1.642e-02 -8.903e-03 / CHEB/ -4.608e-02 3.707e-02 3.419e-02 -1.137e-02 / CHEB/ -3.468e-02 -2.082e-02 2.416e-02 3.104e-03 / CHEB/ 1.657e-02 -1.782e-02 5.284e-03 7.781e-03 /

1031.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+1.7	+3.8	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-4.4	+1.3	+3.6	+4.7

Chebyshev(coeffs=[[3.26078,-1.11075,-0.206709,-0.046197],[6.70921,0.696805,0.00276528,0.00401645],[0.728344,0.232532,0.0328505,-0.0137352],[0.0399186,0.0175935,0.0352854,-0.00911106],[-0.0237448,-0.0227305,0.0227387,0.00705484],[-0.00585404,-0.0147453,0.00378922,0.00863919]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.63
S298 (cal/mol*K) = -17.59
G298 (kcal/mol) = 10.88

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(153); C5H6(62), C7H10(153); C2H4(115)+C5H6(62)(+M)=>C7H10(153)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.261e+00 -1.111e+00 -2.067e-01 -4.620e-02 / CHEB/ 6.709e+00 6.968e-01 2.765e-03 4.016e-03 / CHEB/ 7.283e-01 2.325e-01 3.285e-02 -1.374e-02 / CHEB/ 3.992e-02 1.759e-02 3.529e-02 -9.111e-03 / CHEB/ -2.374e-02 -2.273e-02 2.274e-02 7.055e-03 / CHEB/ -5.854e-03 -1.475e-02 3.789e-03 8.639e-03 /

1032.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.5	+0.4	+2.2	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-5.3	-0.0	+2.0	+3.0

Chebyshev(coeffs=[[2.30352,-1.12195,-0.208465,-0.0461809],[6.05679,0.697692,0.00421324,0.00347781],[0.649322,0.235191,0.0304123,-0.0122541],[0.00853225,0.0204993,0.0342888,-0.0101352],[-0.0336079,-0.0218026,0.0235834,0.00616995],[-0.00845055,-0.0149939,0.00462934,0.00870917]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.12
S298 (cal/mol*K) = -18.05
G298 (kcal/mol) = 8.49

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(154); C5H6(62), C7H10(154); C2H4(115)+C5H6(62)(+M)=>C7H10(154)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.304e+00 -1.122e+00 -2.085e-01 -4.618e-02 / CHEB/ 6.057e+00 6.977e-01 4.213e-03 3.478e-03 / CHEB/ 6.493e-01 2.352e-01 3.041e-02 -1.225e-02 / CHEB/ 8.532e-03 2.050e-02 3.429e-02 -1.014e-02 / CHEB/ -3.361e-02 -2.180e-02 2.358e-02 6.170e-03 / CHEB/ -8.451e-03 -1.499e-02 4.629e-03 8.709e-03 /

1033.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	-1.3	+0.8	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-7.7	-1.7	+0.6	+1.8

Chebyshev(coeffs=[[-0.0468061,-1.08977,-0.204027,-0.0451166],[7.10349,0.694481,0.000683966,0.00332505],[0.689835,0.226911,0.0375319,-0.0158524],[0.04388,0.0125132,0.0367643,-0.00698604],[-0.0231692,-0.0241205,0.0209684,0.00849953],[-0.00739676,-0.0141817,0.00230335,0.00838078]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.39
S298 (cal/mol*K) = -36.85
G298 (kcal/mol) = 19.37

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(155); C5H6(62), C7H10(155); C2H4(115)+C5H6(62)(+M)=>C7H10(155)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.681e-02 -1.090e+00 -2.040e-01 -4.512e-02 / CHEB/ 7.103e+00 6.945e-01 6.840e-04 3.325e-03 / CHEB/ 6.898e-01 2.269e-01 3.753e-02 -1.585e-02 / CHEB/ 4.388e-02 1.251e-02 3.676e-02 -6.986e-03 / CHEB/ -2.317e-02 -2.412e-02 2.097e-02 8.500e-03 / CHEB/ -7.397e-03 -1.418e-02 2.303e-03 8.381e-03 /

1034.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-5.8	-4.4	-3.9
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-6.9	-5.0	-4.2

Chebyshev(coeffs=[[-4.35352,-2.0149,-0.352248,0.0234376],[6.02172,0.910931,-0.118993,-0.0905649],[0.406535,0.372451,0.0945772,-0.0152308],[-0.128686,0.138736,0.068884,-0.00181415],[-0.0750266,0.0578053,0.0360839,0.00041043],[-0.0345045,0.0115453,0.0124917,0.00435969]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.63
S298 (cal/mol*K) = -33.33
G298 (kcal/mol) = 16.56

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(44); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(44)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.354e+00 -2.015e+00 -3.522e-01 2.344e-02 / CHEB/ 6.022e+00 9.109e-01 -1.190e-01 -9.056e-02 / CHEB/ 4.065e-01 3.725e-01 9.458e-02 -1.523e-02 / CHEB/ -1.287e-01 1.387e-01 6.888e-02 -1.814e-03 / CHEB/ -7.503e-02 5.781e-02 3.608e-02 4.104e-04 / CHEB/ -3.450e-02 1.155e-02 1.249e-02 4.360e-03 /

1035.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.3	-7.5	-5.6	-4.8
log₁₀(k(10 bar)/[mole,m,s])	-15.7	-8.4	-6.0	-5.0

Chebyshev(coeffs=[[-8.01625,-1.85246,-0.418663,0.00355061],[8.98859,1.02125,-0.00882054,-0.091281],[0.215946,0.311714,0.115561,-0.00756479],[-0.108511,0.0873674,0.0685776,0.00723146],[-0.0667955,0.0381556,0.0280089,0.00754935],[-0.0364891,0.00740887,0.00641542,0.00563541]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.68
S298 (cal/mol*K) = -25.20
G298 (kcal/mol) = 29.19

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(45); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.016e+00 -1.852e+00 -4.187e-01 3.551e-03 / CHEB/ 8.989e+00 1.021e+00 -8.821e-03 -9.128e-02 / CHEB/ 2.159e-01 3.117e-01 1.156e-01 -7.565e-03 / CHEB/ -1.085e-01 8.737e-02 6.858e-02 7.231e-03 / CHEB/ -6.680e-02 3.816e-02 2.801e-02 7.549e-03 / CHEB/ -3.649e-02 7.409e-03 6.415e-03 5.635e-03 /

1036.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-7.4	-5.6	-4.9
log₁₀(k(10 bar)/[mole,m,s])	-15.2	-8.3	-6.1	-5.1

Chebyshev(coeffs=[[-7.53331,-1.8812,-0.408803,0.00504883],[8.42048,1.01718,-0.0261711,-0.0896865],[0.212626,0.320776,0.113938,-0.00940916],[-0.120847,0.093518,0.0696652,0.00561007],[-0.0713038,0.0400354,0.0292737,0.00694033],[-0.0370754,0.00763069,0.00712471,0.00576029]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.63
S298 (cal/mol*K) = -26.11
G298 (kcal/mol) = 27.41

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(46); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.533e+00 -1.881e+00 -4.088e-01 5.049e-03 / CHEB/ 8.420e+00 1.017e+00 -2.617e-02 -8.969e-02 / CHEB/ 2.126e-01 3.208e-01 1.139e-01 -9.409e-03 / CHEB/ -1.208e-01 9.352e-02 6.967e-02 5.610e-03 / CHEB/ -7.130e-02 4.004e-02 2.927e-02 6.940e-03 / CHEB/ -3.708e-02 7.631e-03 7.125e-03 5.760e-03 /

1037.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.3	-11.2	-8.4	-7.3
log₁₀(k(10 bar)/[mole,m,s])	-21.5	-11.9	-8.8	-7.4

Chebyshev(coeffs=[[-13.9874,-1.56174,-0.483644,-0.017958],[12.6315,0.960547,0.12929,-0.0903464],[0.0993551,0.237686,0.116317,0.0115998],[-0.0936259,0.0458736,0.0519924,0.0183108],[-0.0558338,0.0286138,0.0181456,0.00825647],[-0.0385667,0.00786437,0.00315149,0.00331786]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.73
S298 (cal/mol*K) = -27.83
G298 (kcal/mol) = 44.02

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(47); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(47)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.399e+01 -1.562e+00 -4.836e-01 -1.796e-02 / CHEB/ 1.263e+01 9.605e-01 1.293e-01 -9.035e-02 / CHEB/ 9.936e-02 2.377e-01 1.163e-01 1.160e-02 / CHEB/ -9.363e-02 4.587e-02 5.199e-02 1.831e-02 / CHEB/ -5.583e-02 2.861e-02 1.815e-02 8.256e-03 / CHEB/ -3.857e-02 7.864e-03 3.151e-03 3.318e-03 /

1038.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-4.2	-3.3	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-5.4	-4.1	-3.6

Chebyshev(coeffs=[[-1.68916,-2.08101,-0.326166,0.0377348],[4.21283,0.805765,-0.157017,-0.0896152],[0.270772,0.377094,0.0742761,-0.0208315],[-0.156114,0.169787,0.0620905,-0.00314692],[-0.0882662,0.0773891,0.0368161,-0.00324142],[-0.0384137,0.0181438,0.0158506,0.00128446]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -45.23
G298 (kcal/mol) = 2.59

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(48); C5H6(62), C7H10(48); C2H4(115)+C5H6(62)(+M)=>C7H10(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.689e+00 -2.081e+00 -3.262e-01 3.773e-02 / CHEB/ 4.213e+00 8.058e-01 -1.570e-01 -8.962e-02 / CHEB/ 2.708e-01 3.771e-01 7.428e-02 -2.083e-02 / CHEB/ -1.561e-01 1.698e-01 6.209e-02 -3.147e-03 / CHEB/ -8.827e-02 7.739e-02 3.682e-02 -3.241e-03 / CHEB/ -3.841e-02 1.814e-02 1.585e-02 1.284e-03 /

1039.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-5.1	-3.8	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-11.4	-6.2	-4.4	-3.7

Chebyshev(coeffs=[[-3.54031,-2.02444,-0.347855,0.0256508],[5.75738,0.896568,-0.125701,-0.0909717],[0.400764,0.375048,0.0920683,-0.015825],[-0.132414,0.143306,0.0682197,-0.00205364],[-0.0769377,0.0601642,0.0364012,-0.00024529],[-0.0348184,0.0122117,0.0130027,0.00398729]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -45.23
G298 (kcal/mol) = 2.59

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(49); C5H6(62), C7H10(49); C2H4(115)+C5H6(62)(+M)=>C7H10(49)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.540e+00 -2.024e+00 -3.479e-01 2.565e-02 / CHEB/ 5.757e+00 8.966e-01 -1.257e-01 -9.097e-02 / CHEB/ 4.008e-01 3.750e-01 9.207e-02 -1.583e-02 / CHEB/ -1.324e-01 1.433e-01 6.822e-02 -2.054e-03 / CHEB/ -7.694e-02 6.016e-02 3.640e-02 -2.453e-04 / CHEB/ -3.482e-02 1.221e-02 1.300e-02 3.987e-03 /

1040.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	+0.4	+0.8	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-4.6	-0.5	+0.3	+0.2

Chebyshev(coeffs=[[3.36121,-2.09811,-0.230276,0.0316378],[3.28347,1.14237,-0.151113,-0.0791561],[0.230763,0.526227,0.0956626,-0.0205275],[-0.298942,0.0749016,0.0803425,0.0123243],[-0.220753,-0.0557419,0.0262427,0.0117772],[-0.0810715,-0.0392482,-0.00488666,0.00246437]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.59
S298 (cal/mol*K) = -45.96
G298 (kcal/mol) = -1.90

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(50); C5H6(62), C7H10(50); C2H4(115)+C5H6(62)(+M)=>C7H10(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.361e+00 -2.098e+00 -2.303e-01 3.164e-02 / CHEB/ 3.283e+00 1.142e+00 -1.511e-01 -7.916e-02 / CHEB/ 2.308e-01 5.262e-01 9.566e-02 -2.053e-02 / CHEB/ -2.989e-01 7.490e-02 8.034e-02 1.232e-02 / CHEB/ -2.208e-01 -5.574e-02 2.624e-02 1.178e-02 / CHEB/ -8.107e-02 -3.925e-02 -4.887e-03 2.464e-03 /

1041.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-4.5	-3.8	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-5.8	-4.6	-4.2

Chebyshev(coeffs=[[-1.55658,-2.12371,-0.315422,0.0452705],[3.59186,0.736959,-0.170199,-0.0851153],[0.17734,0.364386,0.0593947,-0.02436],[-0.153644,0.184765,0.0551566,-0.00458257],[-0.085864,0.0921942,0.0354784,-0.00452442],[-0.0386705,0.0250047,0.0173016,-0.000609717]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.59
S298 (cal/mol*K) = -45.96
G298 (kcal/mol) = -1.90

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(51); C5H6(62), C7H10(51); C2H4(115)+C5H6(62)(+M)=>C7H10(51)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.557e+00 -2.124e+00 -3.154e-01 4.527e-02 / CHEB/ 3.592e+00 7.370e-01 -1.702e-01 -8.512e-02 / CHEB/ 1.773e-01 3.644e-01 5.939e-02 -2.436e-02 / CHEB/ -1.536e-01 1.848e-01 5.516e-02 -4.583e-03 / CHEB/ -8.586e-02 9.219e-02 3.548e-02 -4.524e-03 / CHEB/ -3.867e-02 2.500e-02 1.730e-02 -6.097e-04 /

1042.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	-3.4	-2.9	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-9.0	-4.7	-3.6	-3.6

Chebyshev(coeffs=[[-0.907713,-2.45806,-0.177065,0.0034553],[3.93721,1.02147,-0.223832,-0.0264943],[0.139147,0.607867,0.0216604,-0.0315706],[-0.368727,0.198252,0.0847876,-0.0164782],[-0.19347,0.00448485,0.0506211,0.00444609],[-0.0469429,-0.0249997,0.00232427,0.0100578]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.99
S298 (cal/mol*K) = -45.96
G298 (kcal/mol) = -0.30

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(52); C5H6(62), C7H10(52); C2H4(115)+C5H6(62)(+M)=>C7H10(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.077e-01 -2.458e+00 -1.771e-01 3.455e-03 / CHEB/ 3.937e+00 1.021e+00 -2.238e-01 -2.649e-02 / CHEB/ 1.391e-01 6.079e-01 2.166e-02 -3.157e-02 / CHEB/ -3.687e-01 1.983e-01 8.479e-02 -1.648e-02 / CHEB/ -1.935e-01 4.485e-03 5.062e-02 4.446e-03 / CHEB/ -4.694e-02 -2.500e-02 2.324e-03 1.006e-02 /

1043.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.5	-0.9	-0.1	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-5.9	-2.0	-0.8	-0.4

Chebyshev(coeffs=[[1.82112,-2.06851,-0.296758,0.0456318],[4.00045,0.841566,-0.137106,-0.0787465],[0.27022,0.398234,0.0799207,-0.01748],[-0.158705,0.160228,0.0560114,-0.000478434],[-0.110516,0.0474221,0.0227344,-0.00412196],[-0.0567274,-0.00894423,0.00157214,-0.00371409]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.33
S298 (cal/mol*K) = -36.36
G298 (kcal/mol) = -1.50

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(53); C5H6(62), C7H10(53); C2H4(115)+C5H6(62)(+M)=>C7H10(53)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.821e+00 -2.069e+00 -2.968e-01 4.563e-02 / CHEB/ 4.000e+00 8.416e-01 -1.371e-01 -7.875e-02 / CHEB/ 2.702e-01 3.982e-01 7.992e-02 -1.748e-02 / CHEB/ -1.587e-01 1.602e-01 5.601e-02 -4.784e-04 / CHEB/ -1.105e-01 4.742e-02 2.273e-02 -4.122e-03 / CHEB/ -5.673e-02 -8.944e-03 1.572e-03 -3.714e-03 /

1044.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-2.0	-0.9	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-3.2	-1.7	-1.1

Chebyshev(coeffs=[[0.436592,-2.08166,-0.323576,0.0384525],[4.4578,0.804726,-0.157797,-0.0896738],[0.350564,0.380614,0.0739787,-0.0214122],[-0.136128,0.173319,0.0623942,-0.00302041],[-0.0874068,0.0788746,0.0370763,-0.00317888],[-0.0392212,0.0180584,0.0160288,0.00119165]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.91
S298 (cal/mol*K) = -40.46
G298 (kcal/mol) = 3.15

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(55); C5H6(62), C7H10(55); C2H4(115)+C5H6(62)(+M)=>C7H10(55)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.366e-01 -2.082e+00 -3.236e-01 3.845e-02 / CHEB/ 4.458e+00 8.047e-01 -1.578e-01 -8.967e-02 / CHEB/ 3.506e-01 3.806e-01 7.398e-02 -2.141e-02 / CHEB/ -1.361e-01 1.733e-01 6.239e-02 -3.020e-03 / CHEB/ -8.741e-02 7.887e-02 3.708e-02 -3.179e-03 / CHEB/ -3.922e-02 1.806e-02 1.603e-02 1.192e-03 /

1045.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-3.2	-1.4	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-4.1	-2.0	-1.0

Chebyshev(coeffs=[[-2.70279,-1.9359,-0.384328,0.00966408],[7.56708,0.999919,-0.0643252,-0.0881273],[0.362005,0.34522,0.110129,-0.0123283],[-0.0899518,0.107724,0.0717001,0.002552],[-0.065108,0.0431386,0.032088,0.00527303],[-0.0232693,0.00748285,0.00878022,0.00589642]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.69
S298 (cal/mol*K) = -34.72
G298 (kcal/mol) = 4.66

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(56); C5H6(62), C7H10(56); C2H4(115)+C5H6(62)(+M)=>C7H10(56)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.703e+00 -1.936e+00 -3.843e-01 9.664e-03 / CHEB/ 7.567e+00 9.999e-01 -6.433e-02 -8.813e-02 / CHEB/ 3.620e-01 3.452e-01 1.101e-01 -1.233e-02 / CHEB/ -8.995e-02 1.077e-01 7.170e-02 2.552e-03 / CHEB/ -6.511e-02 4.314e-02 3.209e-02 5.273e-03 / CHEB/ -2.327e-02 7.483e-03 8.780e-03 5.896e-03 /

1046.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	-1.1	-0.3	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-7.7	-2.2	-0.9	-0.7

Chebyshev(coeffs=[[0.582273,-2.44142,-0.192957,-0.00117107],[5.2192,1.2455,-0.206724,-0.0282911],[0.210304,0.646271,0.0580218,-0.0398659],[-0.394327,0.123563,0.0987471,-0.0119257],[-0.180888,-0.0370585,0.0412078,0.0125794],[-0.0294841,-0.0266557,-0.00600912,0.0109658]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.38
S298 (cal/mol*K) = -8.78
G298 (kcal/mol) = 2.24

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C4H5(156); C2H4(115), C3H5(98); C2H4(115)+C5H6(62)(+M)=>C3H5(98)+C4H5(156)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.823e-01 -2.441e+00 -1.930e-01 -1.171e-03 / CHEB/ 5.219e+00 1.245e+00 -2.067e-01 -2.829e-02 / CHEB/ 2.103e-01 6.463e-01 5.802e-02 -3.987e-02 / CHEB/ -3.943e-01 1.236e-01 9.875e-02 -1.193e-02 / CHEB/ -1.809e-01 -3.706e-02 4.121e-02 1.258e-02 / CHEB/ -2.948e-02 -2.666e-02 -6.009e-03 1.097e-02 /

1047.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-5.7	-4.1	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-14.1	-6.6	-4.5	-3.8

Chebyshev(coeffs=[[-5.79374,-2.32523,-0.242283,0.00430291],[8.25584,1.46749,-0.148666,-0.0496777],[0.22192,0.569826,0.110342,-0.0427348],[-0.288063,0.0329785,0.0997654,0.00271574],[-0.123516,-0.0713145,0.0210442,0.0203893],[-0.00951934,-0.0294881,-0.0145302,0.00894521]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.55
S298 (cal/mol*K) = -18.03
G298 (kcal/mol) = 21.92

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(157); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(157)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.794e+00 -2.325e+00 -2.423e-01 4.303e-03 / CHEB/ 8.256e+00 1.467e+00 -1.487e-01 -4.968e-02 / CHEB/ 2.219e-01 5.698e-01 1.103e-01 -4.273e-02 / CHEB/ -2.881e-01 3.298e-02 9.977e-02 2.716e-03 / CHEB/ -1.235e-01 -7.131e-02 2.104e-02 2.039e-02 / CHEB/ -9.519e-03 -2.949e-02 -1.453e-02 8.945e-03 /

1048.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.2	-6.2	-4.3	-3.5
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-6.8	-4.5	-3.7

Chebyshev(coeffs=[[-8.18156,-1.96109,-0.371465,0.0212148],[11.1024,1.50559,0.0463123,-0.104583],[-0.234294,0.376029,0.157455,-0.0140652],[-0.257937,-0.0795063,0.0593856,0.0305555],[-0.0882942,-0.078148,-0.0125,0.0172805],[-0.0160967,-0.00995897,-0.0161612,-0.000810109]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.47
S298 (cal/mol*K) = 1.42
G298 (kcal/mol) = 33.05

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H7(158); C2H4(115), C2H3(100); C2H4(115)+C5H6(62)(+M)=>C2H3(100)+C5H7(158)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.182e+00 -1.961e+00 -3.715e-01 2.121e-02 / CHEB/ 1.110e+01 1.506e+00 4.631e-02 -1.046e-01 / CHEB/ -2.343e-01 3.760e-01 1.575e-01 -1.407e-02 / CHEB/ -2.579e-01 -7.951e-02 5.939e-02 3.056e-02 / CHEB/ -8.829e-02 -7.815e-02 -1.250e-02 1.728e-02 / CHEB/ -1.610e-02 -9.959e-03 -1.616e-02 -8.101e-04 /

1049.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-4.2	-1.0	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-4.5	-1.1	+0.6

Chebyshev(coeffs=[[-4.63852,-1.18832,-0.111838,-0.0126707],[10.0067,0.913767,-0.101107,-0.0462343],[1.11861,0.277192,0.080526,-0.00633562],[0.173787,-0.0710706,0.0595042,0.011059],[0.00460484,-0.0773306,0.0111967,0.0170547],[-0.0321661,-0.00864512,-0.0125757,0.00650271]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.62
S298 (cal/mol*K) = -17.27
G298 (kcal/mol) = 23.76

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(159); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(159)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.639e+00 -1.188e+00 -1.118e-01 -1.267e-02 / CHEB/ 1.001e+01 9.138e-01 -1.011e-01 -4.623e-02 / CHEB/ 1.119e+00 2.772e-01 8.053e-02 -6.336e-03 / CHEB/ 1.738e-01 -7.107e-02 5.950e-02 1.106e-02 / CHEB/ 4.605e-03 -7.733e-02 1.120e-02 1.705e-02 / CHEB/ -3.217e-02 -8.645e-03 -1.258e-02 6.503e-03 /

1050.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.2	-7.7	-5.7	-4.9
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-8.4	-6.0	-5.0

Chebyshev(coeffs=[[-8.82036,-2.17154,-0.298347,0.015528],[9.95383,1.54802,-0.065561,-0.0794374],[0.111463,0.481409,0.143025,-0.0329698],[-0.194698,-0.035957,0.0861115,0.0180737],[-0.0738214,-0.0866899,0.00223636,0.0220821],[0.0159101,-0.0237357,-0.0179053,0.00460159]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.35
S298 (cal/mol*K) = -18.15
G298 (kcal/mol) = 29.75

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(160); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(160)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.820e+00 -2.172e+00 -2.983e-01 1.553e-02 / CHEB/ 9.954e+00 1.548e+00 -6.556e-02 -7.944e-02 / CHEB/ 1.115e-01 4.814e-01 1.430e-01 -3.297e-02 / CHEB/ -1.947e-01 -3.596e-02 8.611e-02 1.807e-02 / CHEB/ -7.382e-02 -8.669e-02 2.236e-03 2.208e-02 / CHEB/ 1.591e-02 -2.374e-02 -1.791e-02 4.602e-03 /

1051.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.8	-11.4	-8.3	-6.8
log₁₀(k(10 bar)/[mole,m,s])	-23.1	-11.7	-8.4	-6.9

Chebyshev(coeffs=[[-15.5316,-1.5762,-0.451838,-0.000893455],[14.8945,1.30669,0.208903,-0.0999706],[-0.0903743,0.232437,0.143475,0.01999],[-0.152171,-0.107151,0.0145669,0.0333227],[-0.0491098,-0.0541726,-0.0227625,0.00506992],[-0.0169306,0.00598887,-0.00796518,-0.0050701]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 45.65
S298 (cal/mol*K) = -12.53
G298 (kcal/mol) = 49.38

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(161); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(161)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.553e+01 -1.576e+00 -4.518e-01 -8.935e-04 / CHEB/ 1.489e+01 1.307e+00 2.089e-01 -9.997e-02 / CHEB/ -9.037e-02 2.324e-01 1.435e-01 1.999e-02 / CHEB/ -1.522e-01 -1.072e-01 1.457e-02 3.332e-02 / CHEB/ -4.911e-02 -5.417e-02 -2.276e-02 5.070e-03 / CHEB/ -1.693e-02 5.989e-03 -7.965e-03 -5.070e-03 /

1052.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.8	-11.4	-8.3	-6.8
log₁₀(k(10 bar)/[mole,m,s])	-23.1	-11.7	-8.4	-6.9

H298 (kcal/mol) = 45.65
S298 (cal/mol*K) = -12.53
G298 (kcal/mol) = 49.38

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(162); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(162)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.553e+01 -1.576e+00 -4.518e-01 -8.935e-04 / CHEB/ 1.489e+01 1.307e+00 2.089e-01 -9.997e-02 / CHEB/ -9.037e-02 2.324e-01 1.435e-01 1.999e-02 / CHEB/ -1.522e-01 -1.072e-01 1.457e-02 3.332e-02 / CHEB/ -4.911e-02 -5.417e-02 -2.276e-02 5.070e-03 / CHEB/ -1.693e-02 5.989e-03 -7.965e-03 -5.070e-03 /

1053.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.4	-10.6	-7.7	-6.4
log₁₀(k(10 bar)/[mole,m,s])	-21.8	-11.0	-7.9	-6.5

Chebyshev(coeffs=[[-14.1945,-1.70952,-0.430958,0.0108321],[13.9779,1.38918,0.159141,-0.108459],[-0.0690216,0.276217,0.152932,0.00940797],[-0.162366,-0.103411,0.0287889,0.0348939],[-0.0528501,-0.0632679,-0.021316,0.00922885],[-0.0137362,0.00157514,-0.0111731,-0.0044141]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.15
S298 (cal/mol*K) = -12.53
G298 (kcal/mol) = 45.88

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(163); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(163)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.419e+01 -1.710e+00 -4.310e-01 1.083e-02 / CHEB/ 1.398e+01 1.389e+00 1.591e-01 -1.085e-01 / CHEB/ -6.902e-02 2.762e-01 1.529e-01 9.408e-03 / CHEB/ -1.624e-01 -1.034e-01 2.879e-02 3.489e-02 / CHEB/ -5.285e-02 -6.327e-02 -2.132e-02 9.229e-03 / CHEB/ -1.374e-02 1.575e-03 -1.117e-02 -4.414e-03 /

1054.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.3	-10.0	-7.0	-5.6
log₁₀(k(10 bar)/[mole,m,s])	-21.6	-10.4	-7.1	-5.7

Chebyshev(coeffs=[[-14.0172,-1.63243,-0.444013,0.00453468],[14.6038,1.3428,0.188906,-0.104426],[-0.0611961,0.250229,0.147927,0.0157851],[-0.150018,-0.10614,0.0203571,0.0342508],[-0.0484855,-0.0580288,-0.02239,0.00677099],[-0.0148336,0.00424642,-0.00933402,-0.00488627]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.35
S298 (cal/mol*K) = -12.95
G298 (kcal/mol) = 48.20

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(164); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(164)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.402e+01 -1.632e+00 -4.440e-01 4.535e-03 / CHEB/ 1.460e+01 1.343e+00 1.889e-01 -1.044e-01 / CHEB/ -6.120e-02 2.502e-01 1.479e-01 1.579e-02 / CHEB/ -1.500e-01 -1.061e-01 2.036e-02 3.425e-02 / CHEB/ -4.849e-02 -5.803e-02 -2.239e-02 6.771e-03 / CHEB/ -1.483e-02 4.246e-03 -9.334e-03 -4.886e-03 /

1055.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-2.7	-1.9	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-3.9	-2.5	-2.3

Chebyshev(coeffs=[[-0.990209,-2.45961,-0.187553,-0.000781803],[5.14285,1.20278,-0.211613,-0.0263634],[0.267634,0.64915,0.0489042,-0.0387028],[-0.380451,0.138949,0.0965715,-0.0133307],[-0.182104,-0.0291369,0.043853,0.010907],[-0.0308618,-0.0249563,-0.00422171,0.0108367]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.93
S298 (cal/mol*K) = -31.31
G298 (kcal/mol) = 0.40

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(165); C5H6(62), C7H10(165); C2H4(115)+C5H6(62)(+M)=>C7H10(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.902e-01 -2.460e+00 -1.876e-01 -7.818e-04 / CHEB/ 5.143e+00 1.203e+00 -2.116e-01 -2.636e-02 / CHEB/ 2.676e-01 6.491e-01 4.890e-02 -3.870e-02 / CHEB/ -3.805e-01 1.389e-01 9.657e-02 -1.333e-02 / CHEB/ -1.821e-01 -2.914e-02 4.385e-02 1.091e-02 / CHEB/ -3.086e-02 -2.496e-02 -4.222e-03 1.084e-02 /

1056.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-2.7	-1.8	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-3.8	-2.4	-2.1

Chebyshev(coeffs=[[-0.972045,-2.45888,-0.187753,-0.0008004],[5.27287,1.20445,-0.211442,-0.0264368],[0.293728,0.649105,0.0492572,-0.0387477],[-0.372748,0.138356,0.0966665,-0.0132814],[-0.179316,-0.0294589,0.0437553,0.0109722],[-0.029837,-0.0250293,-0.00429291,0.0108443]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.53
S298 (cal/mol*K) = -30.67
G298 (kcal/mol) = 0.61

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(166); C5H6(62), C7H10(166); C2H4(115)+C5H6(62)(+M)=>C7H10(166)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.720e-01 -2.459e+00 -1.878e-01 -8.004e-04 / CHEB/ 5.273e+00 1.204e+00 -2.114e-01 -2.644e-02 / CHEB/ 2.937e-01 6.491e-01 4.926e-02 -3.875e-02 / CHEB/ -3.727e-01 1.384e-01 9.667e-02 -1.328e-02 / CHEB/ -1.793e-01 -2.946e-02 4.376e-02 1.097e-02 / CHEB/ -2.984e-02 -2.503e-02 -4.293e-03 1.084e-02 /

1057.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-3.1	-1.0	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-3.5	-1.1	+0.1

Chebyshev(coeffs=[[-0.604811,-1.35883,-0.0709793,0.0350296],[5.48841,0.935356,-0.179154,-0.0977209],[1.06946,0.316349,0.0708069,-0.0122622],[0.123398,0.00110572,0.0586719,0.0109533],[0.00320609,-0.0545406,0.0229325,0.0110758],[0.00166608,-0.0323442,-0.00135493,0.0070257]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.92
S298 (cal/mol*K) = -36.39
G298 (kcal/mol) = -9.08

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(167); C5H6(62), C7H10(167); C2H4(115)+C5H6(62)(+M)=>C7H10(167)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.048e-01 -1.359e+00 -7.098e-02 3.503e-02 / CHEB/ 5.488e+00 9.354e-01 -1.792e-01 -9.772e-02 / CHEB/ 1.069e+00 3.163e-01 7.081e-02 -1.226e-02 / CHEB/ 1.234e-01 1.106e-03 5.867e-02 1.095e-02 / CHEB/ 3.206e-03 -5.454e-02 2.293e-02 1.108e-02 / CHEB/ 1.666e-03 -3.234e-02 -1.355e-03 7.026e-03 /

1058.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.9	-3.8	-2.6	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-10.6	-4.8	-3.1	-2.4

Chebyshev(coeffs=[[-2.60583,-2.39639,-0.207105,-0.0013788],[6.41046,1.34962,-0.189855,-0.033896],[0.105572,0.629785,0.0796693,-0.0423162],[-0.284698,0.085885,0.102231,-0.00717115],[0.0253194,-0.0568679,0.0345237,0.0165002],[0.0100758,-0.0312458,-0.00993831,0.0108618]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.53
S298 (cal/mol*K) = -30.67
G298 (kcal/mol) = 0.61

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(168); C5H6(62), C7H10(168); C2H4(115)+C5H6(62)(+M)=>C7H10(168)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.606e+00 -2.396e+00 -2.071e-01 -1.379e-03 / CHEB/ 6.410e+00 1.350e+00 -1.899e-01 -3.390e-02 / CHEB/ 1.056e-01 6.298e-01 7.967e-02 -4.232e-02 / CHEB/ -2.847e-01 8.589e-02 1.022e-01 -7.171e-03 / CHEB/ 2.532e-02 -5.687e-02 3.452e-02 1.650e-02 / CHEB/ 1.008e-02 -3.125e-02 -9.938e-03 1.086e-02 /

1059.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-4.3	-3.2	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-11.4	-5.4	-3.8	-3.4

Chebyshev(coeffs=[[-2.8988,-2.43503,-0.191043,-0.0014277],[5.78813,1.25125,-0.205639,-0.0284133],[0.366534,0.652335,0.0589912,-0.0396826],[-0.351831,0.124531,0.0995958,-0.0117789],[-0.166311,-0.0386884,0.041366,0.0126745],[-0.0246034,-0.0280594,-0.00628674,0.0110418]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.71
S298 (cal/mol*K) = -40.34
G298 (kcal/mol) = -4.69

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(169); C5H6(62), C7H10(169); C2H4(115)+C5H6(62)(+M)=>C7H10(169)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.899e+00 -2.435e+00 -1.910e-01 -1.428e-03 / CHEB/ 5.788e+00 1.251e+00 -2.056e-01 -2.841e-02 / CHEB/ 3.665e-01 6.523e-01 5.899e-02 -3.968e-02 / CHEB/ -3.518e-01 1.245e-01 9.960e-02 -1.178e-02 / CHEB/ -1.663e-01 -3.869e-02 4.137e-02 1.267e-02 / CHEB/ -2.460e-02 -2.806e-02 -6.287e-03 1.104e-02 /

1060.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-3.6	-2.3	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-4.6	-2.8	-2.3

Chebyshev(coeffs=[[-2.73784,-2.40401,-0.207156,-0.00113867],[6.64438,1.33676,-0.191928,-0.0332678],[0.316825,0.62796,0.0778318,-0.0422857],[-0.337567,0.090025,0.101568,-0.00774436],[-0.152395,-0.0520763,0.0346173,0.0160225],[-0.0181583,-0.029173,-0.00957607,0.0107653]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.93
S298 (cal/mol*K) = -29.94
G298 (kcal/mol) = -0.01

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(170); C5H6(62), C7H10(170); C2H4(115)+C5H6(62)(+M)=>C7H10(170)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.738e+00 -2.404e+00 -2.072e-01 -1.139e-03 / CHEB/ 6.644e+00 1.337e+00 -1.919e-01 -3.327e-02 / CHEB/ 3.168e-01 6.280e-01 7.783e-02 -4.229e-02 / CHEB/ -3.376e-01 9.003e-02 1.016e-01 -7.744e-03 / CHEB/ -1.524e-01 -5.208e-02 3.462e-02 1.602e-02 / CHEB/ -1.816e-02 -2.917e-02 -9.576e-03 1.077e-02 /

1061.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	-2.2	-0.2	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-7.9	-2.7	-0.4	+0.7

Chebyshev(coeffs=[[0.432453,-1.48546,-0.0164021,0.0179346],[5.22398,0.994028,-0.213977,-0.0812002],[0.967986,0.392742,0.0302814,-0.00477183],[0.0837756,0.017373,0.0580861,0.00479661],[-0.000186914,-0.0756402,0.037304,0.00622221],[0.00288549,-0.048285,0.00508488,0.00799828]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.36
S298 (cal/mol*K) = -38.63
G298 (kcal/mol) = -7.85

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(171); C5H6(62), C7H10(171); C2H4(115)+C5H6(62)(+M)=>C7H10(171)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.325e-01 -1.485e+00 -1.640e-02 1.793e-02 / CHEB/ 5.224e+00 9.940e-01 -2.140e-01 -8.120e-02 / CHEB/ 9.680e-01 3.927e-01 3.028e-02 -4.772e-03 / CHEB/ 8.378e-02 1.737e-02 5.809e-02 4.797e-03 / CHEB/ -1.869e-04 -7.564e-02 3.730e-02 6.222e-03 / CHEB/ 2.885e-03 -4.828e-02 5.085e-03 7.998e-03 /

1062.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.1	-9.8	-8.0	-7.3
log₁₀(k(10 bar)/[mole,m,s])	-18.9	-10.6	-8.3	-7.4

Chebyshev(coeffs=[[-10.5407,-2.23492,-0.275904,0.0113886],[9.24983,1.52998,-0.10037,-0.0680022],[0.23461,0.515065,0.133159,-0.0378164],[-0.224327,-0.0113846,0.0928513,0.0123272],[-0.157284,-0.0810153,0.0086548,0.0220509],[0.0153338,-0.0263713,-0.0169906,0.00632178]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.39
S298 (cal/mol*K) = -34.84
G298 (kcal/mol) = 22.77

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(172); C5H6(62), C7H10(172); C2H4(115)+C5H6(62)(+M)=>C7H10(172)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.054e+01 -2.235e+00 -2.759e-01 1.139e-02 / CHEB/ 9.250e+00 1.530e+00 -1.004e-01 -6.800e-02 / CHEB/ 2.346e-01 5.151e-01 1.332e-01 -3.782e-02 / CHEB/ -2.243e-01 -1.138e-02 9.285e-02 1.233e-02 / CHEB/ -1.573e-01 -8.102e-02 8.655e-03 2.205e-02 / CHEB/ 1.533e-02 -2.637e-02 -1.699e-02 6.322e-03 /

1063.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.1	-8.2	-6.6	-6.0
log₁₀(k(10 bar)/[mole,m,s])	-16.8	-9.1	-7.0	-6.2

Chebyshev(coeffs=[[-8.58261,-2.30032,-0.252963,0.00667132],[8.59194,1.48961,-0.134397,-0.0554342],[0.182182,0.553126,0.117427,-0.0416195],[-0.280021,0.0195,0.0979867,0.00561765],[-0.117712,-0.0746399,0.0174958,0.0210195],[-0.00867012,-0.0286964,-0.0154227,0.00824443]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.57
S298 (cal/mol*K) = -33.37
G298 (kcal/mol) = 13.51

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(173); C5H6(62), C7H10(173); C2H4(115)+C5H6(62)(+M)=>C7H10(173)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.583e+00 -2.300e+00 -2.530e-01 6.671e-03 / CHEB/ 8.592e+00 1.490e+00 -1.344e-01 -5.543e-02 / CHEB/ 1.822e-01 5.531e-01 1.174e-01 -4.162e-02 / CHEB/ -2.800e-01 1.950e-02 9.799e-02 5.618e-03 / CHEB/ -1.177e-01 -7.464e-02 1.750e-02 2.102e-02 / CHEB/ -8.670e-03 -2.870e-02 -1.542e-02 8.244e-03 /

1064.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-5.7	-3.4	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-6.4	-3.5	-1.9

Chebyshev(coeffs=[[-3.72111,-2.2396,-0.113485,0.0100667],[6.43072,1.54353,-0.104192,-0.0166613],[1.07613,0.767836,0.0718278,-0.0478386],[0.112513,0.0830061,0.0647838,-0.0255705],[0.0747249,-0.150961,0.00968769,0.0103906],[0.0723987,-0.136745,-0.0155605,0.0221259]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.56
S298 (cal/mol*K) = -38.75
G298 (kcal/mol) = -0.01

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(174); C5H6(62), C7H10(174); C2H4(115)+C5H6(62)(+M)=>C7H10(174)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.721e+00 -2.240e+00 -1.135e-01 1.007e-02 / CHEB/ 6.431e+00 1.544e+00 -1.042e-01 -1.666e-02 / CHEB/ 1.076e+00 7.678e-01 7.183e-02 -4.784e-02 / CHEB/ 1.125e-01 8.301e-02 6.478e-02 -2.557e-02 / CHEB/ 7.472e-02 -1.510e-01 9.688e-03 1.039e-02 / CHEB/ 7.240e-02 -1.367e-01 -1.556e-02 2.213e-02 /

1065.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.5	-8.3	-5.1	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-17.3	-8.8	-5.2	-3.1

Chebyshev(coeffs=[[-8.41941,-2.14543,-0.201412,0.0207432],[9.86633,1.71192,-0.0368219,-0.0429982],[1.01567,0.609552,0.144298,-0.0404758],[0.255261,-0.0429051,0.0696236,-0.000835956],[0.123313,-0.172291,-0.0204306,0.0169774],[0.0370882,-0.0997661,-0.0324394,0.0123065]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.74
S298 (cal/mol*K) = -33.13
G298 (kcal/mol) = 19.61

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(175); C5H6(62), C7H10(175); C2H4(115)+C5H6(62)(+M)=>C7H10(175)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.419e+00 -2.145e+00 -2.014e-01 2.074e-02 / CHEB/ 9.866e+00 1.712e+00 -3.682e-02 -4.300e-02 / CHEB/ 1.016e+00 6.096e-01 1.443e-01 -4.048e-02 / CHEB/ 2.553e-01 -4.291e-02 6.962e-02 -8.360e-04 / CHEB/ 1.233e-01 -1.723e-01 -2.043e-02 1.698e-02 / CHEB/ 3.709e-02 -9.977e-02 -3.244e-02 1.231e-02 /

1066.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.1	-7.7	-6.3	-5.9
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-8.7	-6.7	-6.2

Chebyshev(coeffs=[[-7.46387,-2.35653,-0.228423,0.00150653],[7.57451,1.42855,-0.166521,-0.0425102],[0.234049,0.592412,0.0995262,-0.0434609],[-0.313042,0.0526368,0.101396,-0.0012533],[-0.136191,-0.0656161,0.0260014,0.0191687],[-0.0127819,-0.030016,-0.0130213,0.00977977]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.57
S298 (cal/mol*K) = -33.37
G298 (kcal/mol) = 13.51

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(176); C5H6(62), C7H10(176); C2H4(115)+C5H6(62)(+M)=>C7H10(176)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.464e+00 -2.357e+00 -2.284e-01 1.507e-03 / CHEB/ 7.575e+00 1.429e+00 -1.665e-01 -4.251e-02 / CHEB/ 2.340e-01 5.924e-01 9.953e-02 -4.346e-02 / CHEB/ -3.130e-01 5.264e-02 1.014e-01 -1.253e-03 / CHEB/ -1.362e-01 -6.562e-02 2.600e-02 1.917e-02 / CHEB/ -1.278e-02 -3.002e-02 -1.302e-02 9.780e-03 /

1067.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.9	-9.6	-7.7	-7.1
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-10.4	-8.1	-7.3

Chebyshev(coeffs=[[-10.4032,-2.2468,-0.274854,0.0114591],[9.38432,1.51953,-0.104025,-0.067094],[0.146407,0.520244,0.129479,-0.0383248],[-0.25515,-0.0048626,0.0932535,0.0112105],[-0.103637,-0.0793551,0.010791,0.0216728],[-0.00658752,-0.0263251,-0.0167007,0.0066966]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.39
S298 (cal/mol*K) = -34.84
G298 (kcal/mol) = 22.77

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(177); C5H6(62), C7H10(177); C2H4(115)+C5H6(62)(+M)=>C7H10(177)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.040e+01 -2.247e+00 -2.749e-01 1.146e-02 / CHEB/ 9.384e+00 1.520e+00 -1.040e-01 -6.709e-02 / CHEB/ 1.464e-01 5.202e-01 1.295e-01 -3.832e-02 / CHEB/ -2.551e-01 -4.863e-03 9.325e-02 1.121e-02 / CHEB/ -1.036e-01 -7.936e-02 1.079e-02 2.167e-02 / CHEB/ -6.588e-03 -2.633e-02 -1.670e-02 6.697e-03 /

1068.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-7.4	-5.9	-5.5
log₁₀(k(10 bar)/[mole,m,s])	-15.7	-8.4	-6.4	-5.7

Chebyshev(coeffs=[[-7.31914,-2.34788,-0.232298,0.00223535],[7.83144,1.4408,-0.161613,-0.0444542],[0.243448,0.58599,0.102762,-0.0433562],[-0.301938,0.0468551,0.101031,-0.000119859],[-0.131253,-0.0673944,0.0245704,0.0195627],[-0.0113216,-0.029935,-0.0134893,0.00955686]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.77
S298 (cal/mol*K) = -33.79
G298 (kcal/mol) = 15.84

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(178); C5H6(62), C7H10(178); C2H4(115)+C5H6(62)(+M)=>C7H10(178)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.319e+00 -2.348e+00 -2.323e-01 2.235e-03 / CHEB/ 7.831e+00 1.441e+00 -1.616e-01 -4.445e-02 / CHEB/ 2.434e-01 5.860e-01 1.028e-01 -4.336e-02 / CHEB/ -3.019e-01 4.686e-02 1.010e-01 -1.199e-04 / CHEB/ -1.313e-01 -6.739e-02 2.457e-02 1.956e-02 / CHEB/ -1.132e-02 -2.994e-02 -1.349e-02 9.557e-03 /

1069.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.5	-7.9	-4.7	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-17.0	-8.3	-4.8	-3.0

Chebyshev(coeffs=[[-8.22744,-1.9767,-0.127616,0.0356009],[10.001,1.6997,-0.0640196,-0.0642839],[0.954915,0.417648,0.0606727,-0.0543034],[0.185349,-0.119715,0.0602922,0.0140023],[0.0745472,-0.147102,0.00737516,0.0309644],[0.00305995,-0.0476272,-0.0140841,0.0115774]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.74
S298 (cal/mol*K) = -33.13
G298 (kcal/mol) = 19.61

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(179); C5H6(62), C7H10(179); C2H4(115)+C5H6(62)(+M)=>C7H10(179)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.227e+00 -1.977e+00 -1.276e-01 3.560e-02 / CHEB/ 1.000e+01 1.700e+00 -6.402e-02 -6.428e-02 / CHEB/ 9.549e-01 4.176e-01 6.067e-02 -5.430e-02 / CHEB/ 1.853e-01 -1.197e-01 6.029e-02 1.400e-02 / CHEB/ 7.455e-02 -1.471e-01 7.375e-03 3.096e-02 / CHEB/ 3.060e-03 -4.763e-02 -1.408e-02 1.158e-02 /

1070.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-7.5	-6.1	-5.7
log₁₀(k(10 bar)/[mole,m,s])	-15.5	-8.5	-6.5	-6.0

Chebyshev(coeffs=[[-7.14284,-2.36838,-0.223067,0.000597787],[7.43245,1.40962,-0.173181,-0.0399342],[0.270727,0.601401,0.0947366,-0.0434578],[-0.314179,0.0610631,0.101762,-0.00285069],[-0.138371,-0.0628752,0.0280441,0.018546],[-0.0132531,-0.0300277,-0.0123053,0.0100712]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.77
S298 (cal/mol*K) = -33.79
G298 (kcal/mol) = 15.84

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(180); C5H6(62), C7H10(180); C2H4(115)+C5H6(62)(+M)=>C7H10(180)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.143e+00 -2.368e+00 -2.231e-01 5.978e-04 / CHEB/ 7.432e+00 1.410e+00 -1.732e-01 -3.993e-02 / CHEB/ 2.707e-01 6.014e-01 9.474e-02 -4.346e-02 / CHEB/ -3.142e-01 6.106e-02 1.018e-01 -2.851e-03 / CHEB/ -1.384e-01 -6.288e-02 2.804e-02 1.855e-02 / CHEB/ -1.325e-02 -3.003e-02 -1.231e-02 1.007e-02 /

1071.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-3.4	-2.2	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-4.5	-2.7	-2.3

Chebyshev(coeffs=[[-2.50104,-2.41062,-0.20437,-0.00126253],[6.48841,1.32101,-0.19501,-0.0322524],[0.323216,0.632283,0.0743632,-0.0418985],[-0.341851,0.0958952,0.101265,-0.00859999],[-0.155229,-0.0496357,0.0358555,0.0154505],[-0.0193073,-0.0288453,-0.00897973,0.0108474]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.63
S298 (cal/mol*K) = -27.08
G298 (kcal/mol) = 11.70

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(181); C5H6(62), C7H10(181); C2H4(115)+C5H6(62)(+M)=>C7H10(181)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.501e+00 -2.411e+00 -2.044e-01 -1.263e-03 / CHEB/ 6.488e+00 1.321e+00 -1.950e-01 -3.225e-02 / CHEB/ 3.232e-01 6.323e-01 7.436e-02 -4.190e-02 / CHEB/ -3.419e-01 9.590e-02 1.013e-01 -8.600e-03 / CHEB/ -1.552e-01 -4.964e-02 3.586e-02 1.545e-02 / CHEB/ -1.931e-02 -2.885e-02 -8.980e-03 1.085e-02 /

1072.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-2.9	-0.9	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-3.7	-1.2	-0.4

Chebyshev(coeffs=[[-4.2015,-2.18796,-0.295436,0.0151483],[10.0837,1.53836,-0.0730461,-0.0772966],[0.173518,0.486742,0.140705,-0.0340475],[-0.251137,-0.0269418,0.087369,0.016574],[-0.140193,-0.0806975,0.00389128,0.0216149],[-0.0102009,-0.0228273,-0.0174609,0.00486971]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.48
S298 (cal/mol*K) = -19.42
G298 (kcal/mol) = 10.26

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(182); C5H6(62), C7H10(182); C2H4(115)+C5H6(62)(+M)=>C7H10(182)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.201e+00 -2.188e+00 -2.954e-01 1.515e-02 / CHEB/ 1.008e+01 1.538e+00 -7.305e-02 -7.730e-02 / CHEB/ 1.735e-01 4.867e-01 1.407e-01 -3.405e-02 / CHEB/ -2.511e-01 -2.694e-02 8.737e-02 1.657e-02 / CHEB/ -1.402e-01 -8.070e-02 3.891e-03 2.161e-02 / CHEB/ -1.020e-02 -2.283e-02 -1.746e-02 4.870e-03 /

1073.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-2.9	-0.9	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-3.7	-1.2	-0.4

H298 (kcal/mol) = 4.48
S298 (cal/mol*K) = -20.80
G298 (kcal/mol) = 10.67

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(183); C5H6(62), C7H10(183); C2H4(115)+C5H6(62)(+M)=>C7H10(183)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.201e+00 -2.188e+00 -2.954e-01 1.515e-02 / CHEB/ 1.008e+01 1.538e+00 -7.305e-02 -7.730e-02 / CHEB/ 1.735e-01 4.867e-01 1.407e-01 -3.405e-02 / CHEB/ -2.511e-01 -2.694e-02 8.737e-02 1.657e-02 / CHEB/ -1.402e-01 -8.070e-02 3.891e-03 2.161e-02 / CHEB/ -1.020e-02 -2.283e-02 -1.746e-02 4.870e-03 /

1074.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-0.9	+2.2	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-9.1	-1.2	+2.1	+3.7

Chebyshev(coeffs=[[-0.719775,-1.15778,-0.12915,0.0016031],[9.1326,0.881212,-0.0977327,-0.063891],[1.18358,0.240157,0.0998286,-0.00732151],[0.160704,-0.0477339,0.0513152,0.0150636],[0.00268119,-0.0555133,0.00551887,0.0161996],[-0.026495,-0.0130648,-0.00936561,0.00507848]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.60
S298 (cal/mol*K) = -19.81
G298 (kcal/mol) = 11.50

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(184); C5H6(62), C7H10(184); C2H4(115)+C5H6(62)(+M)=>C7H10(184)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.198e-01 -1.158e+00 -1.291e-01 1.603e-03 / CHEB/ 9.133e+00 8.812e-01 -9.773e-02 -6.389e-02 / CHEB/ 1.184e+00 2.402e-01 9.983e-02 -7.322e-03 / CHEB/ 1.607e-01 -4.773e-02 5.132e-02 1.506e-02 / CHEB/ 2.681e-03 -5.551e-02 5.519e-03 1.620e-02 / CHEB/ -2.649e-02 -1.306e-02 -9.366e-03 5.078e-03 /

1075.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-7.5	-5.8	-5.2
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-8.3	-6.1	-5.4

Chebyshev(coeffs=[[-7.98127,-2.28004,-0.261426,0.00856464],[8.84259,1.50333,-0.122823,-0.0600019],[0.152874,0.54025,0.122428,-0.0404814],[-0.274223,0.00962627,0.0963174,0.00783111],[-0.113445,-0.0767611,0.0148234,0.0213638],[-0.00822547,-0.0278841,-0.0159962,0.00766218]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.86
S298 (cal/mol*K) = -38.61
G298 (kcal/mol) = 22.37

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(185); C5H6(62), C7H10(185); C2H4(115)+C5H6(62)(+M)=>C7H10(185)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.981e+00 -2.280e+00 -2.614e-01 8.565e-03 / CHEB/ 8.843e+00 1.503e+00 -1.228e-01 -6.000e-02 / CHEB/ 1.529e-01 5.402e-01 1.224e-01 -4.048e-02 / CHEB/ -2.742e-01 9.626e-03 9.632e-02 7.831e-03 / CHEB/ -1.134e-01 -7.676e-02 1.482e-02 2.136e-02 / CHEB/ -8.225e-03 -2.788e-02 -1.600e-02 7.662e-03 /

1076.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-3.8	-3.3	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-5.1	-4.0	-4.0

Chebyshev(coeffs=[[-1.44621,-2.50768,-0.176573,0.000756832],[4.0695,1.09922,-0.219766,-0.0219143],[0.152212,0.641997,0.0278698,-0.0360269],[-0.403339,0.172828,0.0893161,-0.0156654],[-0.203494,-0.00767843,0.0489478,0.00703949],[-0.0421885,-0.0193806,0.000367625,0.0100231]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.26
S298 (cal/mol*K) = -47.82
G298 (kcal/mol) = 1.99

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(186); C5H6(62), C7H10(186); C2H4(115)+C5H6(62)(+M)=>C7H10(186)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.446e+00 -2.508e+00 -1.766e-01 7.568e-04 / CHEB/ 4.070e+00 1.099e+00 -2.198e-01 -2.191e-02 / CHEB/ 1.522e-01 6.420e-01 2.787e-02 -3.603e-02 / CHEB/ -4.033e-01 1.728e-01 8.932e-02 -1.567e-02 / CHEB/ -2.035e-01 -7.678e-03 4.895e-02 7.039e-03 / CHEB/ -4.219e-02 -1.938e-02 3.676e-04 1.002e-02 /

1077.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-3.0	-0.9	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-3.4	-1.0	-0.0

Chebyshev(coeffs=[[-3.12084,-1.07631,-0.294336,-0.0595168],[8.94457,0.757005,0.0894138,-0.00207189],[0.228853,0.155489,0.0424072,-0.0167999],[-0.017747,-0.0219225,0.0274419,0.00300659],[-0.0433549,-0.0191942,0.0128466,0.0133795],[-0.0292657,-0.00393186,0.00026347,0.007127]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.51
S298 (cal/mol*K) = -7.43
G298 (kcal/mol) = 27.73

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C4H5(156); C2H4(115), C3H5(129); C2H4(115)+C5H6(62)(+M)=>C3H5(129)+C4H5(156)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.121e+00 -1.076e+00 -2.943e-01 -5.952e-02 / CHEB/ 8.945e+00 7.570e-01 8.941e-02 -2.072e-03 / CHEB/ 2.289e-01 1.555e-01 4.241e-02 -1.680e-02 / CHEB/ -1.775e-02 -2.192e-02 2.744e-02 3.007e-03 / CHEB/ -4.335e-02 -1.919e-02 1.285e-02 1.338e-02 / CHEB/ -2.927e-02 -3.932e-03 2.635e-04 7.127e-03 /

1078.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-6.5	-3.4	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-16.0	-6.8	-3.5	-2.0

Chebyshev(coeffs=[[-8.6015,-0.93467,-0.305564,-0.0489715],[12.2335,0.665362,0.121746,-0.0189712],[0.356342,0.131181,0.0482698,-0.00822956],[0.0447533,-0.0287725,0.0196624,0.0102257],[-0.0233005,-0.0166775,0.00530895,0.0114871],[-0.0291163,-0.000692229,-0.00106222,0.00401425]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.33
S298 (cal/mol*K) = -17.08
G298 (kcal/mol) = 40.41

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(187); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(187)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.601e+00 -9.347e-01 -3.056e-01 -4.897e-02 / CHEB/ 1.223e+01 6.654e-01 1.217e-01 -1.897e-02 / CHEB/ 3.563e-01 1.312e-01 4.827e-02 -8.230e-03 / CHEB/ 4.475e-02 -2.877e-02 1.966e-02 1.023e-02 / CHEB/ -2.330e-02 -1.668e-02 5.309e-03 1.149e-02 / CHEB/ -2.912e-02 -6.922e-04 -1.062e-03 4.014e-03 /

1079.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-4.4	-1.9	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-4.8	-2.1	-0.8

Chebyshev(coeffs=[[-4.4585,-1.14379,-0.292237,-0.070054],[9.08612,0.795317,0.0801542,0.0125972],[0.553145,0.167768,0.0360411,-0.0199809],[0.0572331,-0.0164313,0.0291626,-0.00214378],[-0.0180908,-0.0191306,0.0174842,0.0132935],[-0.0161435,-0.0055239,0.00197754,0.00873303]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.23
S298 (cal/mol*K) = -24.63
G298 (kcal/mol) = 29.57

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(188); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(188)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.458e+00 -1.144e+00 -2.922e-01 -7.005e-02 / CHEB/ 9.086e+00 7.953e-01 8.015e-02 1.260e-02 / CHEB/ 5.531e-01 1.678e-01 3.604e-02 -1.998e-02 / CHEB/ 5.723e-02 -1.643e-02 2.916e-02 -2.144e-03 / CHEB/ -1.809e-02 -1.913e-02 1.748e-02 1.329e-02 / CHEB/ -1.614e-02 -5.524e-03 1.978e-03 8.733e-03 /

1080.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.4	-7.7	-4.0	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-19.0	-7.9	-4.1	-2.3

Chebyshev(coeffs=[[-11.5296,-0.791451,-0.309978,-0.0531899],[14.8983,0.564293,0.151862,-0.0157303],[0.305577,0.107991,0.0469144,-0.000307797],[0.0399099,-0.0312325,0.0101409,0.0127785],[-0.0270657,-0.0119536,0.000924335,0.00813995],[-0.0354267,0.00211652,-0.00054095,0.00162184]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.83
S298 (cal/mol*K) = -16.43
G298 (kcal/mol) = 49.72

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(189); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(189)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.153e+01 -7.915e-01 -3.100e-01 -5.319e-02 / CHEB/ 1.490e+01 5.643e-01 1.519e-01 -1.573e-02 / CHEB/ 3.056e-01 1.080e-01 4.691e-02 -3.078e-04 / CHEB/ 3.991e-02 -3.123e-02 1.014e-02 1.278e-02 / CHEB/ -2.707e-02 -1.195e-02 9.243e-04 8.140e-03 / CHEB/ -3.543e-02 2.117e-03 -5.410e-04 1.622e-03 /

1081.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-6.4	-3.4	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-15.3	-6.8	-3.6	-2.0

Chebyshev(coeffs=[[-7.80247,-0.999901,-0.298781,-0.0519952],[11.2305,0.716956,0.106635,-0.0131509],[0.48726,0.140919,0.0475645,-0.0121128],[0.108307,-0.0283361,0.0236302,0.00782155],[-0.00133107,-0.0191955,0.00781001,0.0128426],[-0.00292694,-0.00252984,-0.00105093,0.00524994]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.03
S298 (cal/mol*K) = -24.75
G298 (kcal/mol) = 37.40

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(190); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(190)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.802e+00 -9.999e-01 -2.988e-01 -5.200e-02 / CHEB/ 1.123e+01 7.170e-01 1.066e-01 -1.315e-02 / CHEB/ 4.873e-01 1.409e-01 4.756e-02 -1.211e-02 / CHEB/ 1.083e-01 -2.834e-02 2.363e-02 7.822e-03 / CHEB/ -1.331e-03 -1.920e-02 7.810e-03 1.284e-02 / CHEB/ -2.927e-03 -2.530e-03 -1.051e-03 5.250e-03 /

1082.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.8	-9.8	-5.7	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-22.4	-10.0	-5.8	-3.8

Chebyshev(coeffs=[[-14.8867,-0.701635,-0.30353,-0.0602376],[16.8375,0.498829,0.162136,-0.00652688],[0.287777,0.0938542,0.0437545,0.00373332],[0.0346443,-0.0308986,0.00482251,0.012369],[-0.0309002,-0.00843298,-0.000252721,0.0057822],[-0.0390512,0.00344299,0.000165442,0.000632576]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 51.33
S298 (cal/mol*K) = -19.13
G298 (kcal/mol) = 57.03

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(191); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(191)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.489e+01 -7.016e-01 -3.035e-01 -6.024e-02 / CHEB/ 1.684e+01 4.988e-01 1.621e-01 -6.527e-03 / CHEB/ 2.878e-01 9.385e-02 4.375e-02 3.733e-03 / CHEB/ 3.464e-02 -3.090e-02 4.823e-03 1.237e-02 / CHEB/ -3.090e-02 -8.433e-03 -2.527e-04 5.782e-03 / CHEB/ -3.905e-02 3.443e-03 1.654e-04 6.326e-04 /

1083.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.8	-9.8	-5.7	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-22.4	-10.0	-5.8	-3.8

H298 (kcal/mol) = 51.33
S298 (cal/mol*K) = -19.13
G298 (kcal/mol) = 57.03

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(192); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(192)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.489e+01 -7.016e-01 -3.035e-01 -6.024e-02 / CHEB/ 1.684e+01 4.988e-01 1.621e-01 -6.527e-03 / CHEB/ 2.878e-01 9.385e-02 4.375e-02 3.733e-03 / CHEB/ 3.464e-02 -3.090e-02 4.823e-03 1.237e-02 / CHEB/ -3.090e-02 -8.433e-03 -2.527e-04 5.782e-03 / CHEB/ -3.905e-02 3.443e-03 1.654e-04 6.326e-04 /

1084.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.7	-5.8	-2.4	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-16.4	-6.0	-2.5	-0.9

Chebyshev(coeffs=[[-9.05797,-0.808649,-0.309374,-0.0516055],[14.0032,0.579917,0.149997,-0.0165018],[0.203375,0.112724,0.0486518,-0.0006105],[0.0131791,-0.0300979,0.0120443,0.0130757],[-0.0336561,-0.0121071,0.00169559,0.00884655],[-0.0366406,0.0019756,-0.000532429,0.0019657]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.83
S298 (cal/mol*K) = -7.70
G298 (kcal/mol) = 43.12

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(193); C2H4(115), CH2(137); C2H4(115)+C5H6(62)(+M)=>CH2(137)+C6H8(193)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.058e+00 -8.086e-01 -3.094e-01 -5.161e-02 / CHEB/ 1.400e+01 5.799e-01 1.500e-01 -1.650e-02 / CHEB/ 2.034e-01 1.127e-01 4.865e-02 -6.105e-04 / CHEB/ 1.318e-02 -3.010e-02 1.204e-02 1.308e-02 / CHEB/ -3.366e-02 -1.211e-02 1.696e-03 8.847e-03 / CHEB/ -3.664e-02 1.976e-03 -5.324e-04 1.966e-03 /

1085.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	-1.4	+0.1	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-6.4	-1.9	-0.2	+0.6

Chebyshev(coeffs=[[1.10587,-1.36216,-0.32802,-0.0855869],[4.98883,0.880384,0.105877,0.0241422],[0.585241,0.1996,0.00368907,-0.00485758],[-0.0318681,0.0172834,0.0172647,-0.0186603],[-0.0388039,-0.00669139,0.031437,0.00341793],[-0.0079757,-0.00819963,0.0136552,0.0112477]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.25
S298 (cal/mol*K) = -37.91
G298 (kcal/mol) = 8.05

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(194); C5H6(62), C7H10(194); C2H4(115)+C5H6(62)(+M)=>C7H10(194)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.106e+00 -1.362e+00 -3.280e-01 -8.559e-02 / CHEB/ 4.989e+00 8.804e-01 1.059e-01 2.414e-02 / CHEB/ 5.852e-01 1.996e-01 3.689e-03 -4.858e-03 / CHEB/ -3.187e-02 1.728e-02 1.726e-02 -1.866e-02 / CHEB/ -3.880e-02 -6.691e-03 3.144e-02 3.418e-03 / CHEB/ -7.976e-03 -8.200e-03 1.366e-02 1.125e-02 /

1086.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	-1.3	+0.3	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-6.4	-1.8	-0.0	+0.8

Chebyshev(coeffs=[[1.11974,-1.36095,-0.327747,-0.0856764],[5.12415,0.880143,0.105706,0.024339],[0.611341,0.199499,0.00379936,-0.00502122],[-0.0239225,0.0170367,0.0174116,-0.0186307],[-0.0361948,-0.00683956,0.0314072,0.00351107],[-0.0071319,-0.00821939,0.0135722,0.0112662]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.85
S298 (cal/mol*K) = -37.27
G298 (kcal/mol) = 8.26

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(195); C5H6(62), C7H10(195); C2H4(115)+C5H6(62)(+M)=>C7H10(195)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.120e+00 -1.361e+00 -3.277e-01 -8.568e-02 / CHEB/ 5.124e+00 8.801e-01 1.057e-01 2.434e-02 / CHEB/ 6.113e-01 1.995e-01 3.799e-03 -5.021e-03 / CHEB/ -2.392e-02 1.704e-02 1.741e-02 -1.863e-02 / CHEB/ -3.619e-02 -6.840e-03 3.141e-02 3.511e-03 / CHEB/ -7.132e-03 -8.219e-03 1.357e-02 1.127e-02 /

1087.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	-2.3	-0.3	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-2.8	-0.5	+0.6

Chebyshev(coeffs=[[-1.02415,-1.26304,-0.304789,-0.0872469],[6.97923,0.849048,0.0865747,0.0328352],[0.630231,0.189398,0.0180024,-0.01778],[0.0260136,-0.00133892,0.0263301,-0.0126736],[-0.0252252,-0.0154129,0.0264799,0.009932],[-0.00982244,-0.00793956,0.00735265,0.0111407]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.25
S298 (cal/mol*K) = -37.91
G298 (kcal/mol) = 8.05

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(196); C5H6(62), C7H10(196); C2H4(115)+C5H6(62)(+M)=>C7H10(196)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.024e+00 -1.263e+00 -3.048e-01 -8.725e-02 / CHEB/ 6.979e+00 8.490e-01 8.657e-02 3.284e-02 / CHEB/ 6.302e-01 1.894e-01 1.800e-02 -1.778e-02 / CHEB/ 2.601e-02 -1.339e-03 2.633e-02 -1.267e-02 / CHEB/ -2.523e-02 -1.541e-02 2.648e-02 9.932e-03 / CHEB/ -9.822e-03 -7.940e-03 7.353e-03 1.114e-02 /

1088.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	-1.5	+0.2	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-6.4	-2.0	-0.1	+0.9

Chebyshev(coeffs=[[1.22865,-0.892073,-0.0736214,8.91385e-05],[4.86445,0.381905,-0.146356,-0.0409858],[0.768319,0.287069,0.0296187,-0.0168725],[0.0534699,0.0654423,0.0502919,-0.00407146],[-0.00450176,-0.0189674,0.0287287,0.00622367],[0.000376996,-0.0226419,0.00429863,0.0075212]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.85
S298 (cal/mol*K) = -37.27
G298 (kcal/mol) = 8.26

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(197); C5H6(62), C7H10(197); C2H4(115)+C5H6(62)(+M)=>C7H10(197)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.229e+00 -8.921e-01 -7.362e-02 8.914e-05 / CHEB/ 4.864e+00 3.819e-01 -1.464e-01 -4.099e-02 / CHEB/ 7.683e-01 2.871e-01 2.962e-02 -1.687e-02 / CHEB/ 5.347e-02 6.544e-02 5.029e-02 -4.071e-03 / CHEB/ -4.502e-03 -1.897e-02 2.873e-02 6.224e-03 / CHEB/ 3.770e-04 -2.264e-02 4.299e-03 7.521e-03 /

1089.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	-2.3	-0.3	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-2.8	-0.5	+0.6

H298 (kcal/mol) = -3.25
S298 (cal/mol*K) = -36.54
G298 (kcal/mol) = 7.64

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(198); C5H6(62), C7H10(198); C2H4(115)+C5H6(62)(+M)=>C7H10(198)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.024e+00 -1.263e+00 -3.048e-01 -8.725e-02 / CHEB/ 6.979e+00 8.490e-01 8.657e-02 3.284e-02 / CHEB/ 6.302e-01 1.894e-01 1.800e-02 -1.778e-02 / CHEB/ 2.601e-02 -1.339e-03 2.633e-02 -1.267e-02 / CHEB/ -2.523e-02 -1.541e-02 2.648e-02 9.932e-03 / CHEB/ -9.822e-03 -7.940e-03 7.353e-03 1.114e-02 /

1090.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-2.5	-1.2	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-3.1	-1.5	-0.8

Chebyshev(coeffs=[[0.245022,-1.39134,-0.334405,-0.0833738],[4.51422,0.88378,0.109127,0.0195099],[0.561149,0.202618,0.00154322,-0.00130755],[-0.0410528,0.0231988,0.0134438,-0.0189233],[-0.0421177,-0.00260204,0.0318453,0.00109031],[-0.00725336,-0.00744244,0.0157165,0.0105925]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.25
S298 (cal/mol*K) = -37.91
G298 (kcal/mol) = 8.05

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(199); C5H6(62), C7H10(199); C2H4(115)+C5H6(62)(+M)=>C7H10(199)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.450e-01 -1.391e+00 -3.344e-01 -8.337e-02 / CHEB/ 4.514e+00 8.838e-01 1.091e-01 1.951e-02 / CHEB/ 5.611e-01 2.026e-01 1.543e-03 -1.308e-03 / CHEB/ -4.105e-02 2.320e-02 1.344e-02 -1.892e-02 / CHEB/ -4.212e-02 -2.602e-03 3.185e-02 1.090e-03 / CHEB/ -7.253e-03 -7.442e-03 1.572e-02 1.059e-02 /

1091.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.5	-3.7	-1.9	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-4.2	-2.2	-1.2

Chebyshev(coeffs=[[-1.84751,-1.30617,-0.314642,-0.0884677],[6.05785,0.864468,0.095433,0.0318522],[0.614964,0.194922,0.0107506,-0.0128732],[-0.00144759,0.00618853,0.0231223,-0.0159821],[-0.0316577,-0.0123565,0.0291889,0.00742778],[-0.00897616,-0.00841415,0.00995757,0.0115326]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.25
S298 (cal/mol*K) = -37.27
G298 (kcal/mol) = 17.36

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(200); C5H6(62), C7H10(200); C2H4(115)+C5H6(62)(+M)=>C7H10(200)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.848e+00 -1.306e+00 -3.146e-01 -8.847e-02 / CHEB/ 6.058e+00 8.645e-01 9.543e-02 3.185e-02 / CHEB/ 6.150e-01 1.949e-01 1.075e-02 -1.287e-02 / CHEB/ -1.448e-03 6.189e-03 2.312e-02 -1.598e-02 / CHEB/ -3.166e-02 -1.236e-02 2.919e-02 7.428e-03 / CHEB/ -8.976e-03 -8.414e-03 9.958e-03 1.153e-02 /

1092.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-3.9	-2.1	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-4.4	-2.4	-1.5

Chebyshev(coeffs=[[-2.0182,-1.30617,-0.314642,-0.0884677],[5.9911,0.864468,0.095433,0.0318522],[0.600225,0.194922,0.0107506,-0.0128732],[-0.0057872,0.00618853,0.0231223,-0.0159821],[-0.0330946,-0.0123565,0.0291889,0.00742778],[-0.00948236,-0.00841415,0.00995757,0.0115326]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.25
S298 (cal/mol*K) = -37.27
G298 (kcal/mol) = 17.36

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(201); C5H6(62), C7H10(201); C2H4(115)+C5H6(62)(+M)=>C7H10(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.018e+00 -1.306e+00 -3.146e-01 -8.847e-02 / CHEB/ 5.991e+00 8.645e-01 9.543e-02 3.185e-02 / CHEB/ 6.002e-01 1.949e-01 1.075e-02 -1.287e-02 / CHEB/ -5.787e-03 6.189e-03 2.312e-02 -1.598e-02 / CHEB/ -3.309e-02 -1.236e-02 2.919e-02 7.428e-03 / CHEB/ -9.482e-03 -8.414e-03 9.958e-03 1.153e-02 /

1093.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	-1.1	+0.5	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-1.6	+0.2	+1.1

Chebyshev(coeffs=[[1.42008,-1.37923,-0.331815,-0.084297],[5.04869,0.882954,0.107994,0.0213899],[0.648373,0.201255,0.00231815,-0.00268207],[-0.0154262,0.02074,0.0150782,-0.0189124],[-0.0333618,-0.00440704,0.0317551,0.00206156],[-0.00494717,-0.00783169,0.0148534,0.0109153]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.25
S298 (cal/mol*K) = -35.32
G298 (kcal/mol) = 9.28

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(202); C5H6(62), C7H10(202); C2H4(115)+C5H6(62)(+M)=>C7H10(202)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.420e+00 -1.379e+00 -3.318e-01 -8.430e-02 / CHEB/ 5.049e+00 8.830e-01 1.080e-01 2.139e-02 / CHEB/ 6.484e-01 2.013e-01 2.318e-03 -2.682e-03 / CHEB/ -1.543e-02 2.074e-02 1.508e-02 -1.891e-02 / CHEB/ -3.336e-02 -4.407e-03 3.176e-02 2.062e-03 / CHEB/ -4.947e-03 -7.832e-03 1.485e-02 1.092e-02 /

1094.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	-2.2	-0.2	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-8.3	-2.6	-0.4	+0.7

Chebyshev(coeffs=[[-0.742664,-1.27498,-0.307343,-0.087954],[6.76552,0.853502,0.0888723,0.0331332],[0.636681,0.191123,0.0159274,-0.016639],[0.0214114,0.000637325,0.0255592,-0.013658],[-0.0260649,-0.0146711,0.0272939,0.00930424],[-0.00922272,-0.00810862,0.0080459,0.011289]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.31
S298 (cal/mol*K) = -33.68
G298 (kcal/mol) = 19.35

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(203); C5H6(62), C7H10(203); C2H4(115)+C5H6(62)(+M)=>C7H10(203)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.427e-01 -1.275e+00 -3.073e-01 -8.795e-02 / CHEB/ 6.766e+00 8.535e-01 8.887e-02 3.313e-02 / CHEB/ 6.367e-01 1.911e-01 1.593e-02 -1.664e-02 / CHEB/ 2.141e-02 6.373e-04 2.556e-02 -1.366e-02 / CHEB/ -2.606e-02 -1.467e-02 2.729e-02 9.304e-03 / CHEB/ -9.223e-03 -8.109e-03 8.046e-03 1.129e-02 /

1095.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-1.6	+1.4	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-2.0	+1.2	+2.7

Chebyshev(coeffs=[[-3.16884,-1.01063,-0.298728,-0.0526802],[11.3319,0.71972,0.103515,-0.0121623],[0.54492,0.142149,0.0468369,-0.012886],[0.0538982,-0.0260671,0.0243747,0.00712246],[-0.0650685,-0.0175316,0.00874361,0.0128123],[-0.0275045,-0.00230458,-0.000754691,0.00551152]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.16
S298 (cal/mol*K) = -26.02
G298 (kcal/mol) = 17.91

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(204); C5H6(62), C7H10(204); C2H4(115)+C5H6(62)(+M)=>C7H10(204)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.169e+00 -1.011e+00 -2.987e-01 -5.268e-02 / CHEB/ 1.133e+01 7.197e-01 1.035e-01 -1.216e-02 / CHEB/ 5.449e-01 1.421e-01 4.684e-02 -1.289e-02 / CHEB/ 5.390e-02 -2.607e-02 2.437e-02 7.122e-03 / CHEB/ -6.507e-02 -1.753e-02 8.744e-03 1.281e-02 / CHEB/ -2.750e-02 -2.305e-03 -7.547e-04 5.512e-03 /

1096.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-1.6	+1.4	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-2.0	+1.2	+2.7

H298 (kcal/mol) = 10.16
S298 (cal/mol*K) = -27.40
G298 (kcal/mol) = 18.32

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(205); C5H6(62), C7H10(205); C2H4(115)+C5H6(62)(+M)=>C7H10(205)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.169e+00 -1.011e+00 -2.987e-01 -5.268e-02 / CHEB/ 1.133e+01 7.197e-01 1.035e-01 -1.216e-02 / CHEB/ 5.449e-01 1.421e-01 4.684e-02 -1.289e-02 / CHEB/ 5.390e-02 -2.607e-02 2.437e-02 7.122e-03 / CHEB/ -6.507e-02 -1.753e-02 8.744e-03 1.281e-02 / CHEB/ -2.750e-02 -2.305e-03 -7.547e-04 5.512e-03 /

1098.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	-3.1	-0.9	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-3.1	-0.9	+0.6

Chebyshev(coeffs=[[0.0475889,-8.37797e-07,-5.83169e-07,-3.23808e-07],[5.17731,2.88446e-07,2.0078e-07,1.11484e-07],[0.963158,1.62527e-07,1.13131e-07,6.28162e-08],[0.258558,1.65318e-07,1.15073e-07,6.38951e-08],[0.0933605,5.44805e-08,3.79226e-08,2.10569e-08],[0.0328304,-3.52068e-08,-2.45064e-08,-1.36072e-08]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.22
S298 (cal/mol*K) = -29.99
G298 (kcal/mol) = -11.28

! PDep reaction: PDepNetwork #14 ! Flux pairs: O2(2), S(238); C7H9(5), S(238); O2(2)+C7H9(5)(+M)=>S(238)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.759e-02 -8.378e-07 -5.832e-07 -3.238e-07 / CHEB/ 5.177e+00 2.884e-07 2.008e-07 1.115e-07 / CHEB/ 9.632e-01 1.625e-07 1.131e-07 6.282e-08 / CHEB/ 2.586e-01 1.653e-07 1.151e-07 6.390e-08 / CHEB/ 9.336e-02 5.448e-08 3.792e-08 2.106e-08 / CHEB/ 3.283e-02 -3.521e-08 -2.451e-08 -1.361e-08 /

1099.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	-4.2	-1.9	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-9.8	-4.2	-1.9	-0.6

Chebyshev(coeffs=[[-2.95667,-2.54938e-07,-1.77456e-07,-9.85339e-08],[7.72544,-2.44745e-07,-1.70361e-07,-9.45943e-08],[0.431806,3.21875e-08,2.24049e-08,1.24405e-08],[0.10221,1.40857e-07,9.80473e-08,5.44415e-08],[0.0415745,9.76933e-08,6.80019e-08,3.77585e-08],[0.0145845,1.05921e-08,7.3729e-09,4.09386e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.92
S298 (cal/mol*K) = -43.20
G298 (kcal/mol) = 11.95

! PDep reaction: PDepNetwork #14 ! Flux pairs: O2(2), S(239); C7H9(5), S(239); O2(2)+C7H9(5)(+M)=>S(239)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.957e+00 -2.549e-07 -1.775e-07 -9.853e-08 / CHEB/ 7.725e+00 -2.447e-07 -1.704e-07 -9.459e-08 / CHEB/ 4.318e-01 3.219e-08 2.240e-08 1.244e-08 / CHEB/ 1.022e-01 1.409e-07 9.805e-08 5.444e-08 / CHEB/ 4.157e-02 9.769e-08 6.800e-08 3.776e-08 / CHEB/ 1.458e-02 1.059e-08 7.373e-09 4.094e-09 /

1100.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.6	-5.4	-2.3	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-5.4	-2.3	-0.7

Chebyshev(coeffs=[[-6.64843,-1.52727e-07,-1.06309e-07,-5.9029e-08],[11.4846,-1.9316e-07,-1.34454e-07,-7.46566e-08],[0.364447,-3.09223e-08,-2.15242e-08,-1.19515e-08],[0.0822862,6.25511e-08,4.35402e-08,2.4176e-08],[0.0349606,6.49648e-08,4.52204e-08,2.51089e-08],[0.0122472,2.28557e-08,1.59093e-08,8.83376e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.10
S298 (cal/mol*K) = -46.18
G298 (kcal/mol) = 21.86

! PDep reaction: PDepNetwork #14 ! Flux pairs: O2(2), S(240); C7H9(5), S(240); O2(2)+C7H9(5)(+M)=>S(240)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.648e+00 -1.527e-07 -1.063e-07 -5.903e-08 / CHEB/ 1.148e+01 -1.932e-07 -1.345e-07 -7.466e-08 / CHEB/ 3.644e-01 -3.092e-08 -2.152e-08 -1.195e-08 / CHEB/ 8.229e-02 6.255e-08 4.354e-08 2.418e-08 / CHEB/ 3.496e-02 6.496e-08 4.522e-08 2.511e-08 / CHEB/ 1.225e-02 2.286e-08 1.591e-08 8.834e-09 /

1101.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	-0.9	-0.3	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-2.0	-0.9	-0.3	+0.2

Chebyshev(coeffs=[[4.27165,-4.14697e-05,-2.88498e-05,-1.60042e-05],[1.48005,3.55515e-05,2.47491e-05,1.37445e-05],[0.258988,1.74521e-05,1.21272e-05,6.71474e-06],[0.0986109,-6.18861e-06,-4.31896e-06,-2.40838e-06],[0.0403237,-8.15599e-06,-5.67034e-06,-3.14222e-06],[0.00995016,-9.67681e-07,-6.6397e-07,-3.59893e-07]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.94
S298 (cal/mol*K) = -32.18
G298 (kcal/mol) = -13.35

! PDep reaction: PDepNetwork #14 ! Flux pairs: O2(2), S(241); C7H9(5), S(241); O2(2)+C7H9(5)(+M)=>S(241)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.272e+00 -4.147e-05 -2.885e-05 -1.600e-05 / CHEB/ 1.480e+00 3.555e-05 2.475e-05 1.374e-05 / CHEB/ 2.590e-01 1.745e-05 1.213e-05 6.715e-06 / CHEB/ 9.861e-02 -6.189e-06 -4.319e-06 -2.408e-06 / CHEB/ 4.032e-02 -8.156e-06 -5.670e-06 -3.142e-06 / CHEB/ 9.950e-03 -9.677e-07 -6.640e-07 -3.599e-07 /

1102.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.1	-1.2	+0.2	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-4.1	-1.2	+0.2	+1.0

Chebyshev(coeffs=[[2.51392,-1.14326e-06,-7.95791e-07,-4.41868e-07],[3.8846,7.6967e-08,5.35755e-08,2.97488e-08],[0.444026,5.43174e-07,3.78088e-07,2.09935e-07],[0.105888,3.62651e-07,2.52431e-07,1.40163e-07],[0.0427977,5.79497e-08,4.03373e-08,2.23975e-08],[0.015017,-1.09116e-07,-7.59522e-08,-4.21722e-08]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.10
S298 (cal/mol*K) = -47.28
G298 (kcal/mol) = 12.99

! PDep reaction: PDepNetwork #14 ! Flux pairs: O2(2), S(242); C7H9(5), S(242); O2(2)+C7H9(5)(+M)=>S(242)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.514e+00 -1.143e-06 -7.958e-07 -4.419e-07 / CHEB/ 3.885e+00 7.697e-08 5.358e-08 2.975e-08 / CHEB/ 4.440e-01 5.432e-07 3.781e-07 2.099e-07 / CHEB/ 1.059e-01 3.627e-07 2.524e-07 1.402e-07 / CHEB/ 4.280e-02 5.795e-08 4.034e-08 2.240e-08 / CHEB/ 1.502e-02 -1.091e-07 -7.595e-08 -4.217e-08 /

1103.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-6.0	-3.5	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-6.0	-3.5	-2.1

Chebyshev(coeffs=[[-5.51796,-2.10011e-07,-1.46183e-07,-8.11694e-08],[8.82967,-2.25825e-07,-1.57191e-07,-8.72816e-08],[0.437946,3.45781e-09,2.40689e-09,1.33644e-09],[0.10406,1.08537e-07,7.55497e-08,4.19495e-08],[0.0421818,8.57527e-08,5.96903e-08,3.31435e-08],[0.0147963,1.68066e-08,1.16987e-08,6.49576e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.10
S298 (cal/mol*K) = -46.18
G298 (kcal/mol) = 21.86

! PDep reaction: PDepNetwork #14 ! Flux pairs: O2(2), S(243); C7H9(5), S(243); O2(2)+C7H9(5)(+M)=>S(243)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.518e+00 -2.100e-07 -1.462e-07 -8.117e-08 / CHEB/ 8.830e+00 -2.258e-07 -1.572e-07 -8.728e-08 / CHEB/ 4.379e-01 3.458e-09 2.407e-09 1.336e-09 / CHEB/ 1.041e-01 1.085e-07 7.555e-08 4.195e-08 / CHEB/ 4.218e-02 8.575e-08 5.969e-08 3.314e-08 / CHEB/ 1.480e-02 1.681e-08 1.170e-08 6.496e-09 /

1104.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.9	-5.6	-2.8	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-12.9	-5.6	-2.8	-1.2

Chebyshev(coeffs=[[-5.96882,-1.7531e-07,-1.22029e-07,-6.77576e-08],[10.1602,-2.07308e-07,-1.44302e-07,-8.01248e-08],[0.417384,-1.76946e-08,-1.23167e-08,-6.83896e-09],[0.0977915,8.14657e-08,5.67062e-08,3.14865e-08],[0.0401133,7.40844e-08,5.15683e-08,2.86337e-08],[0.0140661,2.07961e-08,1.44756e-08,8.0377e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.10
S298 (cal/mol*K) = -47.28
G298 (kcal/mol) = 12.99

! PDep reaction: PDepNetwork #14 ! Flux pairs: O2(2), S(244); C7H9(5), S(244); O2(2)+C7H9(5)(+M)=>S(244)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.969e+00 -1.753e-07 -1.220e-07 -6.776e-08 / CHEB/ 1.016e+01 -2.073e-07 -1.443e-07 -8.012e-08 / CHEB/ 4.174e-01 -1.769e-08 -1.232e-08 -6.839e-09 / CHEB/ 9.779e-02 8.147e-08 5.671e-08 3.149e-08 / CHEB/ 4.011e-02 7.408e-08 5.157e-08 2.863e-08 / CHEB/ 1.407e-02 2.080e-08 1.448e-08 8.038e-09 /

1105.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.2	-7.0	-1.8	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-22.2	-7.0	-1.8	+0.8

Chebyshev(coeffs=[[-14.9023,-8.4119e-08,-5.85531e-08,-3.25121e-08],[21.5491,-1.27148e-07,-8.85049e-08,-4.9143e-08],[0.0903175,-5.15046e-08,-3.58511e-08,-1.99066e-08],[0.0197824,6.62977e-09,4.61482e-09,2.56241e-09],[0.0143111,2.59719e-08,1.80784e-08,1.00382e-08],[0.00311028,1.75928e-08,1.2246e-08,6.79965e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.98
S298 (cal/mol*K) = -2.35
G298 (kcal/mol) = 68.68

! PDep reaction: PDepNetwork #14 ! Flux pairs: C7H9(5), S(245); O2(2), H(25); O2(2)+C7H9(5)(+M)=>H(25)+S(245)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.490e+01 -8.412e-08 -5.855e-08 -3.251e-08 / CHEB/ 2.155e+01 -1.271e-07 -8.850e-08 -4.914e-08 / CHEB/ 9.032e-02 -5.150e-08 -3.585e-08 -1.991e-08 / CHEB/ 1.978e-02 6.630e-09 4.615e-09 2.562e-09 / CHEB/ 1.431e-02 2.597e-08 1.808e-08 1.004e-08 / CHEB/ 3.110e-03 1.759e-08 1.225e-08 6.800e-09 /

1106.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.9	-14.2	-7.5	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-33.9	-14.2	-7.5	-4.1

Chebyshev(coeffs=[[-26.1365,-7.02952e-08,-4.89308e-08,-2.71692e-08],[27.7703,-1.09718e-07,-7.63722e-08,-4.24063e-08],[0.184131,-5.0483e-08,-3.514e-08,-1.95117e-08],[0.0320519,-2.19829e-09,-1.53017e-09,-8.49646e-10],[0.0173822,1.71279e-08,1.19223e-08,6.61994e-09],[0.00515784,1.39437e-08,9.70591e-09,5.38927e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.28
S298 (cal/mol*K) = -15.56
G298 (kcal/mol) = 91.92

! PDep reaction: PDepNetwork #14 ! Flux pairs: C7H9(5), S(246); O2(2), H(25); O2(2)+C7H9(5)(+M)=>H(25)+S(246)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.614e+01 -7.030e-08 -4.893e-08 -2.717e-08 / CHEB/ 2.777e+01 -1.097e-07 -7.637e-08 -4.241e-08 / CHEB/ 1.841e-01 -5.048e-08 -3.514e-08 -1.951e-08 / CHEB/ 3.205e-02 -2.198e-09 -1.530e-09 -8.496e-10 / CHEB/ 1.738e-02 1.713e-08 1.192e-08 6.620e-09 / CHEB/ 5.158e-03 1.394e-08 9.706e-09 5.389e-09 /

1107.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.3	-7.3	-2.2	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-22.3	-7.3	-2.2	+0.5

Chebyshev(coeffs=[[-14.9908,-8.60401e-08,-5.98904e-08,-3.32546e-08],[21.2797,-1.29586e-07,-9.02019e-08,-5.00853e-08],[0.103401,-5.1559e-08,-3.58889e-08,-1.99276e-08],[0.0407561,7.97918e-09,5.55411e-09,3.08396e-09],[0.0229568,2.72492e-08,1.89675e-08,1.05318e-08],[0.00457867,1.80549e-08,1.25676e-08,6.97824e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.26
S298 (cal/mol*K) = -4.54
G298 (kcal/mol) = 66.61

! PDep reaction: PDepNetwork #14 ! Flux pairs: C7H9(5), S(247); O2(2), H(25); O2(2)+C7H9(5)(+M)=>H(25)+S(247)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.499e+01 -8.604e-08 -5.989e-08 -3.325e-08 / CHEB/ 2.128e+01 -1.296e-07 -9.020e-08 -5.009e-08 / CHEB/ 1.034e-01 -5.156e-08 -3.589e-08 -1.993e-08 / CHEB/ 4.076e-02 7.979e-09 5.554e-09 3.084e-09 / CHEB/ 2.296e-02 2.725e-08 1.897e-08 1.053e-08 / CHEB/ 4.579e-03 1.805e-08 1.257e-08 6.978e-09 /

1108.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.8	-17.2	-9.8	-6.1
log₁₀(k(10 bar)/[mole,m,s])	-38.8	-17.2	-9.8	-6.1

Chebyshev(coeffs=[[-30.8594,-6.61302e-08,-4.60316e-08,-2.55594e-08],[30.567,-1.04297e-07,-7.25985e-08,-4.03109e-08],[0.183118,-4.98862e-08,-3.47246e-08,-1.92811e-08],[0.0299064,-4.66454e-09,-3.24686e-09,-1.80286e-09],[0.0160242,1.44508e-08,1.00588e-08,5.58526e-09],[0.00438704,1.2687e-08,8.83109e-09,4.90352e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.30
S298 (cal/mol*K) = -18.54
G298 (kcal/mol) = 101.83

! PDep reaction: PDepNetwork #14 ! Flux pairs: C7H9(5), S(248); O2(2), H(25); O2(2)+C7H9(5)(+M)=>H(25)+S(248)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.086e+01 -6.613e-08 -4.603e-08 -2.556e-08 / CHEB/ 3.057e+01 -1.043e-07 -7.260e-08 -4.031e-08 / CHEB/ 1.831e-01 -4.989e-08 -3.472e-08 -1.928e-08 / CHEB/ 2.991e-02 -4.665e-09 -3.247e-09 -1.803e-09 / CHEB/ 1.602e-02 1.445e-08 1.006e-08 5.585e-09 / CHEB/ 4.387e-03 1.269e-08 8.831e-09 4.904e-09 /

1109.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.8	-17.2	-9.8	-6.1
log₁₀(k(10 bar)/[mole,m,s])	-38.8	-17.2	-9.8	-6.1

H298 (kcal/mol) = 96.30
S298 (cal/mol*K) = -18.54
G298 (kcal/mol) = 101.83

! PDep reaction: PDepNetwork #14 ! Flux pairs: C7H9(5), S(249); O2(2), H(25); O2(2)+C7H9(5)(+M)=>H(25)+S(249)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.086e+01 -6.613e-08 -4.603e-08 -2.556e-08 / CHEB/ 3.057e+01 -1.043e-07 -7.260e-08 -4.031e-08 / CHEB/ 1.831e-01 -4.989e-08 -3.472e-08 -1.928e-08 / CHEB/ 2.991e-02 -4.665e-09 -3.247e-09 -1.803e-09 / CHEB/ 1.602e-02 1.445e-08 1.006e-08 5.585e-09 / CHEB/ 4.387e-03 1.269e-08 8.831e-09 4.904e-09 /

1110.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.1	-14.2	-7.4	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-34.1	-14.2	-7.4	-4.0

Chebyshev(coeffs=[[-26.2627,-6.99803e-08,-4.87115e-08,-2.70474e-08],[28.0276,-1.09308e-07,-7.60869e-08,-4.22479e-08],[0.203504,-5.04413e-08,-3.51109e-08,-1.94956e-08],[0.0362001,-2.38823e-09,-1.66238e-09,-9.23062e-10],[0.0187698,1.6925e-08,1.1781e-08,6.54152e-09],[0.00575684,1.38509e-08,9.64129e-09,5.35339e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.10
S298 (cal/mol*K) = -19.64
G298 (kcal/mol) = 92.95

! PDep reaction: PDepNetwork #14 ! Flux pairs: C7H9(5), S(250); O2(2), H(25); O2(2)+C7H9(5)(+M)=>H(25)+S(250)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.626e+01 -6.998e-08 -4.871e-08 -2.705e-08 / CHEB/ 2.803e+01 -1.093e-07 -7.609e-08 -4.225e-08 / CHEB/ 2.035e-01 -5.044e-08 -3.511e-08 -1.950e-08 / CHEB/ 3.620e-02 -2.388e-09 -1.662e-09 -9.231e-10 / CHEB/ 1.877e-02 1.692e-08 1.178e-08 6.542e-09 / CHEB/ 5.757e-03 1.385e-08 9.641e-09 5.353e-09 /

1111.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.1	-14.2	-7.4	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-34.1	-14.2	-7.4	-4.0

H298 (kcal/mol) = 87.10
S298 (cal/mol*K) = -19.64
G298 (kcal/mol) = 92.95

! PDep reaction: PDepNetwork #14 ! Flux pairs: C7H9(5), S(251); O2(2), H(25); O2(2)+C7H9(5)(+M)=>H(25)+S(251)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.626e+01 -6.998e-08 -4.871e-08 -2.705e-08 / CHEB/ 2.803e+01 -1.093e-07 -7.609e-08 -4.225e-08 / CHEB/ 2.035e-01 -5.044e-08 -3.511e-08 -1.950e-08 / CHEB/ 3.620e-02 -2.388e-09 -1.662e-09 -9.231e-10 / CHEB/ 1.877e-02 1.692e-08 1.178e-08 6.542e-09 / CHEB/ 5.757e-03 1.385e-08 9.641e-09 5.353e-09 /

1112.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	-1.2	-0.3	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-3.3	-1.2	-0.3	+0.2

Chebyshev(coeffs=[[3.01375,-1.95844e-06,-1.36321e-06,-7.56927e-07],[2.90097,1.62664e-07,1.1323e-07,6.28759e-08],[0.202754,1.19959e-06,8.34996e-07,4.6363e-07],[0.0346894,6.5937e-07,4.58963e-07,2.54834e-07],[0.0192412,-1.76954e-08,-1.23182e-08,-6.8406e-09],[0.00671995,-2.71231e-07,-1.88793e-07,-1.04825e-07]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.11
S298 (cal/mol*K) = -78.57
G298 (kcal/mol) = 1.30

! PDep reaction: PDepNetwork #14 ! Flux pairs: O2(2), S(252); C7H9(5), S(252); O2(2)+C7H9(5)(+M)=>S(252)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.014e+00 -1.958e-06 -1.363e-06 -7.569e-07 / CHEB/ 2.901e+00 1.627e-07 1.132e-07 6.288e-08 / CHEB/ 2.028e-01 1.200e-06 8.350e-07 4.636e-07 / CHEB/ 3.469e-02 6.594e-07 4.590e-07 2.548e-07 / CHEB/ 1.924e-02 -1.770e-08 -1.232e-08 -6.841e-09 / CHEB/ 6.720e-03 -2.712e-07 -1.888e-07 -1.048e-07 /

1113.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.2	+3.0	+4.0	+4.6
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+3.0	+4.0	+4.6

Chebyshev(coeffs=[[6.54783,-8.22037e-07,-5.72199e-07,-3.17717e-07],[3.84039,-3.2838e-07,-2.28576e-07,-1.26918e-07],[0.155292,4.47717e-07,3.11644e-07,1.73042e-07],[0.0207151,4.6229e-07,3.21787e-07,1.78674e-07],[0.0146142,1.44906e-07,1.00865e-07,5.60054e-08],[0.00508986,-9.82756e-08,-6.84068e-08,-3.7983e-08]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.86
S298 (cal/mol*K) = -78.23
G298 (kcal/mol) = 1.45

! PDep reaction: PDepNetwork #14 ! Flux pairs: O2(2), S(253); C7H9(5), S(253); O2(2)+C7H9(5)(+M)=>S(253)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.548e+00 -8.220e-07 -5.722e-07 -3.177e-07 / CHEB/ 3.840e+00 -3.284e-07 -2.286e-07 -1.269e-07 / CHEB/ 1.553e-01 4.477e-07 3.116e-07 1.730e-07 / CHEB/ 2.072e-02 4.623e-07 3.218e-07 1.787e-07 / CHEB/ 1.461e-02 1.449e-07 1.009e-07 5.601e-08 / CHEB/ 5.090e-03 -9.828e-08 -6.841e-08 -3.798e-08 /

1114.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	-1.0	-0.9	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-1.0	-1.0	-0.9	-0.7

Chebyshev(coeffs=[[4.87362,-9.79499e-05,-6.8049e-05,-3.76647e-05],[0.380194,3.5796e-05,2.50154e-05,1.398e-05],[-0.0702743,8.44912e-05,5.86659e-05,3.2441e-05],[0.063459,2.11791e-05,1.45487e-05,7.90169e-06],[0.0603994,-3.18667e-05,-2.22348e-05,-1.23943e-05],[0.0164219,-2.64955e-05,-1.83561e-05,-1.01132e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -40.93
S298 (cal/mol*K) = -89.19
G298 (kcal/mol) = -14.35

! PDep reaction: PDepNetwork #14 ! Flux pairs: O2(2), S(254); C7H9(5), S(254); O2(2)+C7H9(5)(+M)=>S(254)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.874e+00 -9.795e-05 -6.805e-05 -3.766e-05 / CHEB/ 3.802e-01 3.580e-05 2.502e-05 1.398e-05 / CHEB/ -7.027e-02 8.449e-05 5.867e-05 3.244e-05 / CHEB/ 6.346e-02 2.118e-05 1.455e-05 7.902e-06 / CHEB/ 6.040e-02 -3.187e-05 -2.223e-05 -1.239e-05 / CHEB/ 1.642e-02 -2.650e-05 -1.836e-05 -1.011e-05 /

1115.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.0	+0.7	+1.1	+1.3
log₁₀(k(10 bar)/[mole,m,s])	+0.0	+0.7	+1.1	+1.3

Chebyshev(coeffs=[[6.12824,-5.55445e-05,-3.86301e-05,-2.14195e-05],[1.00909,3.94744e-05,2.74905e-05,1.52765e-05],[0.0985519,3.22848e-05,2.24309e-05,1.24168e-05],[0.0578038,-3.70102e-06,-2.60944e-06,-1.47926e-06],[0.0320248,-1.46452e-05,-1.01883e-05,-5.65172e-06],[0.00635115,-4.93785e-06,-3.41493e-06,-1.87589e-06]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -41.75
S298 (cal/mol*K) = -89.07
G298 (kcal/mol) = -15.21

! PDep reaction: PDepNetwork #14 ! Flux pairs: O2(2), S(255); C7H9(5), S(255); O2(2)+C7H9(5)(+M)=>S(255)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.128e+00 -5.554e-05 -3.863e-05 -2.142e-05 / CHEB/ 1.009e+00 3.947e-05 2.749e-05 1.528e-05 / CHEB/ 9.855e-02 3.228e-05 2.243e-05 1.242e-05 / CHEB/ 5.780e-02 -3.701e-06 -2.609e-06 -1.479e-06 / CHEB/ 3.202e-02 -1.465e-05 -1.019e-05 -5.652e-06 / CHEB/ 6.351e-03 -4.938e-06 -3.415e-06 -1.876e-06 /

1116.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.4	-5.8	-2.8	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-14.4	-5.8	-2.8	-1.2

Chebyshev(coeffs=[[-7.47788,-1.49053e-07,-1.03752e-07,-5.7609e-08],[11.9549,-1.93946e-07,-1.35001e-07,-7.49602e-08],[0.245908,-3.65011e-08,-2.54075e-08,-1.41077e-08],[0.0469266,5.81167e-08,4.04536e-08,2.24622e-08],[0.0231515,6.42837e-08,4.47463e-08,2.48457e-08],[0.0080606,2.47585e-08,1.72338e-08,9.56918e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.98
S298 (cal/mol*K) = -45.58
G298 (kcal/mol) = 3.60

! PDep reaction: PDepNetwork #14 ! Flux pairs: O2(2), S(256); C7H9(5), S(256); O2(2)+C7H9(5)(+M)=>S(256)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.478e+00 -1.491e-07 -1.038e-07 -5.761e-08 / CHEB/ 1.195e+01 -1.939e-07 -1.350e-07 -7.496e-08 / CHEB/ 2.459e-01 -3.650e-08 -2.541e-08 -1.411e-08 / CHEB/ 4.693e-02 5.812e-08 4.045e-08 2.246e-08 / CHEB/ 2.315e-02 6.428e-08 4.475e-08 2.485e-08 / CHEB/ 8.061e-03 2.476e-08 1.723e-08 9.569e-09 /

1117.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-1.6	+0.1	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-5.9	-1.6	+0.1	+1.0

Chebyshev(coeffs=[[0.726516,-3.98917e-07,-2.77676e-07,-1.54182e-07],[5.90763,-3.01549e-07,-2.09901e-07,-1.16549e-07],[0.287082,1.26095e-07,8.77717e-08,4.87358e-08],[0.059793,2.40623e-07,1.67492e-07,9.30009e-08],[0.0275436,1.3121e-07,9.13321e-08,5.07127e-08],[0.00964242,-1.07678e-08,-7.49515e-09,-4.16172e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.53
S298 (cal/mol*K) = -48.73
G298 (kcal/mol) = 1.99

! PDep reaction: PDepNetwork #14 ! Flux pairs: O2(2), S(257); C7H9(5), S(257); O2(2)+C7H9(5)(+M)=>S(257)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.265e-01 -3.989e-07 -2.777e-07 -1.542e-07 / CHEB/ 5.908e+00 -3.015e-07 -2.099e-07 -1.165e-07 / CHEB/ 2.871e-01 1.261e-07 8.777e-08 4.874e-08 / CHEB/ 5.979e-02 2.406e-07 1.675e-07 9.300e-08 / CHEB/ 2.754e-02 1.312e-07 9.133e-08 5.071e-08 / CHEB/ 9.642e-03 -1.077e-08 -7.495e-09 -4.162e-09 /

1118.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-2.1	-0.3	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-2.1	-0.3	+0.6

Chebyshev(coeffs=[[-0.0700797,-3.50866e-07,-2.44229e-07,-1.3561e-07],[6.34492,-3.01235e-07,-2.09682e-07,-1.16427e-07],[0.245385,8.84633e-08,6.15771e-08,3.41911e-08],[0.0472384,2.14681e-07,1.49434e-07,8.29744e-08],[0.0233955,1.29581e-07,9.01982e-08,5.00832e-08],[0.00818331,2.38769e-11,1.66291e-11,9.2389e-12]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.61
S298 (cal/mol*K) = 7.55
G298 (kcal/mol) = -5.86

! PDep reaction: PDepNetwork #14 ! Flux pairs: C7H9(5), C7H8(58); O2(2), HO2(43); O2(2)+C7H9(5)(+M)=>C7H8(58)+HO2(43)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.008e-02 -3.509e-07 -2.442e-07 -1.356e-07 / CHEB/ 6.345e+00 -3.012e-07 -2.097e-07 -1.164e-07 / CHEB/ 2.454e-01 8.846e-08 6.158e-08 3.419e-08 / CHEB/ 4.724e-02 2.147e-07 1.494e-07 8.297e-08 / CHEB/ 2.340e-02 1.296e-07 9.020e-08 5.008e-08 / CHEB/ 8.183e-03 2.388e-11 1.663e-11 9.239e-12 /

1119.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.2	-4.6	-1.8	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-4.6	-1.8	-0.4

Chebyshev(coeffs=[[-5.28918,-1.70834e-07,-1.18913e-07,-6.60274e-08],[10.5485,-2.10068e-07,-1.46223e-07,-8.11914e-08],[0.291685,-2.50316e-08,-1.74239e-08,-9.67474e-09],[0.0608673,7.70545e-08,5.36357e-08,2.97816e-08],[0.027907,7.45103e-08,5.18647e-08,2.87983e-08],[0.00977239,2.36106e-08,1.64347e-08,9.12549e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.83
S298 (cal/mol*K) = 5.84
G298 (kcal/mol) = 25.09

! PDep reaction: PDepNetwork #14 ! Flux pairs: C7H9(5), C7H8(206); O2(2), HO2(43); O2(2)+C7H9(5)(+M)=>C7H8(206)+HO2(43)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.289e+00 -1.708e-07 -1.189e-07 -6.603e-08 / CHEB/ 1.055e+01 -2.101e-07 -1.462e-07 -8.119e-08 / CHEB/ 2.917e-01 -2.503e-08 -1.742e-08 -9.675e-09 / CHEB/ 6.087e-02 7.705e-08 5.364e-08 2.978e-08 / CHEB/ 2.791e-02 7.451e-08 5.186e-08 2.880e-08 / CHEB/ 9.772e-03 2.361e-08 1.643e-08 9.125e-09 /

1120.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-2.7	-1.1	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-7.0	-2.7	-1.1	-0.2

Chebyshev(coeffs=[[-0.465297,-3.91289e-07,-2.72367e-07,-1.51233e-07],[5.98227,-3.23593e-07,-2.25245e-07,-1.25069e-07],[0.202402,1.15362e-07,8.03005e-08,4.45874e-08],[0.0345841,2.46728e-07,1.71741e-07,9.53604e-08],[0.0192059,1.41442e-07,9.8454e-08,5.46672e-08],[0.00670745,-6.22635e-09,-4.33399e-09,-2.40647e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.54
S298 (cal/mol*K) = -32.45
G298 (kcal/mol) = 15.21

! PDep reaction: PDepNetwork #14 ! Flux pairs: O2(2), S(258); C7H9(5), S(258); O2(2)+C7H9(5)(+M)=>S(258)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.653e-01 -3.913e-07 -2.724e-07 -1.512e-07 / CHEB/ 5.982e+00 -3.236e-07 -2.252e-07 -1.251e-07 / CHEB/ 2.024e-01 1.154e-07 8.030e-08 4.459e-08 / CHEB/ 3.458e-02 2.467e-07 1.717e-07 9.536e-08 / CHEB/ 1.921e-02 1.414e-07 9.845e-08 5.467e-08 / CHEB/ 6.707e-03 -6.226e-09 -4.334e-09 -2.406e-09 /

1121.

→

PDepNetwork #14

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.8	-7.0	-2.9	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-18.8	-7.0	-2.9	-0.7

Chebyshev(coeffs=[[-11.5728,-1.0594e-07,-7.3742e-08,-4.09458e-08],[16.4747,-1.51135e-07,-1.05202e-07,-5.84139e-08],[0.298229,-4.8178e-08,-3.35355e-08,-1.86208e-08],[0.0631165,2.34859e-08,1.6348e-08,9.07734e-09],[0.0286003,3.96734e-08,2.76157e-08,1.53338e-08],[0.0099791,2.11644e-08,1.4732e-08,8.18006e-09]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.86
S298 (cal/mol*K) = -17.54
G298 (kcal/mol) = 53.09

! PDep reaction: PDepNetwork #14 ! Flux pairs: C7H9(5), C7H9O(259); O2(2), O(T)(260); O2(2)+C7H9(5)(+M)=>C7H9O(259)+O(T)(260)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.157e+01 -1.059e-07 -7.374e-08 -4.095e-08 / CHEB/ 1.647e+01 -1.511e-07 -1.052e-07 -5.841e-08 / CHEB/ 2.982e-01 -4.818e-08 -3.354e-08 -1.862e-08 / CHEB/ 6.312e-02 2.349e-08 1.635e-08 9.077e-09 / CHEB/ 2.860e-02 3.967e-08 2.762e-08 1.533e-08 / CHEB/ 9.979e-03 2.116e-08 1.473e-08 8.180e-09 /

1123.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	-0.1	+2.1	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-5.8	-0.1	+2.0	+3.2

Chebyshev(coeffs=[[0.934313,-0.118178,-0.0740055,-0.0338464],[7.8857,0.11831,0.071087,0.0296383],[0.278276,-0.018663,-0.00895984,-0.00152232],[0.0847469,0.00519636,0.00268137,0.000712814],[0.0295896,0.00835596,0.00538346,0.00259216],[0.00859913,0.000658129,0.000664388,0.000548305]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.22
S298 (cal/mol*K) = -29.99
G298 (kcal/mol) = -11.28

! PDep reaction: PDepNetwork #15 ! Flux pairs: O2(2), S(261); C7H11(22), S(261); O2(2)+C7H11(22)(+M)=>S(261)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.343e-01 -1.182e-01 -7.401e-02 -3.385e-02 / CHEB/ 7.886e+00 1.183e-01 7.109e-02 2.964e-02 / CHEB/ 2.783e-01 -1.866e-02 -8.960e-03 -1.522e-03 / CHEB/ 8.475e-02 5.196e-03 2.681e-03 7.128e-04 / CHEB/ 2.959e-02 8.356e-03 5.383e-03 2.592e-03 / CHEB/ 8.599e-03 6.581e-04 6.644e-04 5.483e-04 /

1124.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	+1.4	+3.0	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-2.5	+1.3	+3.0	+3.9

Chebyshev(coeffs=[[4.12691,-0.264221,-0.13777,-0.0413136],[5.26372,0.293852,0.139905,0.0295209],[0.356611,-0.0416341,-0.00813418,0.00945291],[0.10846,-0.00434895,-0.00421822,-0.00224772],[0.0419146,0.0122134,0.0062135,0.00151202],[0.0119741,0.00081734,0.00130619,0.00120238]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.56
S298 (cal/mol*K) = -23.58
G298 (kcal/mol) = -1.53

! PDep reaction: PDepNetwork #15 ! Flux pairs: O2(2), S(262); C7H11(22), S(262); O2(2)+C7H11(22)(+M)=>S(262)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.127e+00 -2.642e-01 -1.378e-01 -4.131e-02 / CHEB/ 5.264e+00 2.939e-01 1.399e-01 2.952e-02 / CHEB/ 3.566e-01 -4.163e-02 -8.134e-03 9.453e-03 / CHEB/ 1.085e-01 -4.349e-03 -4.218e-03 -2.248e-03 / CHEB/ 4.191e-02 1.221e-02 6.214e-03 1.512e-03 / CHEB/ 1.197e-02 8.173e-04 1.306e-03 1.202e-03 /

1125.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	+0.2	+2.6	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-6.2	+0.1	+2.6	+3.9

Chebyshev(coeffs=[[0.550304,-0.0914308,-0.0589075,-0.0284966],[8.88443,0.0883909,0.0551254,0.024937],[0.310899,-0.0151559,-0.00815992,-0.00243854],[0.0942841,0.00566297,0.00326619,0.00123037],[0.0320189,0.00729645,0.00481714,0.00243428],[0.0097489,0.000775846,0.00065557,0.000466268]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.46
S298 (cal/mol*K) = -26.56
G298 (kcal/mol) = 8.37

! PDep reaction: PDepNetwork #15 ! Flux pairs: O2(2), S(263); C7H11(22), S(263); O2(2)+C7H11(22)(+M)=>S(263)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.503e-01 -9.143e-02 -5.891e-02 -2.850e-02 / CHEB/ 8.884e+00 8.839e-02 5.513e-02 2.494e-02 / CHEB/ 3.109e-01 -1.516e-02 -8.160e-03 -2.439e-03 / CHEB/ 9.428e-02 5.663e-03 3.266e-03 1.230e-03 / CHEB/ 3.202e-02 7.296e-03 4.817e-03 2.434e-03 / CHEB/ 9.749e-03 7.758e-04 6.556e-04 4.663e-04 /

1126.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+3.1	+3.7	+4.2
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+3.0	+3.7	+4.2

Chebyshev(coeffs=[[8.10412,-0.711985,-0.169807,-0.00185424],[1.68344,0.790704,0.119608,-0.0341995],[0.203786,-0.0406106,0.0595365,0.025368],[0.0926682,-0.0561883,-0.0105781,0.0102566],[0.0587357,0.00915126,-0.00473799,-0.0018973],[0.0163821,0.00569371,0.00189021,-0.000593215]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.09
S298 (cal/mol*K) = -23.47
G298 (kcal/mol) = -3.10

! PDep reaction: PDepNetwork #15 ! Flux pairs: O2(2), S(264); C7H11(22), S(264); O2(2)+C7H11(22)(+M)=>S(264)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.104e+00 -7.120e-01 -1.698e-01 -1.854e-03 / CHEB/ 1.683e+00 7.907e-01 1.196e-01 -3.420e-02 / CHEB/ 2.038e-01 -4.061e-02 5.954e-02 2.537e-02 / CHEB/ 9.267e-02 -5.619e-02 -1.058e-02 1.026e-02 / CHEB/ 5.874e-02 9.151e-03 -4.738e-03 -1.897e-03 / CHEB/ 1.638e-02 5.694e-03 1.890e-03 -5.932e-04 /

1127.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+2.5	+3.9	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-0.7	+2.5	+3.8	+4.7

Chebyshev(coeffs=[[5.88144,-0.349795,-0.162117,-0.0357438],[4.29398,0.393942,0.160883,0.016775],[0.328582,-0.0505631,-0.000864762,0.0172327],[0.09903,-0.0116904,-0.00809181,-0.0019763],[0.0417316,0.0137153,0.00561156,0.000249541],[0.0117026,0.00141512,0.00188136,0.00135845]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.46
S298 (cal/mol*K) = -26.56
G298 (kcal/mol) = 8.37

! PDep reaction: PDepNetwork #15 ! Flux pairs: O2(2), S(265); C7H11(22), S(265); O2(2)+C7H11(22)(+M)=>S(265)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.881e+00 -3.498e-01 -1.621e-01 -3.574e-02 / CHEB/ 4.294e+00 3.939e-01 1.609e-01 1.677e-02 / CHEB/ 3.286e-01 -5.056e-02 -8.648e-04 1.723e-02 / CHEB/ 9.903e-02 -1.169e-02 -8.092e-03 -1.976e-03 / CHEB/ 4.173e-02 1.372e-02 5.612e-03 2.495e-04 / CHEB/ 1.170e-02 1.415e-03 1.881e-03 1.358e-03 /

1128.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.4	+3.9	+4.2	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+2.9	+3.8	+4.1	+4.4

Chebyshev(coeffs=[[9.18546,-0.764189,-0.171193,0.00122267],[1.08355,0.81581,0.107987,-0.0383839],[0.0115841,-0.00855786,0.0670524,0.0224742],[0.0321861,-0.0560971,-0.00447023,0.012471],[0.0428142,0.0040324,-0.00493473,-0.000482073],[0.0119481,0.00444234,0.000954104,-0.0005222]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.09
S298 (cal/mol*K) = -23.47
G298 (kcal/mol) = -3.10

! PDep reaction: PDepNetwork #15 ! Flux pairs: O2(2), S(266); C7H11(22), S(266); O2(2)+C7H11(22)(+M)=>S(266)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.185e+00 -7.642e-01 -1.712e-01 1.223e-03 / CHEB/ 1.084e+00 8.158e-01 1.080e-01 -3.838e-02 / CHEB/ 1.158e-02 -8.558e-03 6.705e-02 2.247e-02 / CHEB/ 3.219e-02 -5.610e-02 -4.470e-03 1.247e-02 / CHEB/ 4.281e-02 4.032e-03 -4.935e-03 -4.821e-04 / CHEB/ 1.195e-02 4.442e-03 9.541e-04 -5.222e-04 /

1129.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+2.7	+2.9	+3.1
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+2.6	+2.9	+3.1

Chebyshev(coeffs=[[7.88595,-0.744992,-0.174374,-0.00043769],[1.15007,0.795984,0.112341,-0.0374111],[-0.0162034,-0.0160249,0.0648596,0.0235166],[0.00113596,-0.0504099,-0.00514077,0.0117501],[0.0290088,0.00701314,-0.00387328,-0.000647057],[0.00780088,0.00413082,0.00143606,-0.000262612]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.21
S298 (cal/mol*K) = -34.08
G298 (kcal/mol) = -18.05

! PDep reaction: PDepNetwork #15 ! Flux pairs: O2(2), S(267); C7H11(22), S(267); O2(2)+C7H11(22)(+M)=>S(267)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.886e+00 -7.450e-01 -1.744e-01 -4.377e-04 / CHEB/ 1.150e+00 7.960e-01 1.123e-01 -3.741e-02 / CHEB/ -1.620e-02 -1.602e-02 6.486e-02 2.352e-02 / CHEB/ 1.136e-03 -5.041e-02 -5.141e-03 1.175e-02 / CHEB/ 2.901e-02 7.013e-03 -3.873e-03 -6.471e-04 / CHEB/ 7.801e-03 4.131e-03 1.436e-03 -2.626e-04 /

1130.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.8	-8.5	-2.7	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-25.8	-8.5	-2.7	+0.3

Chebyshev(coeffs=[[-18.3289,-0.00770283,-0.00534063,-0.00294613],[24.4916,0.000266076,0.000185874,0.000103812],[0.0709301,-0.00173354,-0.00119819,-0.000657546],[0.0218,0.00135336,0.000934498,0.000511995],[0.00322313,0.00185686,0.00128306,0.000703795],[-0.00100529,0.00114045,0.000786818,0.000430478]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.11
S298 (cal/mol*K) = 4.17
G298 (kcal/mol) = 76.87

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H11(22), S(268); O2(2), H(25); O2(2)+C7H11(22)(+M)=>H(25)+S(268)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.833e+01 -7.703e-03 -5.341e-03 -2.946e-03 / CHEB/ 2.449e+01 2.661e-04 1.859e-04 1.038e-04 / CHEB/ 7.093e-02 -1.734e-03 -1.198e-03 -6.575e-04 / CHEB/ 2.180e-02 1.353e-03 9.345e-04 5.120e-04 / CHEB/ 3.223e-03 1.857e-03 1.283e-03 7.038e-04 / CHEB/ -1.005e-03 1.140e-03 7.868e-04 4.305e-04 /

1131.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.5	-8.7	-2.7	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-26.5	-8.7	-2.7	+0.4

Chebyshev(coeffs=[[-18.8887,-0.00750154,-0.00520161,-0.00286993],[25.1104,0.000163864,0.000115186,6.49822e-05],[0.13415,-0.0017199,-0.00118903,-0.00065277],[0.0379914,0.00130952,0.000904414,0.000495685],[0.00856976,0.00181757,0.00125611,0.000689187],[0.000990199,0.00112714,0.000777758,0.000425631]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.64
S298 (cal/mol*K) = 4.06
G298 (kcal/mol) = 78.43

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H11(22), S(42); O2(2), H(25); O2(2)+C7H11(22)(+M)=>H(25)+S(42)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.889e+01 -7.502e-03 -5.202e-03 -2.870e-03 / CHEB/ 2.511e+01 1.639e-04 1.152e-04 6.498e-05 / CHEB/ 1.341e-01 -1.720e-03 -1.189e-03 -6.528e-04 / CHEB/ 3.799e-02 1.310e-03 9.044e-04 4.957e-04 / CHEB/ 8.570e-03 1.818e-03 1.256e-03 6.892e-04 / CHEB/ 9.902e-04 1.127e-03 7.778e-04 4.256e-04 /

1132.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.2	-7.0	-1.8	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-22.2	-7.0	-1.9	+0.8

Chebyshev(coeffs=[[-14.8653,-0.0101693,-0.00704131,-0.0038757],[21.476,0.00181026,0.00125071,0.000685903],[0.113499,-0.00199083,-0.00137162,-0.000748695],[0.0310588,0.00184042,0.00126755,0.000691467],[0.00783633,0.00228023,0.001573,0.000860437],[0.0017049,0.00126235,0.000869559,0.000474495]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.98
S298 (cal/mol*K) = -2.35
G298 (kcal/mol) = 68.68

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H11(22), S(269); O2(2), H(25); O2(2)+C7H11(22)(+M)=>H(25)+S(269)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.487e+01 -1.017e-02 -7.041e-03 -3.876e-03 / CHEB/ 2.148e+01 1.810e-03 1.251e-03 6.859e-04 / CHEB/ 1.135e-01 -1.991e-03 -1.372e-03 -7.487e-04 / CHEB/ 3.106e-02 1.840e-03 1.268e-03 6.915e-04 / CHEB/ 7.836e-03 2.280e-03 1.573e-03 8.604e-04 / CHEB/ 1.705e-03 1.262e-03 8.696e-04 4.745e-04 /

1133.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.8	-8.5	-2.7	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-25.8	-8.5	-2.7	+0.3

Chebyshev(coeffs=[[-18.3289,-0.00770283,-0.00534063,-0.00294613],[24.4916,0.000266076,0.000185874,0.000103812],[0.07093,-0.00173354,-0.00119819,-0.000657546],[0.0218001,0.00135336,0.000934498,0.000511995],[0.00322315,0.00185686,0.00128306,0.000703795],[-0.00100529,0.00114045,0.000786818,0.000430478]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.11
S298 (cal/mol*K) = 4.17
G298 (kcal/mol) = 76.87

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H11(22), S(270); O2(2), H(25); O2(2)+C7H11(22)(+M)=>H(25)+S(270)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.833e+01 -7.703e-03 -5.341e-03 -2.946e-03 / CHEB/ 2.449e+01 2.661e-04 1.859e-04 1.038e-04 / CHEB/ 7.093e-02 -1.734e-03 -1.198e-03 -6.575e-04 / CHEB/ 2.180e-02 1.353e-03 9.345e-04 5.120e-04 / CHEB/ 3.223e-03 1.857e-03 1.283e-03 7.038e-04 / CHEB/ -1.005e-03 1.140e-03 7.868e-04 4.305e-04 /

1134.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.4	-6.3	-1.4	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-20.4	-6.3	-1.4	+1.2

Chebyshev(coeffs=[[-12.9655,-0.0125139,-0.00865268,-0.00475159],[19.7563,0.00390403,0.00268768,0.00146514],[0.264897,-0.00230197,-0.00157972,-0.000856506],[0.0755387,0.00219286,0.00150638,0.000818168],[0.0228383,0.00253792,0.00174885,0.000954872],[0.00711117,0.00127302,0.000876365,0.000477713]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.99
S298 (cal/mol*K) = -6.44
G298 (kcal/mol) = 61.91

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H11(22), S(41); O2(2), H(25); O2(2)+C7H11(22)(+M)=>H(25)+S(41)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.297e+01 -1.251e-02 -8.653e-03 -4.752e-03 / CHEB/ 1.976e+01 3.904e-03 2.688e-03 1.465e-03 / CHEB/ 2.649e-01 -2.302e-03 -1.580e-03 -8.565e-04 / CHEB/ 7.554e-02 2.193e-03 1.506e-03 8.182e-04 / CHEB/ 2.284e-02 2.538e-03 1.749e-03 9.549e-04 / CHEB/ 7.111e-03 1.273e-03 8.764e-04 4.777e-04 /

1135.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.4	-11.6	-4.9	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-31.4	-11.6	-4.9	-1.5

Chebyshev(coeffs=[[-23.6132,-0.00616713,-0.00427919,-0.00236362],[27.902,-0.000515379,-0.000355149,-0.000193917],[0.129768,-0.00159543,-0.00110452,-0.000607792],[0.0332607,0.00101404,0.00070131,0.00038526],[0.00556616,0.00154873,0.00107138,0.000588814],[-0.000673969,0.00103206,0.000712899,0.000390827]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.66
S298 (cal/mol*K) = 1.08
G298 (kcal/mol) = 88.34

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H11(22), S(271); O2(2), H(25); O2(2)+C7H11(22)(+M)=>H(25)+S(271)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.361e+01 -6.167e-03 -4.279e-03 -2.364e-03 / CHEB/ 2.790e+01 -5.154e-04 -3.551e-04 -1.939e-04 / CHEB/ 1.298e-01 -1.595e-03 -1.105e-03 -6.078e-04 / CHEB/ 3.326e-02 1.014e-03 7.013e-04 3.853e-04 / CHEB/ 5.566e-03 1.549e-03 1.071e-03 5.888e-04 / CHEB/ -6.740e-04 1.032e-03 7.129e-04 3.908e-04 /

1136.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.4	-11.6	-4.9	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-31.4	-11.6	-4.9	-1.5

H298 (kcal/mol) = 88.66
S298 (cal/mol*K) = 1.08
G298 (kcal/mol) = 88.34

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H11(22), S(272); O2(2), H(25); O2(2)+C7H11(22)(+M)=>H(25)+S(272)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.361e+01 -6.167e-03 -4.279e-03 -2.364e-03 / CHEB/ 2.790e+01 -5.154e-04 -3.551e-04 -1.939e-04 / CHEB/ 1.298e-01 -1.595e-03 -1.105e-03 -6.078e-04 / CHEB/ 3.326e-02 1.014e-03 7.013e-04 3.853e-04 / CHEB/ 5.566e-03 1.549e-03 1.071e-03 5.888e-04 / CHEB/ -6.740e-04 1.032e-03 7.129e-04 3.908e-04 /

1137.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.3	-5.7	-2.0	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-5.7	-2.0	-0.1

Chebyshev(coeffs=[[-9.31103,-0.0238989,-0.0164032,-0.00889639],[14.9437,0.0129809,0.0088314,0.00471776],[0.165823,-0.00346361,-0.00232019,-0.00120581],[0.0483613,0.00382529,0.00259321,0.00137672],[0.0153518,0.00390424,0.00267207,0.00144214],[0.00503356,0.00146865,0.00100866,0.000547649]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.34
S298 (cal/mol*K) = -80.52
G298 (kcal/mol) = -7.34

! PDep reaction: PDepNetwork #15 ! Flux pairs: O2(2), S(273); C7H11(22), S(273); O2(2)+C7H11(22)(+M)=>S(273)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.311e+00 -2.390e-02 -1.640e-02 -8.896e-03 / CHEB/ 1.494e+01 1.298e-02 8.831e-03 4.718e-03 / CHEB/ 1.658e-01 -3.464e-03 -2.320e-03 -1.206e-03 / CHEB/ 4.836e-02 3.825e-03 2.593e-03 1.377e-03 / CHEB/ 1.535e-02 3.904e-03 2.672e-03 1.442e-03 / CHEB/ 5.034e-03 1.469e-03 1.009e-03 5.476e-04 /

1138.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.4	+6.2	+6.0	+5.9
log₁₀(k(10 bar)/[mole,m,s])	+5.8	+6.0	+5.9	+5.9

Chebyshev(coeffs=[[11.8932,-0.860547,-0.17042,0.00769701],[0.20836,0.852917,0.0875889,-0.0439855],[-0.250416,0.0609655,0.0763794,0.0153915],[-0.0244016,-0.0500617,0.00648603,0.0150139],[0.0401123,-0.00894968,-0.00423395,0.00232137],[0.0153253,-0.00131817,-0.00058667,-1.46229e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.34
S298 (cal/mol*K) = -79.15
G298 (kcal/mol) = -7.75

! PDep reaction: PDepNetwork #15 ! Flux pairs: O2(2), S(274); C7H11(22), S(274); O2(2)+C7H11(22)(+M)=>S(274)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.189e+01 -8.605e-01 -1.704e-01 7.697e-03 / CHEB/ 2.084e-01 8.529e-01 8.759e-02 -4.399e-02 / CHEB/ -2.504e-01 6.097e-02 7.638e-02 1.539e-02 / CHEB/ -2.440e-02 -5.006e-02 6.486e-03 1.501e-02 / CHEB/ 4.011e-02 -8.950e-03 -4.234e-03 2.321e-03 / CHEB/ 1.533e-02 -1.318e-03 -5.867e-04 -1.462e-05 /

1139.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.8	+3.5	+4.5	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+3.4	+4.5	+5.2

Chebyshev(coeffs=[[6.94723,-0.353771,-0.165967,-0.0373486],[3.95493,0.38555,0.159495,0.017114],[0.167747,-0.0389472,0.00262424,0.0170851],[0.0490383,-0.0108474,-0.00657135,-0.000994831],[0.0247834,0.0132479,0.00553246,0.000435589],[0.00591636,0.00141756,0.00182198,0.00133318]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.45
S298 (cal/mol*K) = -12.15
G298 (kcal/mol) = -4.83

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H11(22), C7H10(1); O2(2), HO2(43); O2(2)+C7H11(22)(+M)=>C7H10(1)+HO2(43)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.947e+00 -3.538e-01 -1.660e-01 -3.735e-02 / CHEB/ 3.955e+00 3.855e-01 1.595e-01 1.711e-02 / CHEB/ 1.677e-01 -3.895e-02 2.624e-03 1.709e-02 / CHEB/ 4.904e-02 -1.085e-02 -6.571e-03 -9.948e-04 / CHEB/ 2.478e-02 1.325e-02 5.532e-03 4.356e-04 / CHEB/ 5.916e-03 1.418e-03 1.822e-03 1.333e-03 /

1140.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	+1.0	+3.1	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-4.8	+0.9	+3.0	+4.2

Chebyshev(coeffs=[[1.89599,-0.112938,-0.0712254,-0.0330389],[7.96105,0.110884,0.0672267,0.0286009],[0.236487,-0.0168728,-0.0082349,-0.00154902],[0.0727736,0.00553065,0.0029845,0.000930594],[0.0255736,0.00826105,0.00534464,0.00259666],[0.00727535,0.000718484,0.000684829,0.000541429]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.39
S298 (cal/mol*K) = 8.49
G298 (kcal/mol) = 17.86

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H11(22), C7H10(218); O2(2), HO2(43); O2(2)+C7H11(22)(+M)=>C7H10(218)+HO2(43)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.896e+00 -1.129e-01 -7.123e-02 -3.304e-02 / CHEB/ 7.961e+00 1.109e-01 6.723e-02 2.860e-02 / CHEB/ 2.365e-01 -1.687e-02 -8.235e-03 -1.549e-03 / CHEB/ 7.277e-02 5.531e-03 2.985e-03 9.306e-04 / CHEB/ 2.557e-02 8.261e-03 5.345e-03 2.597e-03 / CHEB/ 7.275e-03 7.185e-04 6.848e-04 5.414e-04 /

1141.

→

PDepNetwork #15

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-1.5	+2.0	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-11.4	-1.5	+2.0	+3.8

Chebyshev(coeffs=[[-4.33732,-0.0295468,-0.0201886,-0.0108659],[13.8301,0.0193782,0.0130919,0.00690883],[0.250061,-0.00462166,-0.00305048,-0.00154276],[0.0736833,0.00421596,0.00283384,0.00148208],[0.0236087,0.00420907,0.00287582,0.00154758],[0.00766064,0.00135917,0.000936708,0.000511568]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.22
S298 (cal/mol*K) = 2.08
G298 (kcal/mol) = 39.60

! PDep reaction: PDepNetwork #15 ! Flux pairs: C7H11(22), S(275); O2(2), O(T)(260); O2(2)+C7H11(22)(+M)=>O(T)(260)+S(275)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.337e+00 -2.955e-02 -2.019e-02 -1.087e-02 / CHEB/ 1.383e+01 1.938e-02 1.309e-02 6.909e-03 / CHEB/ 2.501e-01 -4.622e-03 -3.050e-03 -1.543e-03 / CHEB/ 7.368e-02 4.216e-03 2.834e-03 1.482e-03 / CHEB/ 2.361e-02 4.209e-03 2.876e-03 1.548e-03 / CHEB/ 7.661e-03 1.359e-03 9.367e-04 5.116e-04 /

1167.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.2	-2.6	+0.8	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-2.7	+0.8	+2.5

Chebyshev(coeffs=[[-5.49435,-0.462865,-0.268034,-0.104773],[13.6662,0.304156,0.172099,0.0632499],[0.284678,0.0824835,0.0423048,0.0115192],[0.0662274,0.0181956,0.00905105,0.00234033],[-0.00161393,-0.015064,-0.00511448,0.00133547],[-0.00937421,-0.0106319,-0.00405684,0.00030079]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.09
S298 (cal/mol*K) = 31.61
G298 (kcal/mol) = 26.67

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(276); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(276)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.494e+00 -4.629e-01 -2.680e-01 -1.048e-01 / CHEB/ 1.367e+01 3.042e-01 1.721e-01 6.325e-02 / CHEB/ 2.847e-01 8.248e-02 4.230e-02 1.152e-02 / CHEB/ 6.623e-02 1.820e-02 9.051e-03 2.340e-03 / CHEB/ -1.614e-03 -1.506e-02 -5.114e-03 1.335e-03 / CHEB/ -9.374e-03 -1.063e-02 -4.057e-03 3.008e-04 /

1168.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+1.0	+2.4	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-5.1	+0.3	+2.2	+3.2

Chebyshev(coeffs=[[2.51499,-2.7197,-0.662655,-0.049902],[6.34477,2.41931,0.361164,-0.0470152],[0.206846,0.19936,0.157314,0.0223711],[0.00925521,-0.051054,0.0411634,0.0140069],[0.0472503,-0.0119802,0.00384983,0.0116694],[0.0244894,0.00610006,-0.00173292,0.00267381]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.19
S298 (cal/mol*K) = 8.59
G298 (kcal/mol) = -3.74

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(277); H(25), C7H11(277); C7H10(1)+H(25)(+M)=>C7H11(277)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.515e+00 -2.720e+00 -6.627e-01 -4.990e-02 / CHEB/ 6.345e+00 2.419e+00 3.612e-01 -4.702e-02 / CHEB/ 2.068e-01 1.994e-01 1.573e-01 2.237e-02 / CHEB/ 9.255e-03 -5.105e-02 4.116e-02 1.401e-02 / CHEB/ 4.725e-02 -1.198e-02 3.850e-03 1.167e-02 / CHEB/ 2.449e-02 6.100e-03 -1.733e-03 2.674e-03 /

1169.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+0.9	+2.4	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-5.5	+0.2	+2.2	+3.2

Chebyshev(coeffs=[[2.0187,-2.54948,-0.681627,-0.0627405],[6.85662,2.24062,0.374469,-0.0457375],[0.222301,0.157964,0.141626,0.0181367],[-7.16473e-05,-0.0566519,0.0318576,0.0151587],[0.0270044,-0.00607012,0.0018119,0.011683],[0.0109487,0.0111693,0.00161142,0.00312876]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.19
S298 (cal/mol*K) = 8.59
G298 (kcal/mol) = -3.74

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(278); H(25), C7H11(278); C7H10(1)+H(25)(+M)=>C7H11(278)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.019e+00 -2.549e+00 -6.816e-01 -6.274e-02 / CHEB/ 6.857e+00 2.241e+00 3.745e-01 -4.574e-02 / CHEB/ 2.223e-01 1.580e-01 1.416e-01 1.814e-02 / CHEB/ -7.165e-05 -5.665e-02 3.186e-02 1.516e-02 / CHEB/ 2.700e-02 -6.070e-03 1.812e-03 1.168e-02 / CHEB/ 1.095e-02 1.117e-02 1.611e-03 3.129e-03 /

1170.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+2.2	+3.2	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-2.3	+1.7	+3.0	+3.7

Chebyshev(coeffs=[[5.00783,-2.08451,-0.555416,-0.0221846],[4.40694,1.93644,0.330068,-0.0787716],[0.231376,0.101674,0.130777,0.0323441],[-0.000563404,-0.077446,0.00655307,0.01498],[0.00926503,-0.0345885,-0.00497183,0.00764296],[0.0176651,-0.00484339,-0.00327027,0.00292232]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.79
S298 (cal/mol*K) = 1.71
G298 (kcal/mol) = -27.29

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(279); H(25), C7H11(279); C7H10(1)+H(25)(+M)=>C7H11(279)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.008e+00 -2.085e+00 -5.554e-01 -2.218e-02 / CHEB/ 4.407e+00 1.936e+00 3.301e-01 -7.877e-02 / CHEB/ 2.314e-01 1.017e-01 1.308e-01 3.234e-02 / CHEB/ -5.634e-04 -7.745e-02 6.553e-03 1.498e-02 / CHEB/ 9.265e-03 -3.459e-02 -4.972e-03 7.643e-03 / CHEB/ 1.767e-02 -4.843e-03 -3.270e-03 2.922e-03 /

1171.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.3	+1.9	+3.0	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-2.7	+1.5	+2.9	+3.5

Chebyshev(coeffs=[[4.49659,-1.95713,-0.56898,-0.0288172],[4.78471,1.81439,0.363033,-0.0710511],[0.229324,0.0935264,0.117527,0.0350067],[-0.0120673,-0.0745806,0.00245983,0.0141176],[-0.00792152,-0.0341512,-0.00612981,0.00687426],[0.00131505,-0.00535653,-0.00350347,0.0023385]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.29
S298 (cal/mol*K) = 11.29
G298 (kcal/mol) = -16.65

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(280); H(25), C7H11(280); C7H10(1)+H(25)(+M)=>C7H11(280)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.497e+00 -1.957e+00 -5.690e-01 -2.882e-02 / CHEB/ 4.785e+00 1.814e+00 3.630e-01 -7.105e-02 / CHEB/ 2.293e-01 9.353e-02 1.175e-01 3.501e-02 / CHEB/ -1.207e-02 -7.458e-02 2.460e-03 1.412e-02 / CHEB/ -7.922e-03 -3.415e-02 -6.130e-03 6.874e-03 / CHEB/ 1.315e-03 -5.357e-03 -3.503e-03 2.338e-03 /

1172.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+3.1	+3.5	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-1.1	+3.0	+3.9	+4.1

Chebyshev(coeffs=[[5.8308,-1.59534,-0.633673,-0.0210584],[3.72039,2.78651,0.202045,-0.0886648],[-0.138938,0.431042,0.137905,0.00999826],[-0.184101,0.0126642,0.0437652,0.00324024],[-0.0871389,-0.013551,0.0221555,0.00643393],[-0.0438726,0.00214717,0.0102502,0.00544833]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.29
S298 (cal/mol*K) = 11.29
G298 (kcal/mol) = -16.65

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(281); H(25), C7H11(281); C7H10(1)+H(25)(+M)=>C7H11(281)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.831e+00 -1.595e+00 -6.337e-01 -2.106e-02 / CHEB/ 3.720e+00 2.787e+00 2.020e-01 -8.866e-02 / CHEB/ -1.389e-01 4.310e-01 1.379e-01 9.998e-03 / CHEB/ -1.841e-01 1.266e-02 4.377e-02 3.240e-03 / CHEB/ -8.714e-02 -1.355e-02 2.216e-02 6.434e-03 / CHEB/ -4.387e-02 2.147e-03 1.025e-02 5.448e-03 /

1173.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.1	-5.4	-0.2	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-21.2	-5.5	-0.3	+2.3

Chebyshev(coeffs=[[-13.8422,-0.19038,-0.119642,-0.0553268],[22.0853,0.073613,0.0456794,0.020577],[0.079512,0.0533216,0.0311282,0.0121548],[0.00857119,0.0228059,0.0132537,0.00514955],[-0.0189017,-0.00799469,-0.00396073,-0.000835327],[-0.0174392,-0.00868787,-0.00458637,-0.00132293]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.53
S298 (cal/mol*K) = 52.84
G298 (kcal/mol) = 53.78

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H7(282); H(25), C3H4(73); C7H10(1)+H(25)(+M)=>C3H4(73)+C4H7(282)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.384e+01 -1.904e-01 -1.196e-01 -5.533e-02 / CHEB/ 2.209e+01 7.361e-02 4.568e-02 2.058e-02 / CHEB/ 7.951e-02 5.332e-02 3.113e-02 1.215e-02 / CHEB/ 8.571e-03 2.281e-02 1.325e-02 5.150e-03 / CHEB/ -1.890e-02 -7.995e-03 -3.961e-03 -8.353e-04 / CHEB/ -1.744e-02 -8.688e-03 -4.586e-03 -1.323e-03 /

1174.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.8	-7.7	-2.9	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-21.9	-7.8	-3.0	-0.6

Chebyshev(coeffs=[[-14.6466,-0.230948,-0.142829,-0.0640954],[19.8887,0.100168,0.0611222,0.026692],[0.122386,0.0611194,0.0346363,0.0125474],[0.0231993,0.0241406,0.0136264,0.00492927],[-0.0140432,-0.00940974,-0.00434162,-0.000559858],[-0.0153287,-0.0095424,-0.00476528,-0.00109992]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.41
S298 (cal/mol*K) = 28.75
G298 (kcal/mol) = 52.85

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(283); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(283)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.465e+01 -2.309e-01 -1.428e-01 -6.410e-02 / CHEB/ 1.989e+01 1.002e-01 6.112e-02 2.669e-02 / CHEB/ 1.224e-01 6.112e-02 3.464e-02 1.255e-02 / CHEB/ 2.320e-02 2.414e-02 1.363e-02 4.929e-03 / CHEB/ -1.404e-02 -9.410e-03 -4.342e-03 -5.599e-04 / CHEB/ -1.533e-02 -9.542e-03 -4.765e-03 -1.100e-03 /

1175.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.1	-9.2	-3.6	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-26.2	-9.3	-3.6	-0.9

Chebyshev(coeffs=[[-18.753,-0.165553,-0.105222,-0.0496939],[23.8798,0.0589743,0.0370507,0.0170758],[0.0543758,0.0478746,0.0285248,0.0116887],[-0.000984941,0.0215378,0.012758,0.00518053],[-0.0222281,-0.00701606,-0.00363802,-0.000949447],[-0.0188536,-0.00801399,-0.004379,-0.00141523]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.91
S298 (cal/mol*K) = 38.33
G298 (kcal/mol) = 63.49

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(76); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(76)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.875e+01 -1.656e-01 -1.052e-01 -4.969e-02 / CHEB/ 2.388e+01 5.897e-02 3.705e-02 1.708e-02 / CHEB/ 5.438e-02 4.787e-02 2.852e-02 1.169e-02 / CHEB/ -9.849e-04 2.154e-02 1.276e-02 5.181e-03 / CHEB/ -2.223e-02 -7.016e-03 -3.638e-03 -9.494e-04 / CHEB/ -1.885e-02 -8.014e-03 -4.379e-03 -1.415e-03 /

1176.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.5	-8.4	-2.7	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-25.7	-8.5	-2.8	+0.0

Chebyshev(coeffs=[[-18.1644,-0.287977,-0.173686,-0.0735818],[24.1163,0.118375,0.0637319,0.0196205],[0.0965286,0.0601174,0.038864,0.0188355],[0.00507288,0.0366554,0.02011,0.00683179],[-0.0212959,0.00649232,0.00398468,0.00169388],[-0.0204402,-0.00390114,-0.00100042,0.000787785]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.91
S298 (cal/mol*K) = 38.33
G298 (kcal/mol) = 63.49

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(167); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(167)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.816e+01 -2.880e-01 -1.737e-01 -7.358e-02 / CHEB/ 2.412e+01 1.184e-01 6.373e-02 1.962e-02 / CHEB/ 9.653e-02 6.012e-02 3.886e-02 1.884e-02 / CHEB/ 5.073e-03 3.666e-02 2.011e-02 6.832e-03 / CHEB/ -2.130e-02 6.492e-03 3.985e-03 1.694e-03 / CHEB/ -2.044e-02 -3.901e-03 -1.000e-03 7.878e-04 /

1177.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.4	-11.7	-5.2	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-31.5	-11.8	-5.2	-2.0

Chebyshev(coeffs=[[-23.7601,-0.12871,-0.0833629,-0.040774],[27.7283,0.0398283,0.0255695,0.0122748],[0.0660484,0.0389112,0.0239595,0.0105608],[-0.00242603,0.0189168,0.0115587,0.00502191],[-0.0232277,-0.00545523,-0.00303021,-0.00101152],[-0.0194832,-0.00681295,-0.00391957,-0.00146563]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.01
S298 (cal/mol*K) = 35.63
G298 (kcal/mol) = 76.40

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(284); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(284)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.376e+01 -1.287e-01 -8.336e-02 -4.077e-02 / CHEB/ 2.773e+01 3.983e-02 2.557e-02 1.227e-02 / CHEB/ 6.605e-02 3.891e-02 2.396e-02 1.056e-02 / CHEB/ -2.426e-03 1.892e-02 1.156e-02 5.022e-03 / CHEB/ -2.323e-02 -5.455e-03 -3.030e-03 -1.012e-03 / CHEB/ -1.948e-02 -6.813e-03 -3.920e-03 -1.466e-03 /

1178.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.8	-12.1	-5.6	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-31.9	-12.2	-5.6	-2.3

Chebyshev(coeffs=[[-24.182,-0.128992,-0.0835329,-0.0408456],[27.7848,0.0399648,0.0256524,0.0123103],[0.0862562,0.0389816,0.0239966,0.0105714],[0.00352606,0.0189407,0.0115703,0.00502432],[-0.0212438,-0.00546716,-0.00303525,-0.00101156],[-0.018782,-0.0068229,-0.00392376,-0.0014657]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.01
S298 (cal/mol*K) = 35.63
G298 (kcal/mol) = 76.40

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(285); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(285)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.418e+01 -1.290e-01 -8.353e-02 -4.085e-02 / CHEB/ 2.778e+01 3.996e-02 2.565e-02 1.231e-02 / CHEB/ 8.626e-02 3.898e-02 2.400e-02 1.057e-02 / CHEB/ 3.526e-03 1.894e-02 1.157e-02 5.024e-03 / CHEB/ -2.124e-02 -5.467e-03 -3.035e-03 -1.012e-03 / CHEB/ -1.878e-02 -6.823e-03 -3.924e-03 -1.466e-03 /

1179.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-4.0	-1.1	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-4.2	-1.2	+0.3

Chebyshev(coeffs=[[-5.60752,-0.620366,-0.343277,-0.120174],[11.5945,0.452537,0.240871,0.0745803],[0.2719,0.0901846,0.0455246,0.0122108],[0.0565158,0.00998457,0.0049029,0.00146705],[-0.00497577,-0.0176432,-0.00520488,0.00228389],[-0.00916833,-0.00996736,-0.00321323,0.000934098]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.18
S298 (cal/mol*K) = 5.52
G298 (kcal/mol) = 2.54

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(286); H(25), C7H11(286); C7H10(1)+H(25)(+M)=>C7H11(286)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.608e+00 -6.204e-01 -3.433e-01 -1.202e-01 / CHEB/ 1.159e+01 4.525e-01 2.409e-01 7.458e-02 / CHEB/ 2.719e-01 9.018e-02 4.552e-02 1.221e-02 / CHEB/ 5.652e-02 9.985e-03 4.903e-03 1.467e-03 / CHEB/ -4.976e-03 -1.764e-02 -5.205e-03 2.284e-03 / CHEB/ -9.168e-03 -9.967e-03 -3.213e-03 9.341e-04 /

1180.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.8	-15.1	-7.0	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-39.8	-15.1	-7.0	-3.1

Chebyshev(coeffs=[[-31.7983,-0.0799124,-0.053217,-0.027383],[34.9016,0.0190095,0.0126399,0.00648087],[-0.065436,0.0259198,0.0166981,0.00806967],[-0.0508937,0.013759,0.00881309,0.00421322],[-0.0399305,-0.00343091,-0.00208025,-0.000880291],[-0.0250953,-0.00489025,-0.00301462,-0.00132859]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 102.44
S298 (cal/mol*K) = 46.21
G298 (kcal/mol) = 88.67

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(287); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>C6H9(287)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.180e+01 -7.991e-02 -5.322e-02 -2.738e-02 / CHEB/ 3.490e+01 1.901e-02 1.264e-02 6.481e-03 / CHEB/ -6.544e-02 2.592e-02 1.670e-02 8.070e-03 / CHEB/ -5.089e-02 1.376e-02 8.813e-03 4.213e-03 / CHEB/ -3.993e-02 -3.431e-03 -2.080e-03 -8.803e-04 / CHEB/ -2.510e-02 -4.890e-03 -3.015e-03 -1.329e-03 /

1181.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.1	-11.2	-4.7	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-30.2	-11.2	-4.7	-1.4

Chebyshev(coeffs=[[-22.3996,-0.139026,-0.0895036,-0.0432914],[26.6556,0.0499003,0.0317295,0.0149601],[0.268286,0.0415688,0.0254171,0.0110362],[0.0546575,0.0190846,0.0116175,0.0050103],[-0.00626574,-0.00628206,-0.00341408,-0.00106326],[-0.0143749,-0.00719882,-0.00409059,-0.00148053]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.61
S298 (cal/mol*K) = 36.38
G298 (kcal/mol) = 71.77

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(288); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(288)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.240e+01 -1.390e-01 -8.950e-02 -4.329e-02 / CHEB/ 2.666e+01 4.990e-02 3.173e-02 1.496e-02 / CHEB/ 2.683e-01 4.157e-02 2.542e-02 1.104e-02 / CHEB/ 5.466e-02 1.908e-02 1.162e-02 5.010e-03 / CHEB/ -6.266e-03 -6.282e-03 -3.414e-03 -1.063e-03 / CHEB/ -1.437e-02 -7.199e-03 -4.091e-03 -1.481e-03 /

1182.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	-0.4	+1.5	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-0.6	+1.4	+2.4

Chebyshev(coeffs=[[-0.0616165,-0.948429,-0.470246,-0.122937],[8.3658,0.763299,0.349174,0.0633809],[0.0912032,0.106103,0.0557413,0.0172827],[-0.0118429,-0.00947331,-0.001256,0.00298612],[-0.0269136,-0.022373,-0.00516258,0.00379617],[-0.0141466,-0.00805366,-0.00196719,0.00148797]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.72
S298 (cal/mol*K) = 27.86
G298 (kcal/mol) = 11.42

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(289); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(289)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.162e-02 -9.484e-01 -4.702e-01 -1.229e-01 / CHEB/ 8.366e+00 7.633e-01 3.492e-01 6.338e-02 / CHEB/ 9.120e-02 1.061e-01 5.574e-02 1.728e-02 / CHEB/ -1.184e-02 -9.473e-03 -1.256e-03 2.986e-03 / CHEB/ -2.691e-02 -2.237e-02 -5.163e-03 3.796e-03 / CHEB/ -1.415e-02 -8.054e-03 -1.967e-03 1.488e-03 /

1183.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	+0.3	+2.2	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+0.1	+2.1	+3.1

Chebyshev(coeffs=[[1.01033,-1.13779,-0.523401,-0.110982],[7.8781,0.947061,0.389996,0.0423585],[0.227361,0.10684,0.0604702,0.020896],[0.0207559,-0.0216152,-0.00378305,0.00442257],[-0.0144328,-0.0233481,-0.00487091,0.00414001],[-0.00840641,-0.00614731,-0.00130692,0.00152192]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.00
S298 (cal/mol*K) = 11.47
G298 (kcal/mol) = -14.41

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(290); H(25), C7H11(290); C7H10(1)+H(25)(+M)=>C7H11(290)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.010e+00 -1.138e+00 -5.234e-01 -1.110e-01 / CHEB/ 7.878e+00 9.471e-01 3.900e-01 4.236e-02 / CHEB/ 2.274e-01 1.068e-01 6.047e-02 2.090e-02 / CHEB/ 2.076e-02 -2.162e-02 -3.783e-03 4.423e-03 / CHEB/ -1.443e-02 -2.335e-02 -4.871e-03 4.140e-03 / CHEB/ -8.406e-03 -6.147e-03 -1.307e-03 1.522e-03 /

1184.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	-0.1	+1.5	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-6.4	-0.9	+1.2	+2.1

Chebyshev(coeffs=[[1.21529,-2.43488,-0.791725,-0.0487659],[6.47969,1.98811,0.492697,-0.0655154],[0.372943,0.252891,0.133493,0.0264357],[0.0279138,0.0353884,0.028054,0.00991865],[-0.0237217,-0.0198377,0.0121531,0.0122837],[-0.0206595,-0.0281337,0.00116781,0.00850532]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.50
S298 (cal/mol*K) = 9.42
G298 (kcal/mol) = -1.30

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(291); H(25), C7H11(291); C7H10(1)+H(25)(+M)=>C7H11(291)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.215e+00 -2.435e+00 -7.917e-01 -4.877e-02 / CHEB/ 6.480e+00 1.988e+00 4.927e-01 -6.552e-02 / CHEB/ 3.729e-01 2.529e-01 1.335e-01 2.644e-02 / CHEB/ 2.791e-02 3.539e-02 2.805e-02 9.919e-03 / CHEB/ -2.372e-02 -1.984e-02 1.215e-02 1.228e-02 / CHEB/ -2.066e-02 -2.813e-02 1.168e-03 8.505e-03 /

1185.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	+1.5	+3.6	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-5.7	+0.6	+3.0	+4.1

Chebyshev(coeffs=[[2.14067,-1.90254,-0.287855,0.00950111],[7.72508,0.959382,-0.027203,-0.0484834],[0.360822,0.33666,0.0201639,-0.0205213],[0.00209923,0.169463,0.0166338,-0.0199545],[-0.0682457,0.0694076,0.0306326,-0.0108579],[-0.0554927,0.0118084,0.0313151,0.00449945]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.60
S298 (cal/mol*K) = 12.12
G298 (kcal/mol) = -14.21

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(292); H(25), C7H11(292); C7H10(1)+H(25)(+M)=>C7H11(292)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.141e+00 -1.903e+00 -2.879e-01 9.501e-03 / CHEB/ 7.725e+00 9.594e-01 -2.720e-02 -4.848e-02 / CHEB/ 3.608e-01 3.367e-01 2.016e-02 -2.052e-02 / CHEB/ 2.099e-03 1.695e-01 1.663e-02 -1.995e-02 / CHEB/ -6.825e-02 6.941e-02 3.063e-02 -1.086e-02 / CHEB/ -5.549e-02 1.181e-02 3.132e-02 4.499e-03 /

1186.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-2.9	-0.6	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-3.5	-0.7	+0.8

Chebyshev(coeffs=[[-2.54519,-1.86958,-0.732842,-0.0933866],[8.51458,1.53173,0.539567,0.0239928],[0.565158,0.294967,0.131306,0.0265772],[0.180527,0.0515466,0.0285092,0.00773097],[0.0551379,-0.0374656,-0.00134431,0.0066812],[0.0180254,-0.049077,-0.0142747,0.00162996]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.70
S298 (cal/mol*K) = 9.00
G298 (kcal/mol) = 1.02

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(293); H(25), C7H11(293); C7H10(1)+H(25)(+M)=>C7H11(293)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.545e+00 -1.870e+00 -7.328e-01 -9.339e-02 / CHEB/ 8.515e+00 1.532e+00 5.396e-01 2.399e-02 / CHEB/ 5.652e-01 2.950e-01 1.313e-01 2.658e-02 / CHEB/ 1.805e-01 5.155e-02 2.851e-02 7.731e-03 / CHEB/ 5.514e-02 -3.747e-02 -1.344e-03 6.681e-03 / CHEB/ 1.803e-02 -4.908e-02 -1.427e-02 1.630e-03 /

1187.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.5	+3.2	+3.5	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-0.9	+3.1	+4.0	+4.2

Chebyshev(coeffs=[[5.86206,-1.39557,-0.74002,0.00674953],[3.72711,2.66381,0.294187,-0.12162],[-0.0958087,0.388706,0.179697,0.00467602],[-0.21738,0.0459092,0.0396668,0.00684212],[-0.0864272,-0.0179097,0.0195383,0.0104607],[-0.0151185,-0.0273559,0.00784399,0.00977185]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.60
S298 (cal/mol*K) = 12.12
G298 (kcal/mol) = -14.21

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(294); H(25), C7H11(294); C7H10(1)+H(25)(+M)=>C7H11(294)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.862e+00 -1.396e+00 -7.400e-01 6.750e-03 / CHEB/ 3.727e+00 2.664e+00 2.942e-01 -1.216e-01 / CHEB/ -9.581e-02 3.887e-01 1.797e-01 4.676e-03 / CHEB/ -2.174e-01 4.591e-02 3.967e-02 6.842e-03 / CHEB/ -8.643e-02 -1.791e-02 1.954e-02 1.046e-02 / CHEB/ -1.512e-02 -2.736e-02 7.844e-03 9.772e-03 /

1188.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.4	-14.6	-6.5	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-39.4	-14.6	-6.5	-2.6

Chebyshev(coeffs=[[-31.4232,-0.0793045,-0.0528308,-0.0272015],[35.0246,0.0187671,0.0124849,0.00640705],[-0.0647937,0.0257546,0.016601,0.00803144],[-0.050849,0.0136822,0.00876922,0.00419721],[-0.0399137,-0.00340606,-0.00206737,-0.000877018],[-0.0250784,-0.0048635,-0.00300072,-0.00132497]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 103.03
S298 (cal/mol*K) = 49.25
G298 (kcal/mol) = 88.35

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(295); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(295)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.142e+01 -7.930e-02 -5.283e-02 -2.720e-02 / CHEB/ 3.502e+01 1.877e-02 1.248e-02 6.407e-03 / CHEB/ -6.479e-02 2.575e-02 1.660e-02 8.031e-03 / CHEB/ -5.085e-02 1.368e-02 8.769e-03 4.197e-03 / CHEB/ -3.991e-02 -3.406e-03 -2.067e-03 -8.770e-04 / CHEB/ -2.508e-02 -4.864e-03 -3.001e-03 -1.325e-03 /

1190.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.5	+8.5	+9.1	+9.2
log₁₀(k(10 bar)/[mole,m,s])	+5.5	+8.6	+9.5	+9.8

Chebyshev(coeffs=[[5.478,0.402163,-0.1303,0.0166338],[3.90999,0.568443,-0.131364,-0.0175697],[-0.269367,0.341211,-0.0456242,-0.0274252],[-0.146832,0.157291,0.00549502,-0.0214628],[-0.0561461,0.0376595,0.0283261,-0.0125947],[-0.0143607,-0.00639529,0.023562,-0.00291915]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.51
S298 (cal/mol*K) = -9.04
G298 (kcal/mol) = -1.82

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(224); C7H11(46)(+M)=>C7H11(224)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.478e+00 4.022e-01 -1.303e-01 1.663e-02 / CHEB/ 3.910e+00 5.684e-01 -1.314e-01 -1.757e-02 / CHEB/ -2.694e-01 3.412e-01 -4.562e-02 -2.743e-02 / CHEB/ -1.468e-01 1.573e-01 5.495e-03 -2.146e-02 / CHEB/ -5.615e-02 3.766e-02 2.833e-02 -1.259e-02 / CHEB/ -1.436e-02 -6.395e-03 2.356e-02 -2.919e-03 /

1191.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+3.7	+6.2	+7.3
log₁₀(k(10 bar)/[mole,m,s])	-4.5	+4.1	+6.8	+8.1

Chebyshev(coeffs=[[-4.23042,0.838811,-0.27885,0.0281155],[11.5934,0.448514,0.00860186,-0.0596374],[-0.105987,0.266913,0.0243835,-0.0330286],[-0.100447,0.125466,0.0255739,-0.0121789],[-0.0265484,0.00797868,0.0271076,0.00322053],[-0.00120629,-0.0177825,0.0147284,0.00653295]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.65
S298 (cal/mol*K) = 1.71
G298 (kcal/mol) = -3.16

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(225); C7H11(46)(+M)=>C7H11(225)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.230e+00 8.388e-01 -2.789e-01 2.812e-02 / CHEB/ 1.159e+01 4.485e-01 8.602e-03 -5.964e-02 / CHEB/ -1.060e-01 2.669e-01 2.438e-02 -3.303e-02 / CHEB/ -1.004e-01 1.255e-01 2.557e-02 -1.218e-02 / CHEB/ -2.655e-02 7.979e-03 2.711e-02 3.221e-03 / CHEB/ -1.206e-03 -1.778e-02 1.473e-02 6.533e-03 /

1192.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+5.7	+7.5	+8.2
log₁₀(k(10 bar)/[mole,m,s])	-0.5	+6.0	+8.1	+9.0

Chebyshev(coeffs=[[-0.245207,0.656687,-0.226441,0.0359149],[8.53092,0.539807,-0.0509524,-0.0559675],[-0.106618,0.295968,0.00543448,-0.0365286],[-0.0993747,0.13178,0.0227122,-0.015351],[-0.0292931,0.0136214,0.031442,-0.0020275],[-0.00241466,-0.0156789,0.0188779,0.00421042]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.04
S298 (cal/mol*K) = -3.62
G298 (kcal/mol) = -22.96

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(226); C7H11(46)(+M)=>C7H11(226)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.452e-01 6.567e-01 -2.264e-01 3.591e-02 / CHEB/ 8.531e+00 5.398e-01 -5.095e-02 -5.597e-02 / CHEB/ -1.066e-01 2.960e-01 5.434e-03 -3.653e-02 / CHEB/ -9.937e-02 1.318e-01 2.271e-02 -1.535e-02 / CHEB/ -2.929e-02 1.362e-02 3.144e-02 -2.028e-03 / CHEB/ -2.415e-03 -1.568e-02 1.888e-02 4.210e-03 /

1193.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.6	+7.2	+8.4	+8.9
log₁₀(k(10 bar)/[mole,m,s])	+2.6	+7.4	+8.9	+9.6

Chebyshev(coeffs=[[2.80947,0.514739,-0.171007,0.0265441],[6.09934,0.592244,-0.103679,-0.0363925],[-0.109842,0.325909,-0.0171014,-0.0353495],[-0.0975721,0.140253,0.0193162,-0.0194538],[-0.0333061,0.0215104,0.0332564,-0.00732274],[-0.00493532,-0.0129796,0.0220107,0.00153114]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.90
S298 (cal/mol*K) = -1.61
G298 (kcal/mol) = 8.38

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(227); C7H11(46)(+M)=>C7H11(227)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.809e+00 5.147e-01 -1.710e-01 2.654e-02 / CHEB/ 6.099e+00 5.922e-01 -1.037e-01 -3.639e-02 / CHEB/ -1.098e-01 3.259e-01 -1.710e-02 -3.535e-02 / CHEB/ -9.757e-02 1.403e-01 1.932e-02 -1.945e-02 / CHEB/ -3.331e-02 2.151e-02 3.326e-02 -7.323e-03 / CHEB/ -4.935e-03 -1.298e-02 2.201e-02 1.531e-03 /

1194.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+6.7	+7.7	+8.0
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+6.9	+8.2	+8.7

Chebyshev(coeffs=[[2.92486,0.468177,-0.154232,0.022716],[5.21227,0.587539,-0.116844,-0.0287196],[-0.181321,0.333496,-0.0284485,-0.0328155],[-0.118167,0.146395,0.0146749,-0.0207048],[-0.0425611,0.0268857,0.0321354,-0.00963676],[-0.00882466,-0.0109382,0.022937,-0.00013371]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = -0.49

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(228); C7H11(46)(+M)=>C7H11(228)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.925e+00 4.682e-01 -1.542e-01 2.272e-02 / CHEB/ 5.212e+00 5.875e-01 -1.168e-01 -2.872e-02 / CHEB/ -1.813e-01 3.335e-01 -2.845e-02 -3.282e-02 / CHEB/ -1.182e-01 1.464e-01 1.467e-02 -2.070e-02 / CHEB/ -4.256e-02 2.689e-02 3.214e-02 -9.637e-03 / CHEB/ -8.825e-03 -1.094e-02 2.294e-02 -1.337e-04 /

1195.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.9	+5.5	+6.7	+7.2
log₁₀(k(10 bar)/[mole,m,s])	+0.8	+5.7	+7.2	+7.9

Chebyshev(coeffs=[[1.01426,0.521471,-0.17462,0.0276154],[6.23276,0.586882,-0.100577,-0.0377345],[-0.130777,0.32378,-0.0164014,-0.0353895],[-0.102197,0.139637,0.0191929,-0.0192753],[-0.0351229,0.0212614,0.0330043,-0.00713877],[-0.00600168,-0.012841,0.0217582,0.00160038]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = -0.49

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(229); C7H11(46)(+M)=>C7H11(229)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.014e+00 5.215e-01 -1.746e-01 2.762e-02 / CHEB/ 6.233e+00 5.869e-01 -1.006e-01 -3.773e-02 / CHEB/ -1.308e-01 3.238e-01 -1.640e-02 -3.539e-02 / CHEB/ -1.022e-01 1.396e-01 1.919e-02 -1.928e-02 / CHEB/ -3.512e-02 2.126e-02 3.300e-02 -7.139e-03 / CHEB/ -6.002e-03 -1.284e-02 2.176e-02 1.600e-03 /

1196.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.8	+1.1	+4.2	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-8.6	+1.5	+4.8	+6.5

Chebyshev(coeffs=[[-8.23423,0.952252,-0.296267,0.0150046],[13.7753,0.407748,0.0368307,-0.0537642],[0.00674257,0.25087,0.0367567,-0.0289875],[-0.070403,0.120266,0.0289463,-0.00966228],[-0.0147657,0.00433085,0.0242063,0.00614045],[0.00372438,-0.0195592,0.0117728,0.00783859]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.10
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = 10.70

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(230); C7H11(46)(+M)=>C7H11(230)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.234e+00 9.523e-01 -2.963e-01 1.500e-02 / CHEB/ 1.378e+01 4.077e-01 3.683e-02 -5.376e-02 / CHEB/ 6.743e-03 2.509e-01 3.676e-02 -2.899e-02 / CHEB/ -7.040e-02 1.203e-01 2.895e-02 -9.662e-03 / CHEB/ -1.477e-02 4.331e-03 2.421e-02 6.140e-03 / CHEB/ 3.724e-03 -1.956e-02 1.177e-02 7.839e-03 /

1197.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.8	-5.7	+0.7	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-26.2	-5.0	+1.5	+4.6

Chebyshev(coeffs=[[-25.7555,1.52392,-0.241178,-0.0638345],[30.0695,0.128759,0.0579301,0.00709688],[-0.484425,0.146042,0.0581211,0.0011713],[-0.22692,0.0832795,0.0347544,0.00256869],[-0.0541599,-0.00495371,0.00467912,0.00687],[-0.00471203,-0.0205349,-0.00304653,0.00515486]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 100.32
S298 (cal/mol*K) = 41.50
G298 (kcal/mol) = 87.96

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C3H6(231); C7H11(46), C4H5(99); C7H11(46)(+M)=>C3H6(231)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.576e+01 1.524e+00 -2.412e-01 -6.383e-02 / CHEB/ 3.007e+01 1.288e-01 5.793e-02 7.097e-03 / CHEB/ -4.844e-01 1.460e-01 5.812e-02 1.171e-03 / CHEB/ -2.269e-01 8.328e-02 3.475e-02 2.569e-03 / CHEB/ -5.416e-02 -4.954e-03 4.679e-03 6.870e-03 / CHEB/ -4.712e-03 -2.053e-02 -3.047e-03 5.155e-03 /

1198.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.0	-3.5	+1.5	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-19.6	-3.0	+2.3	+4.8

Chebyshev(coeffs=[[-19.1845,1.32569,-0.291302,-0.042692],[23.4204,0.206084,0.0683923,-0.0105168],[-0.282791,0.185966,0.0556708,-0.0117663],[-0.121043,0.100949,0.0338263,-0.00327015],[-0.0331009,-0.00128813,0.01098,0.00828442],[-0.0157313,-0.0205284,0.00198625,0.00746217]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.49
S298 (cal/mol*K) = 23.38
G298 (kcal/mol) = 69.52

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(89); C7H11(46)(+M)=>H(25)+C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.918e+01 1.326e+00 -2.913e-01 -4.269e-02 / CHEB/ 2.342e+01 2.061e-01 6.839e-02 -1.052e-02 / CHEB/ -2.828e-01 1.860e-01 5.567e-02 -1.177e-02 / CHEB/ -1.210e-01 1.009e-01 3.383e-02 -3.270e-03 / CHEB/ -3.310e-02 -1.288e-03 1.098e-02 8.284e-03 / CHEB/ -1.573e-02 -2.053e-02 1.986e-03 7.462e-03 /

1199.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.6	-10.1	-2.7	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-33.0	-9.3	-1.8	+1.8

Chebyshev(coeffs=[[-32.1481,1.57195,-0.224734,-0.0663165],[33.4125,0.111462,0.0533956,0.00986212],[-0.258934,0.135337,0.057259,0.00428767],[-0.162399,0.0780564,0.0342814,0.00403651],[-0.0313872,-0.00572739,0.00324607,0.00611666],[0.00383846,-0.0202459,-0.00411074,0.00427824]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 29.23
G298 (kcal/mol) = 100.29

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(95); C7H11(46)(+M)=>H(25)+C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.215e+01 1.572e+00 -2.247e-01 -6.632e-02 / CHEB/ 3.341e+01 1.115e-01 5.340e-02 9.862e-03 / CHEB/ -2.589e-01 1.353e-01 5.726e-02 4.288e-03 / CHEB/ -1.624e-01 7.806e-02 3.428e-02 4.037e-03 / CHEB/ -3.139e-02 -5.727e-03 3.246e-03 6.117e-03 / CHEB/ 3.838e-03 -2.025e-02 -4.111e-03 4.278e-03 /

1200.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.1	-8.0	-0.3	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-32.4	-7.3	+0.6	+4.3

Chebyshev(coeffs=[[-31.5572,1.62509,-0.204626,-0.0674052],[35.5489,0.0924773,0.0473428,0.0119091],[-0.421765,0.12281,0.0554632,0.00751079],[-0.211253,0.0717196,0.0333046,0.00558128],[-0.0466761,-0.00640079,0.0017336,0.00508388],[-0.00111997,-0.0196755,-0.00515574,0.00317501]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 117.15
S298 (cal/mol*K) = 45.24
G298 (kcal/mol) = 103.67

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C5H8(232); C7H11(46), C2H3(100); C7H11(46)(+M)=>C5H8(232)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.156e+01 1.625e+00 -2.046e-01 -6.741e-02 / CHEB/ 3.555e+01 9.248e-02 4.734e-02 1.191e-02 / CHEB/ -4.218e-01 1.228e-01 5.546e-02 7.511e-03 / CHEB/ -2.113e-01 7.172e-02 3.330e-02 5.581e-03 / CHEB/ -4.668e-02 -6.401e-03 1.734e-03 5.084e-03 / CHEB/ -1.120e-03 -1.968e-02 -5.156e-03 3.175e-03 /

1201.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.8	-7.1	-0.2	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-28.2	-6.4	+0.6	+4.0

Chebyshev(coeffs=[[-27.4762,1.51739,-0.243285,-0.0633996],[30.8625,0.131139,0.0584853,0.00666252],[-0.243417,0.147442,0.058183,0.000741089],[-0.155742,0.0839609,0.0347938,0.00236658],[-0.0307642,-0.00484216,0.00487616,0.0069585],[0.00341996,-0.0205618,-0.00289574,0.00526404]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.80
S298 (cal/mol*K) = 28.13
G298 (kcal/mol) = 91.42

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(96); C7H11(46)(+M)=>H(25)+C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.748e+01 1.517e+00 -2.433e-01 -6.340e-02 / CHEB/ 3.086e+01 1.311e-01 5.849e-02 6.663e-03 / CHEB/ -2.434e-01 1.474e-01 5.818e-02 7.411e-04 / CHEB/ -1.557e-01 8.396e-02 3.479e-02 2.367e-03 / CHEB/ -3.076e-02 -4.842e-03 4.876e-03 6.959e-03 / CHEB/ 3.420e-03 -2.056e-02 -2.896e-03 5.264e-03 /

1202.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.8	-7.1	-0.2	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-28.2	-6.4	+0.6	+4.0

H298 (kcal/mol) = 99.80
S298 (cal/mol*K) = 28.13
G298 (kcal/mol) = 91.42

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(97); C7H11(46)(+M)=>H(25)+C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.748e+01 1.517e+00 -2.433e-01 -6.340e-02 / CHEB/ 3.086e+01 1.311e-01 5.849e-02 6.663e-03 / CHEB/ -2.434e-01 1.474e-01 5.818e-02 7.411e-04 / CHEB/ -1.557e-01 8.396e-02 3.479e-02 2.367e-03 / CHEB/ -3.076e-02 -4.842e-03 4.876e-03 6.959e-03 / CHEB/ 3.420e-03 -2.056e-02 -2.896e-03 5.264e-03 /

1203.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.6	-9.6	-1.9	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-33.0	-8.8	-1.1	+2.7

Chebyshev(coeffs=[[-32.0687,1.58431,-0.220237,-0.0667357],[34.1428,0.106989,0.0520705,0.0104424],[-0.238835,0.132544,0.0569413,0.00505957],[-0.156216,0.0766151,0.0340906,0.00440601],[-0.0293354,-0.00589658,0.00288926,0.00589441],[0.00467755,-0.0201345,-0.00436551,0.00403346]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 111.20
S298 (cal/mol*K) = 28.81
G298 (kcal/mol) = 102.61

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(37); C7H11(46)(+M)=>H(25)+C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.207e+01 1.584e+00 -2.202e-01 -6.674e-02 / CHEB/ 3.414e+01 1.070e-01 5.207e-02 1.044e-02 / CHEB/ -2.388e-01 1.325e-01 5.694e-02 5.060e-03 / CHEB/ -1.562e-01 7.662e-02 3.409e-02 4.406e-03 / CHEB/ -2.934e-02 -5.897e-03 2.889e-03 5.894e-03 / CHEB/ 4.678e-03 -2.013e-02 -4.366e-03 4.033e-03 /

1204.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.2	+6.9	+7.8	+7.9
log₁₀(k(10 bar)/[mole,m,s])	+3.2	+7.1	+8.2	+8.7

Chebyshev(coeffs=[[3.20729,0.45113,-0.151331,0.0229483],[4.98016,0.569725,-0.118226,-0.0266365],[-0.270131,0.331676,-0.0343172,-0.0310254],[-0.144547,0.149178,0.0105611,-0.0208205],[-0.0522394,0.0302582,0.0303466,-0.0107389],[-0.0126061,-0.00900953,0.0228192,-0.00121988]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.22
S298 (cal/mol*K) = -5.89
G298 (kcal/mol) = -9.46

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(233); C7H11(46)(+M)=>C7H11(233)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.207e+00 4.511e-01 -1.513e-01 2.295e-02 / CHEB/ 4.980e+00 5.697e-01 -1.182e-01 -2.664e-02 / CHEB/ -2.701e-01 3.317e-01 -3.432e-02 -3.103e-02 / CHEB/ -1.445e-01 1.492e-01 1.056e-02 -2.082e-02 / CHEB/ -5.224e-02 3.026e-02 3.035e-02 -1.074e-02 / CHEB/ -1.261e-02 -9.010e-03 2.282e-02 -1.220e-03 /

1205.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	+2.4	+5.3	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-7.2	+2.8	+5.9	+7.4

Chebyshev(coeffs=[[-7.01804,0.955518,-0.300886,0.01395],[13.7646,0.377358,0.036365,-0.0507307],[-0.174284,0.248667,0.0327845,-0.029917],[-0.122768,0.121884,0.0267445,-0.0109551],[-0.0315879,0.00597715,0.0234142,0.00526999],[-0.00229606,-0.0183432,0.0119603,0.00728562]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.94
S298 (cal/mol*K) = -0.83
G298 (kcal/mol) = -2.69

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(234); C7H11(46)(+M)=>C7H11(234)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.018e+00 9.555e-01 -3.009e-01 1.395e-02 / CHEB/ 1.376e+01 3.774e-01 3.636e-02 -5.073e-02 / CHEB/ -1.743e-01 2.487e-01 3.278e-02 -2.992e-02 / CHEB/ -1.228e-01 1.219e-01 2.674e-02 -1.096e-02 / CHEB/ -3.159e-02 5.977e-03 2.341e-02 5.270e-03 / CHEB/ -2.296e-03 -1.834e-02 1.196e-02 7.286e-03 /

1206.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+5.2	+6.9	+7.5
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+5.5	+7.4	+8.3

Chebyshev(coeffs=[[-0.877273,0.665696,-0.235908,0.0379201],[8.64195,0.50263,-0.0433283,-0.0563054],[-0.271644,0.29078,0.00122567,-0.0358231],[-0.145281,0.133762,0.0190134,-0.0159102],[-0.0448388,0.0152172,0.029901,-0.00270494],[-0.00871234,-0.0145159,0.0187108,0.00349448]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.20
S298 (cal/mol*K) = -4.80
G298 (kcal/mol) = 13.63

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(235); C7H11(46)(+M)=>C7H11(235)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.773e-01 6.657e-01 -2.359e-01 3.792e-02 / CHEB/ 8.642e+00 5.026e-01 -4.333e-02 -5.631e-02 / CHEB/ -2.716e-01 2.908e-01 1.226e-03 -3.582e-02 / CHEB/ -1.453e-01 1.338e-01 1.901e-02 -1.591e-02 / CHEB/ -4.484e-02 1.522e-02 2.990e-02 -2.705e-03 / CHEB/ -8.712e-03 -1.452e-02 1.871e-02 3.494e-03 /

1207.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.5	-7.5	-0.3	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-29.8	-6.7	+0.6	+4.1

Chebyshev(coeffs=[[-29.0932,1.5631,-0.227887,-0.0659594],[32.6769,0.114602,0.0542839,0.00941397],[-0.323572,0.137393,0.0574827,0.00372058],[-0.180516,0.0790303,0.0343877,0.00377043],[-0.0378937,-0.00558715,0.00350953,0.00626883],[0.00140725,-0.0203058,-0.00391888,0.00444897]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.49
S298 (cal/mol*K) = 37.22
G298 (kcal/mol) = 87.40

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C6H9(236); C7H11(46), CH2(T)(82); C7H11(46)(+M)=>C6H9(236)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.909e+01 1.563e+00 -2.279e-01 -6.596e-02 / CHEB/ 3.268e+01 1.146e-01 5.428e-02 9.414e-03 / CHEB/ -3.236e-01 1.374e-01 5.748e-02 3.721e-03 / CHEB/ -1.805e-01 7.903e-02 3.439e-02 3.770e-03 / CHEB/ -3.789e-02 -5.587e-03 3.510e-03 6.269e-03 / CHEB/ 1.407e-03 -2.031e-02 -3.919e-03 4.449e-03 /

1208.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.1	-11.1	-3.5	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-34.5	-10.4	-2.6	+1.1

Chebyshev(coeffs=[[-33.4923,1.583,-0.220576,-0.0665277],[33.948,0.111221,0.0538398,0.0105368],[-0.149826,0.132656,0.0570973,0.00521315],[-0.173972,0.076604,0.0341685,0.0045136],[-0.0249492,-0.00623572,0.00283267,0.0059795],[0.0213033,-0.0204582,-0.00448918,0.00404035]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 110.20
S298 (cal/mol*K) = 26.19
G298 (kcal/mol) = 102.40

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(237); C7H11(46)(+M)=>H(25)+C7H10(237)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.349e+01 1.583e+00 -2.206e-01 -6.653e-02 / CHEB/ 3.395e+01 1.112e-01 5.384e-02 1.054e-02 / CHEB/ -1.498e-01 1.327e-01 5.710e-02 5.213e-03 / CHEB/ -1.740e-01 7.660e-02 3.417e-02 4.514e-03 / CHEB/ -2.495e-02 -6.236e-03 2.833e-03 5.980e-03 / CHEB/ 2.130e-02 -2.046e-02 -4.489e-03 4.040e-03 /

1209.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.7	-6.4	-0.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-28.7	-6.0	+0.7	+3.6

Chebyshev(coeffs=[[-27.6486,0.666473,-0.144445,0.0246339],[31.5773,0.813682,-0.0546955,-0.0313994],[-0.772772,0.311053,0.0556857,-0.0250652],[-0.307426,0.0421868,0.0536543,0.00102736],[-0.117033,-0.0229372,0.0169809,0.00991738],[-0.0535764,-0.00664029,-0.00358304,0.00445821]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 107.21
S298 (cal/mol*K) = 45.27
G298 (kcal/mol) = 93.72

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C4H5(99); C7H10(153), C3H5(129); C7H10(153)(+M)=>C4H5(99)+C3H5(129)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.765e+01 6.665e-01 -1.444e-01 2.463e-02 / CHEB/ 3.158e+01 8.137e-01 -5.470e-02 -3.140e-02 / CHEB/ -7.728e-01 3.111e-01 5.569e-02 -2.507e-02 / CHEB/ -3.074e-01 4.219e-02 5.365e-02 1.027e-03 / CHEB/ -1.170e-01 -2.294e-02 1.698e-02 9.917e-03 / CHEB/ -5.358e-02 -6.640e-03 -3.583e-03 4.458e-03 /

1210.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.2	-4.1	+1.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-22.2	-4.0	+1.7	+4.2

Chebyshev(coeffs=[[-20.9782,0.271445,-0.0544653,0.0080196],[25.2835,0.466844,-0.0785953,0.00565215],[-0.3711,0.312854,-0.0273024,-0.00689428],[-0.235354,0.162505,0.00924544,-0.0108517],[-0.133805,0.0644703,0.0187712,-0.00637056],[-0.0701267,0.0203183,0.011143,-3.85865e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.40
S298 (cal/mol*K) = 22.35
G298 (kcal/mol) = 76.74

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(130); C7H10(153)(+M)=>H(25)+C7H9(130)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.098e+01 2.714e-01 -5.447e-02 8.020e-03 / CHEB/ 2.528e+01 4.668e-01 -7.860e-02 5.652e-03 / CHEB/ -3.711e-01 3.129e-01 -2.730e-02 -6.894e-03 / CHEB/ -2.354e-01 1.625e-01 9.245e-03 -1.085e-02 / CHEB/ -1.338e-01 6.447e-02 1.877e-02 -6.371e-03 / CHEB/ -7.013e-02 2.032e-02 1.114e-02 -3.859e-05 /

1211.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.6	-8.1	-1.5	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-30.6	-7.8	-0.8	+2.3

Chebyshev(coeffs=[[-29.3339,0.61202,-0.130989,0.0222707],[31.6736,0.795397,-0.0689882,-0.0236588],[-0.593508,0.32977,0.0440038,-0.0256709],[-0.265297,0.0599794,0.0535367,-0.00310986],[-0.106786,-0.0164969,0.0209748,0.00825179],[-0.0499337,-0.00673923,-0.00170754,0.0051458]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 106.00
S298 (cal/mol*K) = 31.93
G298 (kcal/mol) = 96.49

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(131); C7H10(153)(+M)=>H(25)+C7H9(131)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.933e+01 6.120e-01 -1.310e-01 2.227e-02 / CHEB/ 3.167e+01 7.954e-01 -6.899e-02 -2.366e-02 / CHEB/ -5.935e-01 3.298e-01 4.400e-02 -2.567e-02 / CHEB/ -2.653e-01 5.998e-02 5.354e-02 -3.110e-03 / CHEB/ -1.068e-01 -1.650e-02 2.097e-02 8.252e-03 / CHEB/ -4.993e-02 -6.739e-03 -1.708e-03 5.146e-03 /

1212.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.8	-9.7	-2.8	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-32.8	-9.3	-2.1	+1.1

Chebyshev(coeffs=[[-31.4918,0.679873,-0.147702,0.0251286],[32.6397,0.817104,-0.0508539,-0.0332694],[-0.573168,0.306072,0.0583613,-0.0247173],[-0.24678,0.0380612,0.0534158,0.00205782],[-0.0960673,-0.0242442,0.0159446,0.0102319],[-0.0461921,-0.00652849,-0.00398507,0.00424892]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 29.23
G298 (kcal/mol) = 100.29

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(132); C7H10(153)(+M)=>H(25)+C7H9(132)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.149e+01 6.799e-01 -1.477e-01 2.513e-02 / CHEB/ 3.264e+01 8.171e-01 -5.085e-02 -3.327e-02 / CHEB/ -5.732e-01 3.061e-01 5.836e-02 -2.472e-02 / CHEB/ -2.468e-01 3.806e-02 5.342e-02 2.058e-03 / CHEB/ -9.607e-02 -2.424e-02 1.594e-02 1.023e-02 / CHEB/ -4.619e-02 -6.528e-03 -3.985e-03 4.249e-03 /

1213.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.2	-8.0	-0.8	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-32.1	-7.4	+0.1	+3.4

Chebyshev(coeffs=[[-31.0868,0.950226,-0.206773,0.0255795],[34.6065,0.798189,0.0448769,-0.0596634],[-0.730856,0.202972,0.0874567,-0.00541622],[-0.259635,-0.0188968,0.0341988,0.0170696],[-0.0882798,-0.0347042,-0.00273125,0.00935204],[-0.0445256,-0.00177142,-0.00700602,-0.000656512]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 117.15
S298 (cal/mol*K) = 45.24
G298 (kcal/mol) = 103.67

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C2H3(100); C7H10(153), C5H7(133); C7H10(153)(+M)=>C2H3(100)+C5H7(133)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.109e+01 9.502e-01 -2.068e-01 2.558e-02 / CHEB/ 3.461e+01 7.982e-01 4.488e-02 -5.966e-02 / CHEB/ -7.309e-01 2.030e-01 8.746e-02 -5.416e-03 / CHEB/ -2.596e-01 -1.890e-02 3.420e-02 1.707e-02 / CHEB/ -8.828e-02 -3.470e-02 -2.731e-03 9.352e-03 / CHEB/ -4.453e-02 -1.771e-03 -7.006e-03 -6.565e-04 /

1214.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.0	-6.4	-0.0	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-28.1	-6.2	+0.6	+3.5

Chebyshev(coeffs=[[-26.7134,0.50041,-0.10452,0.0172786],[30.2809,0.726851,-0.0876345,-0.00950416],[-0.518285,0.357041,0.0165634,-0.0226211],[-0.262629,0.101928,0.0464159,-0.010208],[-0.116547,0.00390908,0.0270362,0.00304135],[-0.0544373,-0.00421257,0.00332977,0.00534804]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.80
S298 (cal/mol*K) = 28.13
G298 (kcal/mol) = 91.42

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(134); C7H10(153)(+M)=>H(25)+C7H9(134)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.671e+01 5.004e-01 -1.045e-01 1.728e-02 / CHEB/ 3.028e+01 7.269e-01 -8.763e-02 -9.504e-03 / CHEB/ -5.183e-01 3.570e-01 1.656e-02 -2.262e-02 / CHEB/ -2.626e-01 1.019e-01 4.642e-02 -1.021e-02 / CHEB/ -1.165e-01 3.909e-03 2.704e-02 3.041e-03 / CHEB/ -5.444e-02 -4.213e-03 3.330e-03 5.348e-03 /

1215.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.0	-6.4	-0.0	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-28.1	-6.2	+0.6	+3.5

H298 (kcal/mol) = 99.80
S298 (cal/mol*K) = 28.13
G298 (kcal/mol) = 91.42

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(135); C7H10(153)(+M)=>H(25)+C7H9(135)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.671e+01 5.004e-01 -1.045e-01 1.728e-02 / CHEB/ 3.028e+01 7.269e-01 -8.763e-02 -9.504e-03 / CHEB/ -5.183e-01 3.570e-01 1.656e-02 -2.262e-02 / CHEB/ -2.626e-01 1.019e-01 4.642e-02 -1.021e-02 / CHEB/ -1.165e-01 3.909e-03 2.704e-02 3.041e-03 / CHEB/ -5.444e-02 -4.213e-03 3.330e-03 5.348e-03 /

1216.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.8	-9.2	-2.2	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-32.7	-8.7	-1.4	+1.9

Chebyshev(coeffs=[[-31.4464,0.733298,-0.160663,0.0268466],[33.3254,0.825572,-0.0340896,-0.0405684],[-0.554967,0.285699,0.0678245,-0.0225471],[-0.233539,0.0230661,0.0515047,0.00603633],[-0.0886189,-0.0284499,0.0118149,0.0110763],[-0.0436837,-0.00587515,-0.00530857,0.00331562]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 111.20
S298 (cal/mol*K) = 28.81
G298 (kcal/mol) = 102.61

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(136); C7H10(153)(+M)=>H(25)+C7H9(136)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.145e+01 7.333e-01 -1.607e-01 2.685e-02 / CHEB/ 3.333e+01 8.256e-01 -3.409e-02 -4.057e-02 / CHEB/ -5.550e-01 2.857e-01 6.782e-02 -2.255e-02 / CHEB/ -2.335e-01 2.307e-02 5.150e-02 6.036e-03 / CHEB/ -8.862e-02 -2.845e-02 1.181e-02 1.108e-02 / CHEB/ -4.368e-02 -5.875e-03 -5.309e-03 3.316e-03 /

1217.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.5	-5.4	+0.7	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-26.5	-5.1	+1.3	+4.1

Chebyshev(coeffs=[[-25.2799,0.492236,-0.102626,0.0169089],[29.5909,0.720299,-0.0884279,-0.00859693],[-0.637413,0.358108,0.0145331,-0.0222063],[-0.29941,0.105065,0.0455274,-0.0105887],[-0.129614,0.00578621,0.0272814,0.00260504],[-0.0591782,-0.00382022,0.0037288,0.0052827]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.58
S298 (cal/mol*K) = 37.06
G298 (kcal/mol) = 86.54

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), CH2(137); C7H10(153), C6H8(94); C7H10(153)(+M)=>CH2(137)+C6H8(94)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.528e+01 4.922e-01 -1.026e-01 1.691e-02 / CHEB/ 2.959e+01 7.203e-01 -8.843e-02 -8.597e-03 / CHEB/ -6.374e-01 3.581e-01 1.453e-02 -2.221e-02 / CHEB/ -2.994e-01 1.051e-01 4.553e-02 -1.059e-02 / CHEB/ -1.296e-01 5.786e-03 2.728e-02 2.605e-03 / CHEB/ -5.918e-02 -3.820e-03 3.729e-03 5.283e-03 /

1218.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-0.3	+3.7	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-13.5	-0.3	+3.8	+5.7

Chebyshev(coeffs=[[-12.5159,0.118414,-0.0242343,0.00315222],[18.361,0.220095,-0.0427524,0.00468788],[-0.232824,0.177955,-0.0284764,0.000953567],[-0.151762,0.125074,-0.0125496,-0.0023719],[-0.101104,0.076499,-0.000857561,-0.00366629],[-0.0626296,0.0407437,0.00452404,-0.0029989]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 53.88
S298 (cal/mol*K) = 8.73
G298 (kcal/mol) = 51.28

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(138); C7H10(153)(+M)=>C7H10(138)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.252e+01 1.184e-01 -2.423e-02 3.152e-03 / CHEB/ 1.836e+01 2.201e-01 -4.275e-02 4.688e-03 / CHEB/ -2.328e-01 1.780e-01 -2.848e-02 9.536e-04 / CHEB/ -1.518e-01 1.251e-01 -1.255e-02 -2.372e-03 / CHEB/ -1.011e-01 7.650e-02 -8.576e-04 -3.666e-03 / CHEB/ -6.263e-02 4.074e-02 4.524e-03 -2.999e-03 /

1219.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.0	-3.4	+2.2	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-22.0	-3.3	+2.5	+5.1

Chebyshev(coeffs=[[-20.725,0.297272,-0.0598704,0.00897664],[25.9287,0.503256,-0.0826099,0.00502978],[-0.416176,0.326532,-0.0243969,-0.0087143],[-0.250504,0.160628,0.013998,-0.0117851],[-0.136661,0.0582519,0.0212784,-0.00594455],[-0.0696522,0.0163652,0.0109516,0.000773171]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.70
S298 (cal/mol*K) = 10.85
G298 (kcal/mol) = 76.47

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(139); C7H10(153)(+M)=>C7H10(139)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.073e+01 2.973e-01 -5.987e-02 8.977e-03 / CHEB/ 2.593e+01 5.033e-01 -8.261e-02 5.030e-03 / CHEB/ -4.162e-01 3.265e-01 -2.440e-02 -8.714e-03 / CHEB/ -2.505e-01 1.606e-01 1.400e-02 -1.179e-02 / CHEB/ -1.367e-01 5.825e-02 2.128e-02 -5.945e-03 / CHEB/ -6.965e-02 1.637e-02 1.095e-02 7.732e-04 /

1220.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.6	-3.1	+2.4	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-21.6	-3.0	+2.8	+5.3

Chebyshev(coeffs=[[-20.3771,0.297504,-0.0599185,0.00898467],[25.8416,0.503582,-0.0826453,0.00502401],[-0.436631,0.326644,-0.0243671,-0.00873139],[-0.2567,0.160602,0.0140418,-0.0117928],[-0.138667,0.0581925,0.0212995,-0.00593954],[-0.0703372,0.0163302,0.0109485,0.000780639]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.57
S298 (cal/mol*K) = 12.33
G298 (kcal/mol) = 75.90

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(140); C7H10(153)(+M)=>C7H10(140)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.038e+01 2.975e-01 -5.992e-02 8.985e-03 / CHEB/ 2.584e+01 5.036e-01 -8.265e-02 5.024e-03 / CHEB/ -4.366e-01 3.266e-01 -2.437e-02 -8.731e-03 / CHEB/ -2.567e-01 1.606e-01 1.404e-02 -1.179e-02 / CHEB/ -1.387e-01 5.819e-02 2.130e-02 -5.940e-03 / CHEB/ -7.034e-02 1.633e-02 1.095e-02 7.806e-04 /

1221.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.4	-2.9	+2.3	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-20.4	-2.9	+2.6	+5.1

Chebyshev(coeffs=[[-19.0976,0.244765,-0.0479408,0.00671836],[24.1896,0.429258,-0.0728887,0.00588873],[-0.301432,0.299144,-0.029694,-0.00491832],[-0.217677,0.165313,0.00411137,-0.00949234],[-0.131048,0.0718127,0.0157654,-0.00653659],[-0.0711248,0.0249487,0.011241,-0.000914834]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 63.38
S298 (cal/mol*K) = 9.38
G298 (kcal/mol) = 60.59

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(141); C7H10(153)(+M)=>C7H10(141)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.910e+01 2.448e-01 -4.794e-02 6.718e-03 / CHEB/ 2.419e+01 4.293e-01 -7.289e-02 5.889e-03 / CHEB/ -3.014e-01 2.991e-01 -2.969e-02 -4.918e-03 / CHEB/ -2.177e-01 1.653e-01 4.111e-03 -9.492e-03 / CHEB/ -1.310e-01 7.181e-02 1.577e-02 -6.537e-03 / CHEB/ -7.112e-02 2.495e-02 1.124e-02 -9.148e-04 /

1222.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.2	-6.5	-0.3	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-27.2	-6.3	+0.2	+3.1

Chebyshev(coeffs=[[-25.8427,0.432224,-0.0875891,0.0138181],[28.9441,0.669134,-0.0912946,-0.00251177],[-0.468911,0.36473,-0.000135577,-0.018344],[-0.263207,0.129417,0.0376421,-0.012625],[-0.125541,0.0212346,0.0282478,-0.000684131],[-0.0591446,-0.00038864,0.00679208,0.00445625]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.70
S298 (cal/mol*K) = 10.85
G298 (kcal/mol) = 76.47

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(142); C7H10(153)(+M)=>C7H10(142)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.584e+01 4.322e-01 -8.759e-02 1.382e-02 / CHEB/ 2.894e+01 6.691e-01 -9.129e-02 -2.512e-03 / CHEB/ -4.689e-01 3.647e-01 -1.356e-04 -1.834e-02 / CHEB/ -2.632e-01 1.294e-01 3.764e-02 -1.262e-02 / CHEB/ -1.255e-01 2.123e-02 2.825e-02 -6.841e-04 / CHEB/ -5.914e-02 -3.886e-04 6.792e-03 4.456e-03 /

1223.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.1	-4.1	+1.3	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-22.2	-4.0	+1.6	+4.1

Chebyshev(coeffs=[[-21.0891,0.0893832,-0.171691,-0.0408456],[25.3507,0.631792,0.00405486,0.0335198],[-0.477153,0.298436,-0.0352338,-0.00692766],[-0.251982,0.151542,0.00241799,-0.0146028],[-0.126533,0.074634,0.0250549,-0.0045616],[-0.0628783,0.0309278,0.0180425,0.00330469]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.77
S298 (cal/mol*K) = 11.91
G298 (kcal/mol) = 78.22

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(143); C7H10(153)(+M)=>C7H10(143)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.109e+01 8.938e-02 -1.717e-01 -4.085e-02 / CHEB/ 2.535e+01 6.318e-01 4.055e-03 3.352e-02 / CHEB/ -4.772e-01 2.984e-01 -3.523e-02 -6.928e-03 / CHEB/ -2.520e-01 1.515e-01 2.418e-03 -1.460e-02 / CHEB/ -1.265e-01 7.463e-02 2.505e-02 -4.562e-03 / CHEB/ -6.288e-02 3.093e-02 1.804e-02 3.305e-03 /

1224.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.1	-4.0	+1.0	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-21.1	-4.0	+1.3	+3.6

Chebyshev(coeffs=[[-19.9625,0.236954,-0.0473563,0.0067832],[23.7809,0.415739,-0.0722097,0.00607401],[-0.418303,0.290729,-0.0300955,-0.00462104],[-0.246721,0.161959,0.00309199,-0.00927886],[-0.139261,0.0715717,0.0149053,-0.00653988],[-0.0738356,0.0257507,0.0109337,-0.00107609]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.57
S298 (cal/mol*K) = 15.03
G298 (kcal/mol) = 72.10

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(144); C7H10(153)(+M)=>C7H10(144)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.996e+01 2.370e-01 -4.736e-02 6.783e-03 / CHEB/ 2.378e+01 4.157e-01 -7.221e-02 6.074e-03 / CHEB/ -4.183e-01 2.907e-01 -3.010e-02 -4.621e-03 / CHEB/ -2.467e-01 1.620e-01 3.092e-03 -9.279e-03 / CHEB/ -1.393e-01 7.157e-02 1.491e-02 -6.540e-03 / CHEB/ -7.384e-02 2.575e-02 1.093e-02 -1.076e-03 /

1225.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.0	-3.5	+1.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-18.0	-3.5	+1.1	+3.2

Chebyshev(coeffs=[[-16.9187,0.147707,-0.0297525,0.00393827],[20.2365,0.271035,-0.05093,0.00531732],[-0.243178,0.21143,-0.030697,-9.85528e-06],[-0.171185,0.140291,-0.00999652,-0.00407473],[-0.111602,0.0793404,0.00305081,-0.00478988],[-0.0668062,0.0384076,0.00708676,-0.00292278]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 64.20
S298 (cal/mol*K) = 3.63
G298 (kcal/mol) = 63.12

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(145); C7H10(153)(+M)=>C7H10(145)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.692e+01 1.477e-01 -2.975e-02 3.938e-03 / CHEB/ 2.024e+01 2.710e-01 -5.093e-02 5.317e-03 / CHEB/ -2.432e-01 2.114e-01 -3.070e-02 -9.855e-06 / CHEB/ -1.712e-01 1.403e-01 -9.997e-03 -4.075e-03 / CHEB/ -1.116e-01 7.934e-02 3.051e-03 -4.790e-03 / CHEB/ -6.681e-02 3.841e-02 7.087e-03 -2.923e-03 /

1226.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.2	-2.9	+1.9	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-18.2	-2.9	+2.1	+4.4

Chebyshev(coeffs=[[-16.9391,0.186714,-0.0343318,0.00419213],[21.1205,0.339782,-0.0573097,0.00512005],[-0.0720586,0.258119,-0.0312831,-0.00135844],[-0.14578,0.163227,-0.00613808,-0.00571715],[-0.113187,0.0853684,0.00774305,-0.00558411],[-0.0702183,0.0365642,0.00989357,-0.00248902]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.98
S298 (cal/mol*K) = 7.43
G298 (kcal/mol) = 59.77

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(146); C7H10(153)(+M)=>C7H10(146)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.694e+01 1.867e-01 -3.433e-02 4.192e-03 / CHEB/ 2.112e+01 3.398e-01 -5.731e-02 5.120e-03 / CHEB/ -7.206e-02 2.581e-01 -3.128e-02 -1.358e-03 / CHEB/ -1.458e-01 1.632e-01 -6.138e-03 -5.717e-03 / CHEB/ -1.132e-01 8.537e-02 7.743e-03 -5.584e-03 / CHEB/ -7.022e-02 3.656e-02 9.894e-03 -2.489e-03 /

1227.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.7	-1.4	+2.4	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-1.4	+2.5	+4.3

Chebyshev(coeffs=[[-12.7767,0.101108,-0.0210176,0.00272817],[17.147,0.189316,-0.0376821,0.00426894],[-0.191599,0.156348,-0.0265216,0.00136022],[-0.132862,0.113736,-0.0134222,-0.00147442],[-0.0907763,0.0729062,-0.00296653,-0.0029379],[-0.057823,0.0411373,0.00270807,-0.00284603]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.10
S298 (cal/mol*K) = 3.98
G298 (kcal/mol) = 52.92

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(147); C7H10(153)(+M)=>C7H10(147)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.278e+01 1.011e-01 -2.102e-02 2.728e-03 / CHEB/ 1.715e+01 1.893e-01 -3.768e-02 4.269e-03 / CHEB/ -1.916e-01 1.563e-01 -2.652e-02 1.360e-03 / CHEB/ -1.329e-01 1.137e-01 -1.342e-02 -1.474e-03 / CHEB/ -9.078e-02 7.291e-02 -2.967e-03 -2.938e-03 / CHEB/ -5.782e-02 4.114e-02 2.708e-03 -2.846e-03 /

1228.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	+0.6	+3.4	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-8.2	+0.6	+3.5	+4.8

Chebyshev(coeffs=[[-7.52333,0.054354,-0.0123002,0.0016854],[12.3658,0.103827,-0.0229329,0.00293713],[-0.124573,0.0908646,-0.0185307,0.00175831],[-0.0804585,0.0727512,-0.0126611,0.000313591],[-0.0577647,0.0531997,-0.0069369,-0.000878904],[-0.0396201,0.0353014,-0.00261801,-0.0014863]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.60
S298 (cal/mol*K) = -3.25
G298 (kcal/mol) = 39.57

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(148); C7H10(153)(+M)=>C7H10(148)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.523e+00 5.435e-02 -1.230e-02 1.685e-03 / CHEB/ 1.237e+01 1.038e-01 -2.293e-02 2.937e-03 / CHEB/ -1.246e-01 9.086e-02 -1.853e-02 1.758e-03 / CHEB/ -8.046e-02 7.275e-02 -1.266e-02 3.136e-04 / CHEB/ -5.776e-02 5.320e-02 -6.937e-03 -8.789e-04 / CHEB/ -3.962e-02 3.530e-02 -2.618e-03 -1.486e-03 /

1229.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.3	-4.2	+0.8	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-21.3	-4.2	+1.1	+3.4

Chebyshev(coeffs=[[-20.1803,0.236765,-0.0473186,0.00677712],[23.8013,0.415448,-0.0721706,0.00607456],[-0.412622,0.290595,-0.030107,-0.00460923],[-0.244853,0.161945,0.00305906,-0.00926922],[-0.138664,0.0716061,0.0148825,-0.00653944],[-0.0736438,0.0257807,0.0109308,-0.00108152]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.70
S298 (cal/mol*K) = 13.55
G298 (kcal/mol) = 72.67

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(75); C7H10(153)(+M)=>C7H10(75)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.018e+01 2.368e-01 -4.732e-02 6.777e-03 / CHEB/ 2.380e+01 4.154e-01 -7.217e-02 6.075e-03 / CHEB/ -4.126e-01 2.906e-01 -3.011e-02 -4.609e-03 / CHEB/ -2.449e-01 1.619e-01 3.059e-03 -9.269e-03 / CHEB/ -1.387e-01 7.161e-02 1.488e-02 -6.539e-03 / CHEB/ -7.364e-02 2.578e-02 1.093e-02 -1.082e-03 /

1230.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	-2.2	+1.9	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-15.9	-2.2	+2.1	+4.0

Chebyshev(coeffs=[[-14.8959,0.131115,-0.0266139,0.00348266],[19.0569,0.242368,-0.046361,0.00497485],[-0.273403,0.192942,-0.0296018,0.000575995],[-0.171436,0.132253,-0.0115931,-0.00308886],[-0.109591,0.0781801,0.000801045,-0.00417481],[-0.0659621,0.0399394,0.0057187,-0.00301245]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.78
S298 (cal/mol*K) = 5.95
G298 (kcal/mol) = 59.01

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(149); C7H10(153)(+M)=>C7H10(149)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.490e+01 1.311e-01 -2.661e-02 3.483e-03 / CHEB/ 1.906e+01 2.424e-01 -4.636e-02 4.975e-03 / CHEB/ -2.734e-01 1.929e-01 -2.960e-02 5.760e-04 / CHEB/ -1.714e-01 1.323e-01 -1.159e-02 -3.089e-03 / CHEB/ -1.096e-01 7.818e-02 8.010e-04 -4.175e-03 / CHEB/ -6.596e-02 3.994e-02 5.719e-03 -3.012e-03 /

1231.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	+2.0	+5.5	+7.0
log₁₀(k(10 bar)/[mole,m,s])	-9.0	+1.9	+5.6	+7.3

Chebyshev(coeffs=[[-8.09529,0.08531,-0.0175331,0.00219939],[15.2623,0.161141,-0.0319493,0.00360773],[-0.0325315,0.136408,-0.0238099,0.00154909],[-0.0790383,0.103269,-0.0136683,-0.000679521],[-0.0703692,0.0698094,-0.00479325,-0.00214643],[-0.0503168,0.0419604,0.000813102,-0.00251012]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.09
S298 (cal/mol*K) = -1.57
G298 (kcal/mol) = 9.56

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(150); C7H10(153)(+M)=>C7H10(150)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.095e+00 8.531e-02 -1.753e-02 2.199e-03 / CHEB/ 1.526e+01 1.611e-01 -3.195e-02 3.608e-03 / CHEB/ -3.253e-02 1.364e-01 -2.381e-02 1.549e-03 / CHEB/ -7.904e-02 1.033e-01 -1.367e-02 -6.795e-04 / CHEB/ -7.037e-02 6.981e-02 -4.793e-03 -2.146e-03 / CHEB/ -5.032e-02 4.196e-02 8.131e-04 -2.510e-03 /

1232.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.1	+0.6	+4.8	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-13.1	+0.5	+4.9	+6.9

Chebyshev(coeffs=[[-12.0977,0.12546,-0.025552,0.00333354],[19.0717,0.232484,-0.0447658,0.00484931],[-0.187407,0.186359,-0.0291321,0.000752041],[-0.142135,0.129171,-0.0120497,-0.00276452],[-0.0991443,0.0775233,5.35197e-05,-0.00395175],[-0.0621921,0.0403432,0.00520216,-0.00301592]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.92
S298 (cal/mol*K) = 13.04
G298 (kcal/mol) = 56.04

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(151); C7H10(153)(+M)=>C7H10(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.210e+01 1.255e-01 -2.555e-02 3.334e-03 / CHEB/ 1.907e+01 2.325e-01 -4.477e-02 4.849e-03 / CHEB/ -1.874e-01 1.864e-01 -2.913e-02 7.520e-04 / CHEB/ -1.421e-01 1.292e-01 -1.205e-02 -2.765e-03 / CHEB/ -9.914e-02 7.752e-02 5.352e-05 -3.952e-03 / CHEB/ -6.219e-02 4.034e-02 5.202e-03 -3.016e-03 /

1233.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.7	+0.7	+6.2	+8.5
log₁₀(k(10 bar)/[mole,m,s])	-17.7	+0.7	+6.5	+9.1

Chebyshev(coeffs=[[-16.3536,0.290527,-0.0563208,0.00800124],[25.4777,0.498065,-0.080224,0.00513288],[-0.317748,0.329629,-0.0256218,-0.00778634],[-0.229833,0.166803,0.0121969,-0.0113201],[-0.133224,0.062659,0.0207311,-0.00615941],[-0.0695287,0.0176709,0.011467,0.000441431]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.76
S298 (cal/mol*K) = 25.96
G298 (kcal/mol) = 71.02

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(152); C7H10(153)(+M)=>C7H10(152)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.635e+01 2.905e-01 -5.632e-02 8.001e-03 / CHEB/ 2.548e+01 4.981e-01 -8.022e-02 5.133e-03 / CHEB/ -3.177e-01 3.296e-01 -2.562e-02 -7.786e-03 / CHEB/ -2.298e-01 1.668e-01 1.220e-02 -1.132e-02 / CHEB/ -1.332e-01 6.266e-02 2.073e-02 -6.159e-03 / CHEB/ -6.953e-02 1.767e-02 1.147e-02 4.414e-04 /

1234.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.4	-1.1	+4.4	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-1.0	+4.7	+7.2

Chebyshev(coeffs=[[-18.1378,0.276174,-0.0554506,0.00819337],[25.4641,0.473629,-0.0793796,0.0055576],[-0.367248,0.315541,-0.0268213,-0.00722077],[-0.234466,0.1623,0.0101092,-0.0110389],[-0.133186,0.0633817,0.0192565,-0.00631107],[-0.0696486,0.0195834,0.0111288,0.000108867]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.76
S298 (cal/mol*K) = 25.96
G298 (kcal/mol) = 71.02

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(153); C7H10(153)(+M)=>C7H10(153)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.814e+01 2.762e-01 -5.545e-02 8.193e-03 / CHEB/ 2.546e+01 4.736e-01 -7.938e-02 5.558e-03 / CHEB/ -3.672e-01 3.155e-01 -2.682e-02 -7.221e-03 / CHEB/ -2.345e-01 1.623e-01 1.011e-02 -1.104e-02 / CHEB/ -1.332e-01 6.338e-02 1.926e-02 -6.311e-03 / CHEB/ -6.965e-02 1.958e-02 1.113e-02 1.089e-04 /

1235.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.1	-2.4	+2.9	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-20.1	-2.3	+3.2	+5.6

Chebyshev(coeffs=[[-18.9094,0.262815,-0.052672,0.00770373],[24.6712,0.454334,-0.0771108,0.00580343],[-0.43774,0.30774,-0.0281199,-0.00630748],[-0.254911,0.162709,0.00768063,-0.0104922],[-0.140756,0.0663905,0.0178574,-0.00645701],[-0.0730201,0.0216679,0.0111434,-0.000305078]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.24
S298 (cal/mol*K) = 25.51
G298 (kcal/mol) = 68.64

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(154); C7H10(153)(+M)=>C7H10(154)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.891e+01 2.628e-01 -5.267e-02 7.704e-03 / CHEB/ 2.467e+01 4.543e-01 -7.711e-02 5.803e-03 / CHEB/ -4.377e-01 3.077e-01 -2.812e-02 -6.307e-03 / CHEB/ -2.549e-01 1.627e-01 7.681e-03 -1.049e-02 / CHEB/ -1.408e-01 6.639e-02 1.786e-02 -6.457e-03 / CHEB/ -7.302e-02 2.167e-02 1.114e-02 -3.051e-04 /

1236.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.0	-4.3	+1.3	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-23.0	-4.2	+1.6	+4.2

Chebyshev(coeffs=[[-21.7568,0.301746,-0.0608168,0.00914773],[26.0802,0.509374,-0.0832243,0.00488927],[-0.415022,0.328658,-0.0238303,-0.00903539],[-0.249691,0.160128,0.0148226,-0.0119225],[-0.13608,0.0571166,0.0216756,-0.00584691],[-0.0692259,0.0156981,0.0108926,0.000913701]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.51
S298 (cal/mol*K) = 6.70
G298 (kcal/mol) = 79.51

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(155); C7H10(153)(+M)=>C7H10(155)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.176e+01 3.017e-01 -6.082e-02 9.148e-03 / CHEB/ 2.608e+01 5.094e-01 -8.322e-02 4.889e-03 / CHEB/ -4.150e-01 3.287e-01 -2.383e-02 -9.035e-03 / CHEB/ -2.497e-01 1.601e-01 1.482e-02 -1.192e-02 / CHEB/ -1.361e-01 5.712e-02 2.168e-02 -5.847e-03 / CHEB/ -6.923e-02 1.570e-02 1.089e-02 9.137e-04 /

1238.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	+2.1	+5.2	+6.5
log₁₀(k(10 bar)/[mole,m,s])	-7.1	+2.5	+5.7	+7.2

Chebyshev(coeffs=[[-6.94726,1.05853,-0.322557,-0.00676779],[13.2757,0.296689,0.0241068,-0.0450625],[0.0714287,0.0394039,0.026115,-0.00128188],[-0.0365294,0.0639656,0.0140578,-0.00626833],[-0.0674819,0.071836,0.013253,-0.00879322],[-0.0409123,0.0362342,0.0103492,-0.00342904]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.12
S298 (cal/mol*K) = -1.84
G298 (kcal/mol) = 0.67

! PDep reaction: PDepNetwork #17 ! Flux pairs: S(66), S(261); S(66)(+M)=>S(261)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.947e+00 1.059e+00 -3.226e-01 -6.768e-03 / CHEB/ 1.328e+01 2.967e-01 2.411e-02 -4.506e-02 / CHEB/ 7.143e-02 3.940e-02 2.611e-02 -1.282e-03 / CHEB/ -3.653e-02 6.397e-02 1.406e-02 -6.268e-03 / CHEB/ -6.748e-02 7.184e-02 1.325e-02 -8.793e-03 / CHEB/ -4.091e-02 3.623e-02 1.035e-02 -3.429e-03 /

1239.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.0	+3.6	+6.1	+7.2
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+4.0	+6.6	+7.9

Chebyshev(coeffs=[[-3.53639,0.910754,-0.306431,0.0154937],[10.4698,0.394223,-0.00641376,-0.0583907],[0.141616,0.0675731,0.0334023,-0.00922035],[-0.00648631,0.0635162,0.0145942,-0.00604443],[-0.0519881,0.0690199,0.00980696,-0.00843726],[-0.0353767,0.0354429,0.00970233,-0.00382146]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.78
S298 (cal/mol*K) = 4.57
G298 (kcal/mol) = 10.42

! PDep reaction: PDepNetwork #17 ! Flux pairs: S(66), S(262); S(66)(+M)=>S(262)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.536e+00 9.108e-01 -3.064e-01 1.549e-02 / CHEB/ 1.047e+01 3.942e-01 -6.414e-03 -5.839e-02 / CHEB/ 1.416e-01 6.757e-02 3.340e-02 -9.220e-03 / CHEB/ -6.486e-03 6.352e-02 1.459e-02 -6.044e-03 / CHEB/ -5.199e-02 6.902e-02 9.807e-03 -8.437e-03 / CHEB/ -3.538e-02 3.544e-02 9.702e-03 -3.821e-03 /

1240.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	+2.3	+5.6	+7.1
log₁₀(k(10 bar)/[mole,m,s])	-7.6	+2.7	+6.2	+7.9

Chebyshev(coeffs=[[-7.38749,1.10277,-0.32264,-0.0139474],[14.304,0.277163,0.0306365,-0.0411254],[0.107477,0.0327136,0.0242788,0.000581071],[-0.0279009,0.0632813,0.0146396,-0.00591526],[-0.0665798,0.0720639,0.0147032,-0.0084742],[-0.0409494,0.0363375,0.0107636,-0.00315773]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.80
S298 (cal/mol*K) = 1.59
G298 (kcal/mol) = 20.33

! PDep reaction: PDepNetwork #17 ! Flux pairs: S(66), S(263); S(66)(+M)=>S(263)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.387e+00 1.103e+00 -3.226e-01 -1.395e-02 / CHEB/ 1.430e+01 2.772e-01 3.064e-02 -4.113e-02 / CHEB/ 1.075e-01 3.271e-02 2.428e-02 5.811e-04 / CHEB/ -2.790e-02 6.328e-02 1.464e-02 -5.915e-03 / CHEB/ -6.658e-02 7.206e-02 1.470e-02 -8.474e-03 / CHEB/ -4.095e-02 3.634e-02 1.076e-02 -3.158e-03 /

1241.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+5.5	+7.0	+7.6
log₁₀(k(10 bar)/[mole,m,s])	+1.1	+5.7	+7.4	+8.3

Chebyshev(coeffs=[[1.3077,0.589407,-0.210169,0.0267128],[5.94796,0.584427,-0.120253,-0.0385467],[0.113715,0.157698,0.0235785,-0.0338041],[0.0072722,0.058108,0.0238343,-0.0106792],[-0.0326415,0.0540672,0.00820161,-0.00495333],[-0.0288348,0.0329285,0.00750155,-0.00396523]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.25
S298 (cal/mol*K) = 4.68
G298 (kcal/mol) = 8.86

! PDep reaction: PDepNetwork #17 ! Flux pairs: S(66), S(264); S(66)(+M)=>S(264)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.308e+00 5.894e-01 -2.102e-01 2.671e-02 / CHEB/ 5.948e+00 5.844e-01 -1.203e-01 -3.855e-02 / CHEB/ 1.137e-01 1.577e-01 2.358e-02 -3.380e-02 / CHEB/ 7.272e-03 5.811e-02 2.383e-02 -1.068e-02 / CHEB/ -3.264e-02 5.407e-02 8.202e-03 -4.953e-03 / CHEB/ -2.883e-02 3.293e-02 7.502e-03 -3.965e-03 /

1242.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+4.8	+7.0	+8.0
log₁₀(k(10 bar)/[mole,m,s])	-1.8	+5.1	+7.5	+8.7

Chebyshev(coeffs=[[-1.66659,0.845564,-0.294426,0.0231732],[9.40118,0.43039,-0.0244277,-0.0604042],[0.114384,0.0811384,0.0341897,-0.0137511],[-0.0107616,0.063333,0.0150615,-0.00621943],[-0.0506877,0.0673868,0.00846284,-0.00811126],[-0.0346848,0.0350294,0.00922402,-0.00405846]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.80
S298 (cal/mol*K) = 1.59
G298 (kcal/mol) = 20.33

! PDep reaction: PDepNetwork #17 ! Flux pairs: S(66), S(265); S(66)(+M)=>S(265)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.667e+00 8.456e-01 -2.944e-01 2.317e-02 / CHEB/ 9.401e+00 4.304e-01 -2.443e-02 -6.040e-02 / CHEB/ 1.144e-01 8.114e-02 3.419e-02 -1.375e-02 / CHEB/ -1.076e-02 6.333e-02 1.506e-02 -6.219e-03 / CHEB/ -5.069e-02 6.739e-02 8.463e-03 -8.111e-03 / CHEB/ -3.468e-02 3.503e-02 9.224e-03 -4.058e-03 /

1243.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+6.3	+7.5	+7.9
log₁₀(k(10 bar)/[mole,m,s])	+2.5	+6.5	+7.9	+8.5

Chebyshev(coeffs=[[2.59004,0.538844,-0.195244,0.0261934],[5.16851,0.57492,-0.132035,-0.0305952],[-0.0629043,0.176461,0.0117257,-0.0342061],[-0.0445483,0.0643243,0.0216361,-0.0133119],[-0.046102,0.0521648,0.00821223,-0.00564507],[-0.0323112,0.0315894,0.00707521,-0.00412497]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.25
S298 (cal/mol*K) = 4.68
G298 (kcal/mol) = 8.86

! PDep reaction: PDepNetwork #17 ! Flux pairs: S(66), S(266); S(66)(+M)=>S(266)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.590e+00 5.388e-01 -1.952e-01 2.619e-02 / CHEB/ 5.169e+00 5.749e-01 -1.320e-01 -3.060e-02 / CHEB/ -6.290e-02 1.765e-01 1.173e-02 -3.421e-02 / CHEB/ -4.455e-02 6.432e-02 2.164e-02 -1.331e-02 / CHEB/ -4.610e-02 5.216e-02 8.212e-03 -5.645e-03 / CHEB/ -3.231e-02 3.159e-02 7.075e-03 -4.125e-03 /

1244.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+5.1	+6.2	+6.6
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+5.3	+6.6	+7.2

Chebyshev(coeffs=[[1.12072,0.568143,-0.212312,0.0317061],[5.48149,0.540712,-0.114852,-0.0373381],[-0.155311,0.163034,0.0137158,-0.0323458],[-0.0758278,0.068096,0.0176528,-0.0119616],[-0.0579243,0.0556699,0.0066763,-0.0061986],[-0.0356639,0.0317009,0.00715495,-0.00455085]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.87
S298 (cal/mol*K) = -5.94
G298 (kcal/mol) = -6.10

! PDep reaction: PDepNetwork #17 ! Flux pairs: S(66), S(267); S(66)(+M)=>S(267)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.121e+00 5.681e-01 -2.123e-01 3.171e-02 / CHEB/ 5.481e+00 5.407e-01 -1.149e-01 -3.734e-02 / CHEB/ -1.553e-01 1.630e-01 1.372e-02 -3.235e-02 / CHEB/ -7.583e-02 6.810e-02 1.765e-02 -1.196e-02 / CHEB/ -5.792e-02 5.567e-02 6.676e-03 -6.199e-03 / CHEB/ -3.566e-02 3.170e-02 7.155e-03 -4.551e-03 /

1245.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.3	-6.8	+0.0	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-27.6	-6.1	+0.8	+4.0

Chebyshev(coeffs=[[-26.7736,1.52037,-0.247327,-0.068794],[30.0965,0.0946523,0.036701,-0.0010673],[-0.078409,-0.0155586,-0.0010655,0.00530299],[-0.101904,0.0502711,0.019636,-0.000197608],[-0.110497,0.063533,0.025093,-0.000300066],[-0.0603252,0.032675,0.0133658,0.000453991]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.45
S298 (cal/mol*K) = 32.32
G298 (kcal/mol) = 88.82

! PDep reaction: PDepNetwork #17 ! Flux pairs: S(66), H(25); S(66), S(268); S(66)(+M)=>H(25)+S(268)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.677e+01 1.520e+00 -2.473e-01 -6.879e-02 / CHEB/ 3.010e+01 9.465e-02 3.670e-02 -1.067e-03 / CHEB/ -7.841e-02 -1.556e-02 -1.065e-03 5.303e-03 / CHEB/ -1.019e-01 5.027e-02 1.964e-02 -1.976e-04 / CHEB/ -1.105e-01 6.353e-02 2.509e-02 -3.001e-04 / CHEB/ -6.033e-02 3.267e-02 1.337e-02 4.540e-04 /

1246.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.0	-7.0	+0.1	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-28.3	-6.3	+0.8	+4.1

Chebyshev(coeffs=[[-27.3415,1.5261,-0.245353,-0.0690966],[30.716,0.093416,0.0365465,-0.00074322],[-0.0143493,-0.0159895,-0.00137407,0.00521427],[-0.0856822,0.0499071,0.0196421,-6.12031e-05],[-0.105391,0.0631924,0.025162,-9.92591e-05],[-0.0584303,0.0324994,0.0133822,0.000540043]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.98
S298 (cal/mol*K) = 32.21
G298 (kcal/mol) = 90.38

! PDep reaction: PDepNetwork #17 ! Flux pairs: S(66), H(25); S(66), S(42); S(66)(+M)=>H(25)+S(42)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.734e+01 1.526e+00 -2.454e-01 -6.910e-02 / CHEB/ 3.072e+01 9.342e-02 3.655e-02 -7.432e-04 / CHEB/ -1.435e-02 -1.599e-02 -1.374e-03 5.214e-03 / CHEB/ -8.568e-02 4.991e-02 1.964e-02 -6.120e-05 / CHEB/ -1.054e-01 6.319e-02 2.516e-02 -9.926e-05 / CHEB/ -5.843e-02 3.250e-02 1.338e-02 5.400e-04 /

1247.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.6	-5.2	+0.9	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-23.9	-4.6	+1.6	+4.6

Chebyshev(coeffs=[[-23.2333,1.46362,-0.265544,-0.0647648],[27.0685,0.110964,0.038931,-0.00486264],[-0.0421428,-0.0123394,0.00163718,0.00606626],[-0.0921765,0.0531313,0.0192302,-0.00148685],[-0.103721,0.0665558,0.0242877,-0.00215912],[-0.0566051,0.0341307,0.0131404,-0.000322304]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.32
S298 (cal/mol*K) = 25.80
G298 (kcal/mol) = 80.63

! PDep reaction: PDepNetwork #17 ! Flux pairs: S(66), H(25); S(66), S(269); S(66)(+M)=>H(25)+S(269)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.323e+01 1.464e+00 -2.655e-01 -6.476e-02 / CHEB/ 2.707e+01 1.110e-01 3.893e-02 -4.863e-03 / CHEB/ -4.214e-02 -1.234e-02 1.637e-03 6.066e-03 / CHEB/ -9.218e-02 5.313e-02 1.923e-02 -1.487e-03 / CHEB/ -1.037e-01 6.656e-02 2.429e-02 -2.159e-03 / CHEB/ -5.661e-02 3.413e-02 1.314e-02 -3.223e-04 /

1248.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.3	-6.8	+0.0	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-27.6	-6.1	+0.8	+4.0

Chebyshev(coeffs=[[-26.7736,1.52037,-0.247327,-0.068794],[30.0965,0.0946523,0.036701,-0.0010673],[-0.0784092,-0.0155586,-0.0010655,0.00530299],[-0.101904,0.0502711,0.019636,-0.000197609],[-0.110497,0.063533,0.025093,-0.000300067],[-0.0603252,0.032675,0.0133658,0.00045399]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.45
S298 (cal/mol*K) = 32.32
G298 (kcal/mol) = 88.82

! PDep reaction: PDepNetwork #17 ! Flux pairs: S(66), H(25); S(66), S(270); S(66)(+M)=>H(25)+S(270)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.677e+01 1.520e+00 -2.473e-01 -6.879e-02 / CHEB/ 3.010e+01 9.465e-02 3.670e-02 -1.067e-03 / CHEB/ -7.841e-02 -1.556e-02 -1.065e-03 5.303e-03 / CHEB/ -1.019e-01 5.027e-02 1.964e-02 -1.976e-04 / CHEB/ -1.105e-01 6.353e-02 2.509e-02 -3.001e-04 / CHEB/ -6.033e-02 3.267e-02 1.337e-02 4.540e-04 /

1249.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.7	-4.5	+1.4	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-22.0	-3.9	+2.1	+5.0

Chebyshev(coeffs=[[-21.2865,1.42616,-0.275948,-0.0609457],[25.3269,0.131722,0.042804,-0.00832556],[0.100392,-0.0074209,0.0047719,0.0065608],[-0.0489562,0.0551144,0.019175,-0.00203212],[-0.0879802,0.0679691,0.0237546,-0.00304384],[-0.0509491,0.0345898,0.0130674,-0.000562624]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.33
S298 (cal/mol*K) = 21.70
G298 (kcal/mol) = 73.87

! PDep reaction: PDepNetwork #17 ! Flux pairs: S(66), H(25); S(66), S(41); S(66)(+M)=>H(25)+S(41)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.129e+01 1.426e+00 -2.759e-01 -6.095e-02 / CHEB/ 2.533e+01 1.317e-01 4.280e-02 -8.326e-03 / CHEB/ 1.004e-01 -7.421e-03 4.772e-03 6.561e-03 / CHEB/ -4.896e-02 5.511e-02 1.918e-02 -2.032e-03 / CHEB/ -8.798e-02 6.797e-02 2.375e-02 -3.044e-03 / CHEB/ -5.095e-02 3.459e-02 1.307e-02 -5.626e-04 /

1250.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.0	-10.0	-2.3	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-33.2	-9.3	-1.5	+2.1

Chebyshev(coeffs=[[-32.1298,1.56992,-0.229592,-0.0708365],[33.5158,0.0825266,0.0345781,0.00163978],[-0.0128701,-0.0183061,-0.00349759,0.00428349],[-0.0900991,0.0470731,0.0196008,0.000962966],[-0.109796,0.0602141,0.0254469,0.0014153],[-0.0606888,0.0310444,0.0134184,0.00117435]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 29.23
G298 (kcal/mol) = 100.29

! PDep reaction: PDepNetwork #17 ! Flux pairs: S(66), H(25); S(66), S(271); S(66)(+M)=>H(25)+S(271)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.213e+01 1.570e+00 -2.296e-01 -7.084e-02 / CHEB/ 3.352e+01 8.253e-02 3.458e-02 1.640e-03 / CHEB/ -1.287e-02 -1.831e-02 -3.498e-03 4.283e-03 / CHEB/ -9.010e-02 4.707e-02 1.960e-02 9.630e-04 / CHEB/ -1.098e-01 6.021e-02 2.545e-02 1.415e-03 / CHEB/ -6.069e-02 3.104e-02 1.342e-02 1.174e-03 /

1251.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.0	-10.0	-2.3	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-33.2	-9.3	-1.5	+2.1

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 29.23
G298 (kcal/mol) = 100.29

! PDep reaction: PDepNetwork #17 ! Flux pairs: S(66), H(25); S(66), S(272); S(66)(+M)=>H(25)+S(272)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.213e+01 1.570e+00 -2.296e-01 -7.084e-02 / CHEB/ 3.352e+01 8.253e-02 3.458e-02 1.640e-03 / CHEB/ -1.287e-02 -1.831e-02 -3.498e-03 4.283e-03 / CHEB/ -9.010e-02 4.707e-02 1.960e-02 9.630e-04 / CHEB/ -1.098e-01 6.021e-02 2.545e-02 1.415e-03 / CHEB/ -6.069e-02 3.104e-02 1.342e-02 1.174e-03 /

1252.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.5	-3.7	+0.9	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-17.9	-3.2	+1.5	+3.8

Chebyshev(coeffs=[[-17.4912,1.31043,-0.30335,-0.047147],[20.494,0.162403,0.0408971,-0.0175206],[-0.00859715,0.00191544,0.0100479,0.0056534],[-0.0735757,0.0590508,0.0171163,-0.00440126],[-0.0895584,0.0712266,0.0205222,-0.00621405],[-0.0496589,0.0362174,0.0119342,-0.00207845]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.00
S298 (cal/mol*K) = -52.38
G298 (kcal/mol) = 4.61

! PDep reaction: PDepNetwork #17 ! Flux pairs: S(66), S(273); S(66)(+M)=>S(273)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.749e+01 1.310e+00 -3.034e-01 -4.715e-02 / CHEB/ 2.049e+01 1.624e-01 4.090e-02 -1.752e-02 / CHEB/ -8.597e-03 1.915e-03 1.005e-02 5.653e-03 / CHEB/ -7.358e-02 5.905e-02 1.712e-02 -4.401e-03 / CHEB/ -8.956e-02 7.123e-02 2.052e-02 -6.214e-03 / CHEB/ -4.966e-02 3.622e-02 1.193e-02 -2.078e-03 /

1253.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.1	+8.7	+9.3	+9.4
log₁₀(k(10 bar)/[mole,m,s])	+6.1	+8.8	+9.7	+10.0

Chebyshev(coeffs=[[6.0914,0.417482,-0.142976,0.0131598],[3.37162,0.587411,-0.164752,-0.00862526],[-0.172759,0.243184,-0.0234831,-0.029526],[-0.0744066,0.078123,0.0202099,-0.019888],[-0.0446981,0.0406005,0.0140704,-0.00823757],[-0.0299849,0.0264206,0.00787275,-0.00386803]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.00
S298 (cal/mol*K) = -51.00
G298 (kcal/mol) = 4.20

! PDep reaction: PDepNetwork #17 ! Flux pairs: S(66), S(274); S(66)(+M)=>S(274)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.091e+00 4.175e-01 -1.430e-01 1.316e-02 / CHEB/ 3.372e+00 5.874e-01 -1.648e-01 -8.625e-03 / CHEB/ -1.728e-01 2.432e-01 -2.348e-02 -2.953e-02 / CHEB/ -7.441e-02 7.812e-02 2.021e-02 -1.989e-02 / CHEB/ -4.470e-02 4.060e-02 1.407e-02 -8.238e-03 / CHEB/ -2.998e-02 2.642e-02 7.873e-03 -3.868e-03 /

1254.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+5.8	+7.8	+8.5
log₁₀(k(10 bar)/[mole,m,s])	-0.6	+6.1	+8.2	+9.2

Chebyshev(coeffs=[[-0.58766,0.834511,-0.29633,0.025053],[9.09078,0.408794,-0.0249221,-0.0581645],[-0.0526681,0.0824998,0.0305998,-0.0142104],[-0.0606744,0.0661623,0.0133302,-0.0073009],[-0.0660484,0.0680772,0.00741143,-0.00863827],[-0.0391578,0.0349056,0.00857712,-0.00433683]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.89
S298 (cal/mol*K) = 15.99
G298 (kcal/mol) = 7.12

! PDep reaction: PDepNetwork #17 ! Flux pairs: S(66), C7H10(1); S(66), HO2(43); S(66)(+M)=>C7H10(1)+HO2(43)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.877e-01 8.345e-01 -2.963e-01 2.505e-02 / CHEB/ 9.091e+00 4.088e-01 -2.492e-02 -5.816e-02 / CHEB/ -5.267e-02 8.250e-02 3.060e-02 -1.421e-02 / CHEB/ -6.067e-02 6.616e-02 1.333e-02 -7.301e-03 / CHEB/ -6.605e-02 6.808e-02 7.411e-03 -8.638e-03 / CHEB/ -3.916e-02 3.491e-02 8.577e-03 -4.337e-03 /

1255.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	+3.1	+6.2	+7.5
log₁₀(k(10 bar)/[mole,m,s])	-6.2	+3.5	+6.7	+8.2

Chebyshev(coeffs=[[-5.99305,1.06414,-0.323353,-0.00778105],[13.3635,0.287838,0.0246704,-0.043742],[0.0306114,0.0380421,0.0251807,-0.00111737],[-0.0484794,0.0642156,0.0138742,-0.00645079],[-0.0714143,0.0720396,0.0132486,-0.0089036],[-0.0421018,0.0362909,0.0102383,-0.00348673]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.73
S298 (cal/mol*K) = 36.63
G298 (kcal/mol) = 29.81

! PDep reaction: PDepNetwork #17 ! Flux pairs: S(66), C7H10(218); S(66), HO2(43); S(66)(+M)=>C7H10(218)+HO2(43)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.993e+00 1.064e+00 -3.234e-01 -7.781e-03 / CHEB/ 1.336e+01 2.878e-01 2.467e-02 -4.374e-02 / CHEB/ 3.061e-02 3.804e-02 2.518e-02 -1.117e-03 / CHEB/ -4.848e-02 6.422e-02 1.387e-02 -6.451e-03 / CHEB/ -7.141e-02 7.204e-02 1.325e-02 -8.904e-03 / CHEB/ -4.210e-02 3.629e-02 1.024e-02 -3.487e-03 /

1256.

→

PDepNetwork #17

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	+0.5	+5.0	+7.0
log₁₀(k(10 bar)/[mole,m,s])	-12.9	+1.0	+5.6	+7.8

Chebyshev(coeffs=[[-12.4823,1.27921,-0.30815,-0.0423042],[19.3551,0.185923,0.0426651,-0.0217679],[0.0685857,0.00699298,0.013012,0.00544585],[-0.049198,0.0599381,0.0169294,-0.00453041],[-0.080903,0.0716316,0.0199212,-0.00655225],[-0.0468876,0.0362499,0.0119303,-0.00212648]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.56
S298 (cal/mol*K) = 30.23
G298 (kcal/mol) = 51.55

! PDep reaction: PDepNetwork #17 ! Flux pairs: S(66), O(T)(260); S(66), S(275); S(66)(+M)=>O(T)(260)+S(275)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.248e+01 1.279e+00 -3.081e-01 -4.230e-02 / CHEB/ 1.936e+01 1.859e-01 4.267e-02 -2.177e-02 / CHEB/ 6.859e-02 6.993e-03 1.301e-02 5.446e-03 / CHEB/ -4.920e-02 5.994e-02 1.693e-02 -4.530e-03 / CHEB/ -8.090e-02 7.163e-02 1.992e-02 -6.552e-03 / CHEB/ -4.689e-02 3.625e-02 1.193e-02 -2.126e-03 /

1321.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.6	-5.4	-1.0	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-19.2	-5.6	-1.1	+0.9

Chebyshev(coeffs=[[-11.6259,-0.709847,-0.235022,-0.0128007],[18.5292,0.467144,0.0749631,-0.0489185],[0.135771,0.141071,0.0612986,0.00226896],[-0.039168,-0.0115851,0.021251,0.0152164],[-0.0480753,-0.0133278,0.00120955,0.00769467],[-0.0282971,-0.00314151,-0.0030438,0.00092485]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.13
S298 (cal/mol*K) = -5.39
G298 (kcal/mol) = 11.74

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(296); H(25), C7H10(296); C7H9(5)+H(25)(+M)=>C7H10(296)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.163e+01 -7.098e-01 -2.350e-01 -1.280e-02 / CHEB/ 1.853e+01 4.671e-01 7.496e-02 -4.892e-02 / CHEB/ 1.358e-01 1.411e-01 6.130e-02 2.269e-03 / CHEB/ -3.917e-02 -1.159e-02 2.125e-02 1.522e-02 / CHEB/ -4.808e-02 -1.333e-02 1.210e-03 7.695e-03 / CHEB/ -2.830e-02 -3.142e-03 -3.044e-03 9.249e-04 /

1322.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-2.3	+0.7	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-2.7	+0.5	+2.1

Chebyshev(coeffs=[[-4.76881,-0.922224,-0.134793,-0.000790969],[12.6079,0.523718,-0.0770839,-0.0440716],[0.295289,0.220501,0.0476194,-0.0173341],[-0.0220222,0.0268305,0.0451562,0.00209175],[-0.0387692,-0.0175135,0.0189963,0.0100584],[-0.0180143,-0.0142677,-0.000105262,0.00624624]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.53
S298 (cal/mol*K) = -8.83
G298 (kcal/mol) = 10.16

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(297); H(25), C7H10(297); C7H9(5)+H(25)(+M)=>C7H10(297)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.769e+00 -9.222e-01 -1.348e-01 -7.910e-04 / CHEB/ 1.261e+01 5.237e-01 -7.708e-02 -4.407e-02 / CHEB/ 2.953e-01 2.205e-01 4.762e-02 -1.733e-02 / CHEB/ -2.202e-02 2.683e-02 4.516e-02 2.092e-03 / CHEB/ -3.877e-02 -1.751e-02 1.900e-02 1.006e-02 / CHEB/ -1.801e-02 -1.427e-02 -1.053e-04 6.246e-03 /

1323.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.7	-3.9	-0.3	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-15.3	-4.2	-0.5	+1.2

Chebyshev(coeffs=[[-7.76604,-0.861668,-0.184557,0.002543],[14.8697,0.528208,-0.0136694,-0.0570028],[0.200988,0.184932,0.0574484,-0.0105798],[-0.0321986,0.00668011,0.0372857,0.00920776],[-0.0470605,-0.0170213,0.0104975,0.0104758],[-0.0150899,-0.00931439,-0.00254027,0.00423568]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.13
S298 (cal/mol*K) = -5.39
G298 (kcal/mol) = 11.74

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(298); H(25), C7H10(298); C7H9(5)+H(25)(+M)=>C7H10(298)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.766e+00 -8.617e-01 -1.846e-01 2.543e-03 / CHEB/ 1.487e+01 5.282e-01 -1.367e-02 -5.700e-02 / CHEB/ 2.010e-01 1.849e-01 5.745e-02 -1.058e-02 / CHEB/ -3.220e-02 6.680e-03 3.729e-02 9.208e-03 / CHEB/ -4.706e-02 -1.702e-02 1.050e-02 1.048e-02 / CHEB/ -1.509e-02 -9.314e-03 -2.540e-03 4.236e-03 /

1324.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.6	-4.7	-1.2	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-5.1	-1.3	+0.4

Chebyshev(coeffs=[[-8.69949,-0.857223,-0.184186,0.00230999],[14.9687,0.532963,-0.0116247,-0.0570279],[0.213714,0.184934,0.059125,-0.0100375],[-0.0280554,0.00521546,0.037444,0.00983914],[-0.0362598,-0.0180335,0.0101658,0.0107338],[-0.0228187,-0.0092017,-0.00289272,0.00415848]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.53
S298 (cal/mol*K) = -8.83
G298 (kcal/mol) = 10.16

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(299); H(25), C7H10(299); C7H9(5)+H(25)(+M)=>C7H10(299)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.699e+00 -8.572e-01 -1.842e-01 2.310e-03 / CHEB/ 1.497e+01 5.330e-01 -1.162e-02 -5.703e-02 / CHEB/ 2.137e-01 1.849e-01 5.912e-02 -1.004e-02 / CHEB/ -2.806e-02 5.215e-03 3.744e-02 9.839e-03 / CHEB/ -3.626e-02 -1.803e-02 1.017e-02 1.073e-02 / CHEB/ -2.282e-02 -9.202e-03 -2.893e-03 4.158e-03 /

1325.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.1	-5.1	-1.8	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-5.4	-2.0	-0.4

Chebyshev(coeffs=[[-8.1793,-0.899773,-0.157963,0.00175094],[13.6388,0.534222,-0.0485332,-0.0512052],[0.233997,0.203477,0.0532721,-0.0145791],[-0.0301855,0.0162284,0.0421466,0.00566103],[-0.0393683,-0.0178202,0.0149792,0.0106268],[-0.0201115,-0.0118339,-0.00147674,0.00540166]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.41
S298 (cal/mol*K) = -7.05
G298 (kcal/mol) = 28.52

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(300); H(25), C7H10(300); C7H9(5)+H(25)(+M)=>C7H10(300)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.179e+00 -8.998e-01 -1.580e-01 1.751e-03 / CHEB/ 1.364e+01 5.342e-01 -4.853e-02 -5.121e-02 / CHEB/ 2.340e-01 2.035e-01 5.327e-02 -1.458e-02 / CHEB/ -3.019e-02 1.623e-02 4.215e-02 5.661e-03 / CHEB/ -3.937e-02 -1.782e-02 1.498e-02 1.063e-02 / CHEB/ -2.011e-02 -1.183e-02 -1.477e-03 5.402e-03 /

1326.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.1	-5.1	-1.8	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-5.4	-2.0	-0.4

H298 (kcal/mol) = 26.00
S298 (cal/mol*K) = -3.64
G298 (kcal/mol) = 27.09

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(301); H(25), C7H10(301); C7H9(5)+H(25)(+M)=>C7H10(301)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.179e+00 -8.998e-01 -1.580e-01 1.751e-03 / CHEB/ 1.364e+01 5.342e-01 -4.853e-02 -5.121e-02 / CHEB/ 2.340e-01 2.035e-01 5.327e-02 -1.458e-02 / CHEB/ -3.019e-02 1.623e-02 4.215e-02 5.661e-03 / CHEB/ -3.937e-02 -1.782e-02 1.498e-02 1.063e-02 / CHEB/ -2.011e-02 -1.183e-02 -1.477e-03 5.402e-03 /

1327.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.4	-5.4	-0.6	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-20.9	-5.6	-0.7	+1.5

Chebyshev(coeffs=[[-13.482,-0.578855,-0.242314,-0.0347508],[21.2676,0.384217,0.111768,-0.024887],[-0.0614711,0.111876,0.0546666,0.00940669],[-0.0940649,-0.0159231,0.0102001,0.0140865],[-0.0602191,-0.0076412,-0.0010759,0.00398203],[-0.0369072,-0.000111554,-0.00176053,-0.000623371]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.83
S298 (cal/mol*K) = 30.67
G298 (kcal/mol) = 58.69

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(81); H(25), CH2(137); C7H9(5)+H(25)(+M)=>CH2(137)+C6H8(81)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.348e+01 -5.789e-01 -2.423e-01 -3.475e-02 / CHEB/ 2.127e+01 3.842e-01 1.118e-01 -2.489e-02 / CHEB/ -6.147e-02 1.119e-01 5.467e-02 9.407e-03 / CHEB/ -9.406e-02 -1.592e-02 1.020e-02 1.409e-02 / CHEB/ -6.022e-02 -7.641e-03 -1.076e-03 3.982e-03 / CHEB/ -3.691e-02 -1.116e-04 -1.761e-03 -6.234e-04 /

1328.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.6	+2.9	+4.1	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+2.3	+3.7	+4.2

Chebyshev(coeffs=[[6.32754,-0.750607,0.00268554,-0.0268445],[3.61248,-0.0261806,-0.176878,0.0420392],[0.526128,0.2388,-0.0580318,-0.0438407],[-0.0631894,0.147803,0.0222993,-0.0213475],[-0.0885978,0.0569338,0.0308373,0.00393062],[-0.0359561,0.00145526,0.0137549,0.00293499]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -43.48
S298 (cal/mol*K) = -10.25
G298 (kcal/mol) = -40.43

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(302); H(25), C7H10(302); C7H9(5)+H(25)(+M)=>C7H10(302)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.328e+00 -7.506e-01 2.686e-03 -2.684e-02 / CHEB/ 3.612e+00 -2.618e-02 -1.769e-01 4.204e-02 / CHEB/ 5.261e-01 2.388e-01 -5.803e-02 -4.384e-02 / CHEB/ -6.319e-02 1.478e-01 2.230e-02 -2.135e-02 / CHEB/ -8.860e-02 5.693e-02 3.084e-02 3.931e-03 / CHEB/ -3.596e-02 1.455e-03 1.375e-02 2.935e-03 /

1329.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.6	+2.9	+4.1	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+2.3	+3.7	+4.2

H298 (kcal/mol) = -40.79
S298 (cal/mol*K) = -9.41
G298 (kcal/mol) = -37.98

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(303); H(25), C7H10(303); C7H9(5)+H(25)(+M)=>C7H10(303)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.328e+00 -7.506e-01 2.686e-03 -2.684e-02 / CHEB/ 3.612e+00 -2.618e-02 -1.769e-01 4.204e-02 / CHEB/ 5.261e-01 2.388e-01 -5.803e-02 -4.384e-02 / CHEB/ -6.319e-02 1.478e-01 2.230e-02 -2.135e-02 / CHEB/ -8.860e-02 5.693e-02 3.084e-02 3.931e-03 / CHEB/ -3.596e-02 1.455e-03 1.375e-02 2.935e-03 /

1330.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.5	-13.5	-5.2	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-38.6	-13.5	-5.3	-1.3

Chebyshev(coeffs=[[-30.4428,-0.242483,-0.142684,-0.0568847],[35.2042,0.159676,0.0858217,0.0262334],[0.0788844,0.0489185,0.0292552,0.0120208],[-0.0703472,-0.013804,-0.00428362,0.00194405],[-0.0559045,0.000227553,-0.000219648,-0.000320749],[-0.0308477,0.00129262,0.000277334,-0.00032794]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 105.06
S298 (cal/mol*K) = 35.61
G298 (kcal/mol) = 94.45

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H6(304); H(25), C3H4(73); C7H9(5)+H(25)(+M)=>C3H4(73)+C4H6(304)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.044e+01 -2.425e-01 -1.427e-01 -5.688e-02 / CHEB/ 3.520e+01 1.597e-01 8.582e-02 2.623e-02 / CHEB/ 7.888e-02 4.892e-02 2.926e-02 1.202e-02 / CHEB/ -7.035e-02 -1.380e-02 -4.284e-03 1.944e-03 / CHEB/ -5.590e-02 2.276e-04 -2.196e-04 -3.207e-04 / CHEB/ -3.085e-02 1.293e-03 2.773e-04 -3.279e-04 /

1331.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.8	-13.9	-5.7	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-39.0	-14.0	-5.8	-1.8

Chebyshev(coeffs=[[-30.8151,-0.244423,-0.143606,-0.0570489],[35.0839,0.160953,0.0862972,0.0261703],[0.0784563,0.049273,0.0294367,0.0120648],[-0.0721351,-0.0138075,-0.00422156,0.00202335],[-0.0578491,0.000252796,-0.000206582,-0.000313644],[-0.0313959,0.00129652,0.000273519,-0.000333857]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 104.47
S298 (cal/mol*K) = 32.57
G298 (kcal/mol) = 94.77

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(305); H(25), CH2(T)(82); C7H9(5)+H(25)(+M)=>CH2(T)(82)+C6H8(305)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.082e+01 -2.444e-01 -1.436e-01 -5.705e-02 / CHEB/ 3.508e+01 1.610e-01 8.630e-02 2.617e-02 / CHEB/ 7.846e-02 4.927e-02 2.944e-02 1.206e-02 / CHEB/ -7.214e-02 -1.381e-02 -4.222e-03 2.023e-03 / CHEB/ -5.785e-02 2.528e-04 -2.066e-04 -3.136e-04 / CHEB/ -3.140e-02 1.297e-03 2.735e-04 -3.339e-04 /

1332.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.3	-2.3	+0.8	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-12.9	-2.7	+0.7	+2.2

Chebyshev(coeffs=[[-5.4582,-0.90181,-0.16306,0.00258958],[13.6302,0.525335,-0.0452331,-0.0522155],[0.13431,0.200646,0.0503745,-0.0146202],[-0.055103,0.0175548,0.0408452,0.00515299],[-0.0468568,-0.0160405,0.0152097,0.0100817],[-0.0222856,-0.0112589,-0.000939084,0.00530781]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.82
S298 (cal/mol*K) = 2.31
G298 (kcal/mol) = 10.14

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(306); H(25), C7H10(306); C7H9(5)+H(25)(+M)=>C7H10(306)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.458e+00 -9.018e-01 -1.631e-01 2.590e-03 / CHEB/ 1.363e+01 5.253e-01 -4.523e-02 -5.222e-02 / CHEB/ 1.343e-01 2.006e-01 5.037e-02 -1.462e-02 / CHEB/ -5.510e-02 1.755e-02 4.085e-02 5.153e-03 / CHEB/ -4.686e-02 -1.604e-02 1.521e-02 1.008e-02 / CHEB/ -2.229e-02 -1.126e-02 -9.391e-04 5.308e-03 /

1333.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.0	-6.8	-1.1	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-27.1	-6.5	-0.5	+2.0

Chebyshev(coeffs=[[-26.1875,0.348903,-0.1863,-0.0231059],[28.6887,0.80213,-0.0331702,0.014989],[-0.870767,0.332403,-0.00229844,-0.0262257],[-0.354964,0.0963671,0.0359264,-0.0149008],[-0.141566,0.0145286,0.0311805,0.00360425],[-0.0614682,0.00415993,0.00919646,0.00763336]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.63
S298 (cal/mol*K) = 36.12
G298 (kcal/mol) = 87.87

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C3H5(129); C7H10(153), C4H5(156); C7H10(153)(+M)=>C3H5(129)+C4H5(156)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.619e+01 3.489e-01 -1.863e-01 -2.311e-02 / CHEB/ 2.869e+01 8.021e-01 -3.317e-02 1.499e-02 / CHEB/ -8.708e-01 3.324e-01 -2.298e-03 -2.623e-02 / CHEB/ -3.550e-01 9.637e-02 3.593e-02 -1.490e-02 / CHEB/ -1.416e-01 1.453e-02 3.118e-02 3.604e-03 / CHEB/ -6.147e-02 4.160e-03 9.196e-03 7.633e-03 /

1334.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.5	-10.8	-4.1	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-33.5	-10.4	-3.4	-0.3

Chebyshev(coeffs=[[-32.3682,0.559114,-0.21854,-0.00931923],[32.2126,0.880478,-0.00764286,-0.0127134],[-0.706049,0.28501,0.0410521,-0.030377],[-0.274078,0.0315949,0.0459398,-0.0023982],[-0.0997384,-0.0173274,0.0202479,0.0113859],[-0.0460461,-0.00014726,0.000873267,0.00664626]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 108.45
S298 (cal/mol*K) = 26.48
G298 (kcal/mol) = 100.56

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(187); C7H10(153)(+M)=>H(25)+C7H9(187)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.237e+01 5.591e-01 -2.185e-01 -9.319e-03 / CHEB/ 3.221e+01 8.805e-01 -7.643e-03 -1.271e-02 / CHEB/ -7.060e-01 2.850e-01 4.105e-02 -3.038e-02 / CHEB/ -2.741e-01 3.159e-02 4.594e-02 -2.398e-03 / CHEB/ -9.974e-02 -1.733e-02 2.025e-02 1.139e-02 / CHEB/ -4.605e-02 -1.473e-04 8.733e-04 6.646e-03 /

1335.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.3	-7.9	-1.9	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-28.4	-7.7	-1.4	+1.4

Chebyshev(coeffs=[[-27.1205,0.261979,-0.177972,-0.0291499],[28.6468,0.745953,-0.0293339,0.0231676],[-0.556983,0.33233,-0.0186771,-0.0207878],[-0.272276,0.121293,0.0251927,-0.0170159],[-0.122333,0.0339311,0.0314872,-0.000218527],[-0.0566203,0.0102073,0.0129019,0.00655902]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 95.35
S298 (cal/mol*K) = 18.93
G298 (kcal/mol) = 89.71

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(188); C7H10(153)(+M)=>H(25)+C7H9(188)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.712e+01 2.620e-01 -1.780e-01 -2.915e-02 / CHEB/ 2.865e+01 7.460e-01 -2.933e-02 2.317e-02 / CHEB/ -5.570e-01 3.323e-01 -1.868e-02 -2.079e-02 / CHEB/ -2.723e-01 1.213e-01 2.519e-02 -1.702e-02 / CHEB/ -1.223e-01 3.393e-02 3.149e-02 -2.185e-04 / CHEB/ -5.662e-02 1.021e-02 1.290e-02 6.559e-03 /

1336.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.1	-12.6	-5.2	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-37.0	-12.0	-4.4	-1.0

Chebyshev(coeffs=[[-35.9322,0.846749,-0.267762,-0.00382816],[35.0115,0.85,0.0782736,-0.0427353],[-0.677353,0.186184,0.0717558,-0.0124879],[-0.234732,-0.0249376,0.0292201,0.0132792],[-0.0765915,-0.029563,0.00144232,0.0110562],[-0.0398356,0.00370036,-0.00298313,0.0016571]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 117.95
S298 (cal/mol*K) = 27.13
G298 (kcal/mol) = 109.87

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(189); C7H10(153)(+M)=>H(25)+C7H9(189)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.593e+01 8.467e-01 -2.678e-01 -3.828e-03 / CHEB/ 3.501e+01 8.500e-01 7.827e-02 -4.274e-02 / CHEB/ -6.774e-01 1.862e-01 7.176e-02 -1.249e-02 / CHEB/ -2.347e-01 -2.494e-02 2.922e-02 1.328e-02 / CHEB/ -7.659e-02 -2.956e-02 1.442e-03 1.106e-02 / CHEB/ -3.984e-02 3.700e-03 -2.983e-03 1.657e-03 /

1337.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.7	-10.5	-3.9	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-32.8	-10.2	-3.3	-0.2

Chebyshev(coeffs=[[-31.5506,0.465754,-0.200616,-0.0161069],[31.3964,0.867309,-0.0247259,0.00149197],[-0.594974,0.315412,0.0229857,-0.0305284],[-0.261894,0.058463,0.0452971,-0.00886428],[-0.10143,-0.00763032,0.0265124,0.0087636],[-0.0458132,-0.000584585,0.00395075,0.00777471]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 103.15
S298 (cal/mol*K) = 18.81
G298 (kcal/mol) = 97.55

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(190); C7H10(153)(+M)=>H(25)+C7H9(190)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.155e+01 4.658e-01 -2.006e-01 -1.611e-02 / CHEB/ 3.140e+01 8.673e-01 -2.473e-02 1.492e-03 / CHEB/ -5.950e-01 3.154e-01 2.299e-02 -3.053e-02 / CHEB/ -2.619e-01 5.846e-02 4.530e-02 -8.864e-03 / CHEB/ -1.014e-01 -7.630e-03 2.651e-02 8.764e-03 / CHEB/ -4.581e-02 -5.846e-04 3.951e-03 7.775e-03 /

1338.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-41.0	-15.2	-7.2	-3.5
log₁₀(k(10 bar)/[mole,m,s])	-40.7	-14.4	-6.3	-2.6

Chebyshev(coeffs=[[-39.7205,1.0711,-0.288534,-0.0176156],[37.0567,0.751435,0.146515,-0.0379508],[-0.640559,0.117886,0.0685988,0.00541184],[-0.202602,-0.0450454,0.00869965,0.015085],[-0.0611161,-0.027757,-0.00734409,0.00583489],[-0.0369777,0.00736797,-0.00138265,-0.000861276]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 124.45
S298 (cal/mol*K) = 24.43
G298 (kcal/mol) = 117.17

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(191); C7H10(153)(+M)=>H(25)+C7H9(191)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.972e+01 1.071e+00 -2.885e-01 -1.762e-02 / CHEB/ 3.706e+01 7.514e-01 1.465e-01 -3.795e-02 / CHEB/ -6.406e-01 1.179e-01 6.860e-02 5.412e-03 / CHEB/ -2.026e-01 -4.505e-02 8.700e-03 1.508e-02 / CHEB/ -6.112e-02 -2.776e-02 -7.344e-03 5.835e-03 / CHEB/ -3.698e-02 7.368e-03 -1.383e-03 -8.613e-04 /

1339.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-41.0	-15.2	-7.2	-3.5
log₁₀(k(10 bar)/[mole,m,s])	-40.7	-14.4	-6.3	-2.6

H298 (kcal/mol) = 124.45
S298 (cal/mol*K) = 24.43
G298 (kcal/mol) = 117.17

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), H(25); C7H10(153), C7H9(192); C7H10(153)(+M)=>H(25)+C7H9(192)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.972e+01 1.071e+00 -2.885e-01 -1.762e-02 / CHEB/ 3.706e+01 7.514e-01 1.465e-01 -3.795e-02 / CHEB/ -6.406e-01 1.179e-01 6.860e-02 5.412e-03 / CHEB/ -2.026e-01 -4.505e-02 8.700e-03 1.508e-02 / CHEB/ -6.112e-02 -2.776e-02 -7.344e-03 5.835e-03 / CHEB/ -3.698e-02 7.368e-03 -1.383e-03 -8.613e-04 /

1340.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.4	-10.6	-3.6	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-34.3	-10.0	-2.7	+0.5

Chebyshev(coeffs=[[-33.3975,0.806876,-0.262407,-0.00288496],[34.1004,0.859578,0.0655214,-0.0407525],[-0.809731,0.200527,0.0697963,-0.0159127],[-0.275071,-0.0187012,0.0326409,0.0118705],[-0.0908845,-0.0291265,0.00379683,0.0117241],[-0.0446884,0.00288906,-0.00288928,0.0023397]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 113.95
S298 (cal/mol*K) = 35.86
G298 (kcal/mol) = 103.27

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), CH2(137); C7H10(153), C6H8(193); C7H10(153)(+M)=>CH2(137)+C6H8(193)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.340e+01 8.069e-01 -2.624e-01 -2.885e-03 / CHEB/ 3.410e+01 8.596e-01 6.552e-02 -4.075e-02 / CHEB/ -8.097e-01 2.005e-01 6.980e-02 -1.591e-02 / CHEB/ -2.751e-01 -1.870e-02 3.264e-02 1.187e-02 / CHEB/ -9.088e-02 -2.913e-02 3.797e-03 1.172e-02 / CHEB/ -4.469e-02 2.889e-03 -2.889e-03 2.340e-03 /

1341.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.1	-3.8	+1.0	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-20.2	-3.9	+1.2	+3.4

Chebyshev(coeffs=[[-19.1785,-0.0338635,-0.181881,-0.0485294],[22.834,0.557551,0.0307951,0.0321126],[-0.444867,0.244382,-0.0390626,0.00034574],[-0.235706,0.139305,-0.0130198,-0.0115458],[-0.124788,0.0853958,0.0154618,-0.00558278],[-0.066317,0.0418417,0.0172766,0.0011118]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.87
S298 (cal/mol*K) = 5.64
G298 (kcal/mol) = 68.19

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(194); C7H10(153)(+M)=>C7H10(194)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.918e+01 -3.386e-02 -1.819e-01 -4.853e-02 / CHEB/ 2.283e+01 5.576e-01 3.080e-02 3.211e-02 / CHEB/ -4.449e-01 2.444e-01 -3.906e-02 3.457e-04 / CHEB/ -2.357e-01 1.393e-01 -1.302e-02 -1.155e-02 / CHEB/ -1.248e-01 8.540e-02 1.546e-02 -5.583e-03 / CHEB/ -6.632e-02 4.184e-02 1.728e-02 1.112e-03 /

1342.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.1	-3.7	+1.1	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-20.2	-3.8	+1.3	+3.6

Chebyshev(coeffs=[[-19.1817,-0.0322888,-0.181803,-0.0484384],[22.9806,0.558894,0.0304703,0.0321559],[-0.416836,0.245004,-0.0391727,0.000228593],[-0.229447,0.139499,-0.0128617,-0.0116271],[-0.12275,0.085282,0.0156133,-0.00558699],[-0.0654065,0.0416607,0.017301,0.00114085]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.27
S298 (cal/mol*K) = 6.29
G298 (kcal/mol) = 68.40

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(195); C7H10(153)(+M)=>C7H10(195)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.918e+01 -3.229e-02 -1.818e-01 -4.844e-02 / CHEB/ 2.298e+01 5.589e-01 3.047e-02 3.216e-02 / CHEB/ -4.168e-01 2.450e-01 -3.917e-02 2.286e-04 / CHEB/ -2.294e-01 1.395e-01 -1.286e-02 -1.163e-02 / CHEB/ -1.227e-01 8.528e-02 1.561e-02 -5.587e-03 / CHEB/ -6.541e-02 4.166e-02 1.730e-02 1.141e-03 /

1343.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.8	-5.3	+0.2	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-23.9	-5.2	+0.5	+3.1

Chebyshev(coeffs=[[-22.6739,0.107183,-0.173012,-0.0399903],[25.9129,0.637463,-0.00454611,0.0316897],[-0.469963,0.298497,-0.0368335,-0.00963359],[-0.254396,0.145122,0.00335226,-0.0159246],[-0.128352,0.0671459,0.0251868,-0.00470653],[-0.0637185,0.0264239,0.0170949,0.0035167]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.87
S298 (cal/mol*K) = 5.64
G298 (kcal/mol) = 68.19

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(196); C7H10(153)(+M)=>C7H10(196)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.267e+01 1.072e-01 -1.730e-01 -3.999e-02 / CHEB/ 2.591e+01 6.375e-01 -4.546e-03 3.169e-02 / CHEB/ -4.700e-01 2.985e-01 -3.683e-02 -9.634e-03 / CHEB/ -2.544e-01 1.451e-01 3.352e-03 -1.592e-02 / CHEB/ -1.284e-01 6.715e-02 2.519e-02 -4.707e-03 / CHEB/ -6.372e-02 2.642e-02 1.709e-02 3.517e-03 /

1344.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.2	-5.5	-0.0	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-24.2	-5.5	+0.3	+2.9

Chebyshev(coeffs=[[-23.0309,0.11855,-0.17324,-0.039568],[26.0517,0.651643,-0.0056462,0.0315307],[-0.449442,0.30486,-0.0360942,-0.01033],[-0.254047,0.145841,0.00492821,-0.0162185],[-0.128525,0.0654534,0.0260709,-0.00453732],[-0.0632464,0.024878,0.0170489,0.00376549]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.27
S298 (cal/mol*K) = 6.29
G298 (kcal/mol) = 68.40

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(197); C7H10(153)(+M)=>C7H10(197)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.303e+01 1.186e-01 -1.732e-01 -3.957e-02 / CHEB/ 2.605e+01 6.516e-01 -5.646e-03 3.153e-02 / CHEB/ -4.494e-01 3.049e-01 -3.609e-02 -1.033e-02 / CHEB/ -2.540e-01 1.458e-01 4.928e-03 -1.622e-02 / CHEB/ -1.285e-01 6.545e-02 2.607e-02 -4.537e-03 / CHEB/ -6.325e-02 2.488e-02 1.705e-02 3.765e-03 /

1345.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.8	-5.3	+0.2	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-23.9	-5.2	+0.5	+3.1

H298 (kcal/mol) = 69.87
S298 (cal/mol*K) = 7.02
G298 (kcal/mol) = 67.78

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(198); C7H10(153)(+M)=>C7H10(198)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.267e+01 1.072e-01 -1.730e-01 -3.999e-02 / CHEB/ 2.591e+01 6.375e-01 -4.546e-03 3.169e-02 / CHEB/ -4.700e-01 2.985e-01 -3.683e-02 -9.634e-03 / CHEB/ -2.544e-01 1.451e-01 3.352e-03 -1.592e-02 / CHEB/ -1.284e-01 6.715e-02 2.519e-02 -4.707e-03 / CHEB/ -6.372e-02 2.642e-02 1.709e-02 3.517e-03 /

1346.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.3	-4.8	-0.2	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-20.4	-4.8	+0.0	+2.2

Chebyshev(coeffs=[[-19.4337,-0.0847163,-0.188373,-0.0507024],[21.8143,0.539514,0.0445366,0.0303807],[-0.411713,0.224082,-0.036882,0.00378186],[-0.219869,0.132113,-0.017207,-0.00963459],[-0.118364,0.0882624,0.0119545,-0.0054401],[-0.0645929,0.0463789,0.0165899,0.000512088]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.87
S298 (cal/mol*K) = 5.64
G298 (kcal/mol) = 68.19

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(199); C7H10(153)(+M)=>C7H10(199)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.943e+01 -8.472e-02 -1.884e-01 -5.070e-02 / CHEB/ 2.181e+01 5.395e-01 4.454e-02 3.038e-02 / CHEB/ -4.117e-01 2.241e-01 -3.688e-02 3.782e-03 / CHEB/ -2.199e-01 1.321e-01 -1.721e-02 -9.635e-03 / CHEB/ -1.184e-01 8.826e-02 1.195e-02 -5.440e-03 / CHEB/ -6.459e-02 4.638e-02 1.659e-02 5.121e-04 /

1347.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.0	-6.4	-1.2	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-24.1	-6.4	-1.0	+1.4

Chebyshev(coeffs=[[-22.984,0.0482872,-0.175122,-0.0438606],[24.6065,0.600396,0.00939001,0.0327722],[-0.465709,0.277241,-0.0394202,-0.0054066],[-0.251635,0.145652,-0.00420734,-0.0143585],[-0.129678,0.0765784,0.021326,-0.00538651],[-0.0659643,0.0331553,0.0175928,0.00239888]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.37
S298 (cal/mol*K) = 6.29
G298 (kcal/mol) = 77.50

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(200); C7H10(153)(+M)=>C7H10(200)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.298e+01 4.829e-02 -1.751e-01 -4.386e-02 / CHEB/ 2.461e+01 6.004e-01 9.390e-03 3.277e-02 / CHEB/ -4.657e-01 2.772e-01 -3.942e-02 -5.407e-03 / CHEB/ -2.516e-01 1.457e-01 -4.207e-03 -1.436e-02 / CHEB/ -1.297e-01 7.658e-02 2.133e-02 -5.387e-03 / CHEB/ -6.596e-02 3.316e-02 1.759e-02 2.399e-03 /

1348.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.2	-6.6	-1.5	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-24.3	-6.6	-1.2	+1.2

Chebyshev(coeffs=[[-23.1547,0.0482872,-0.175122,-0.0438606],[24.5398,0.600396,0.00939001,0.0327722],[-0.480448,0.277241,-0.0394202,-0.0054066],[-0.255975,0.145652,-0.00420734,-0.0143585],[-0.131115,0.0765784,0.021326,-0.00538651],[-0.0664705,0.0331553,0.0175928,0.00239888]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.37
S298 (cal/mol*K) = 6.29
G298 (kcal/mol) = 77.50

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(201); C7H10(153)(+M)=>C7H10(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.315e+01 4.829e-02 -1.751e-01 -4.386e-02 / CHEB/ 2.454e+01 6.004e-01 9.390e-03 3.277e-02 / CHEB/ -4.804e-01 2.772e-01 -3.942e-02 -5.407e-03 / CHEB/ -2.560e-01 1.457e-01 -4.207e-03 -1.436e-02 / CHEB/ -1.311e-01 7.658e-02 2.133e-02 -5.387e-03 / CHEB/ -6.647e-02 3.316e-02 1.759e-02 2.399e-03 /

1349.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.5	-3.4	+1.5	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-19.6	-3.4	+1.6	+3.9

Chebyshev(coeffs=[[-18.5272,-0.0626772,-0.185378,-0.0498433],[22.5932,0.546582,0.0385999,0.0312629],[-0.350822,0.232772,-0.0380047,0.00230386],[-0.204868,0.135477,-0.015514,-0.0104768],[-0.114027,0.0872531,0.0134558,-0.00551679],[-0.062874,0.0445003,0.016928,0.000756072]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.87
S298 (cal/mol*K) = 8.23
G298 (kcal/mol) = 69.42

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(202); C7H10(153)(+M)=>C7H10(202)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.853e+01 -6.268e-02 -1.854e-01 -4.984e-02 / CHEB/ 2.259e+01 5.466e-01 3.860e-02 3.126e-02 / CHEB/ -3.508e-01 2.328e-01 -3.800e-02 2.304e-03 / CHEB/ -2.049e-01 1.355e-01 -1.551e-02 -1.048e-02 / CHEB/ -1.140e-01 8.725e-02 1.346e-02 -5.517e-03 / CHEB/ -6.287e-02 4.450e-02 1.693e-02 7.561e-04 /

1350.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.3	-1.4	+3.3	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-17.4	-1.5	+3.5	+5.7

Chebyshev(coeffs=[[-16.3807,-0.0669788,-0.186122,-0.0499827],[22.2914,0.546471,0.0399584,0.0311059],[-0.388801,0.231027,-0.0379463,0.00258217],[-0.218987,0.134881,-0.0158453,-0.0103616],[-0.118645,0.087509,0.0132399,-0.00551097],[-0.0642324,0.0448244,0.0168887,0.000721732]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.46
S298 (cal/mol*K) = 11.34
G298 (kcal/mol) = 68.08

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(58); C7H10(153)(+M)=>C7H10(58)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.638e+01 -6.698e-02 -1.861e-01 -4.998e-02 / CHEB/ 2.229e+01 5.465e-01 3.996e-02 3.111e-02 / CHEB/ -3.888e-01 2.310e-01 -3.795e-02 2.582e-03 / CHEB/ -2.190e-01 1.349e-01 -1.585e-02 -1.036e-02 / CHEB/ -1.186e-01 8.751e-02 1.324e-02 -5.511e-03 / CHEB/ -6.423e-02 4.482e-02 1.689e-02 7.217e-04 /

1351.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.3	-5.1	+0.4	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-23.4	-5.0	+0.7	+3.2

Chebyshev(coeffs=[[-22.2634,0.0912903,-0.173294,-0.0410569],[25.6085,0.626662,-0.00101704,0.0320879],[-0.461717,0.293085,-0.0377465,-0.00847546],[-0.250816,0.145747,0.00121463,-0.0155366],[-0.12792,0.0699441,0.0241733,-0.00494568],[-0.0641712,0.0282725,0.0172911,0.00319697]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.43
S298 (cal/mol*K) = 9.88
G298 (kcal/mol) = 79.49

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(203); C7H10(153)(+M)=>C7H10(203)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.226e+01 9.129e-02 -1.733e-01 -4.106e-02 / CHEB/ 2.561e+01 6.267e-01 -1.017e-03 3.209e-02 / CHEB/ -4.617e-01 2.931e-01 -3.775e-02 -8.475e-03 / CHEB/ -2.508e-01 1.457e-01 1.215e-03 -1.554e-02 / CHEB/ -1.279e-01 6.994e-02 2.417e-02 -4.946e-03 / CHEB/ -6.417e-02 2.827e-02 1.729e-02 3.197e-03 /

1352.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	+2.1	+5.2	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-8.3	+1.9	+5.2	+6.8

Chebyshev(coeffs=[[-7.39035,-0.599432,-0.259576,-0.0201059],[14.1706,0.691808,0.106433,-0.0384211],[-0.121653,0.133239,0.0247726,0.0225215],[-0.107919,0.0405681,-0.0199841,0.0115274],[-0.0538849,0.0652741,-0.00943503,-0.00261033],[-0.0306502,0.0581934,0.00546054,-0.00284652]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.98
S298 (cal/mol*K) = 1.06
G298 (kcal/mol) = 42.67

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(57); C7H10(153)(+M)=>C7H10(57)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.390e+00 -5.994e-01 -2.596e-01 -2.011e-02 / CHEB/ 1.417e+01 6.918e-01 1.064e-01 -3.842e-02 / CHEB/ -1.217e-01 1.332e-01 2.477e-02 2.252e-02 / CHEB/ -1.079e-01 4.057e-02 -1.998e-02 1.153e-02 / CHEB/ -5.388e-02 6.527e-02 -9.435e-03 -2.610e-03 / CHEB/ -3.065e-02 5.819e-02 5.461e-03 -2.847e-03 /

1353.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.6	-5.6	+0.9	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-27.7	-5.3	+1.5	+4.5

Chebyshev(coeffs=[[-26.4418,0.4377,-0.196904,-0.0177171],[31.0605,0.853819,-0.0280855,0.00498326],[-0.598258,0.321225,0.0168491,-0.0299021],[-0.266248,0.0676753,0.0437392,-0.0106043],[-0.104902,-0.00285808,0.0280369,0.0076155],[-0.0472074,0.000216092,0.00517438,0.00788817]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.28
S298 (cal/mol*K) = 17.53
G298 (kcal/mol) = 78.05

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(204); C7H10(153)(+M)=>C7H10(204)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.644e+01 4.377e-01 -1.969e-01 -1.772e-02 / CHEB/ 3.106e+01 8.538e-01 -2.809e-02 4.983e-03 / CHEB/ -5.983e-01 3.212e-01 1.685e-02 -2.990e-02 / CHEB/ -2.662e-01 6.768e-02 4.374e-02 -1.060e-02 / CHEB/ -1.049e-01 -2.858e-03 2.804e-02 7.615e-03 / CHEB/ -4.721e-02 2.161e-04 5.174e-03 7.888e-03 /

1354.

→

PDepNetwork #16

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.6	-5.6	+0.9	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-27.7	-5.3	+1.5	+4.5

H298 (kcal/mol) = 83.28
S298 (cal/mol*K) = 16.16
G298 (kcal/mol) = 78.46

! PDep reaction: PDepNetwork #16 ! Flux pairs: C7H10(153), C7H10(205); C7H10(153)(+M)=>C7H10(205)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.644e+01 4.377e-01 -1.969e-01 -1.772e-02 / CHEB/ 3.106e+01 8.538e-01 -2.809e-02 4.983e-03 / CHEB/ -5.983e-01 3.212e-01 1.685e-02 -2.990e-02 / CHEB/ -2.662e-01 6.768e-02 4.374e-02 -1.060e-02 / CHEB/ -1.049e-01 -2.858e-03 2.804e-02 7.615e-03 / CHEB/ -4.721e-02 2.161e-04 5.174e-03 7.888e-03 /

1355.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.1	+5.4	+5.1	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+5.6	+6.2	+6.1	+5.9

Chebyshev(coeffs=[[10.6212,1.45742,-0.241448,-0.0418431],[0.659492,0.363748,0.134538,-0.00115164],[-0.255092,0.148462,0.0699443,0.013252],[-0.145191,0.0391063,0.0251248,0.0111072],[-0.03257,-0.0245786,-0.00196495,0.00769683],[0.0021053,-0.0230401,-0.00800163,0.00139994]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -33.56
S298 (cal/mol*K) = -22.34
G298 (kcal/mol) = -26.90

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(46); H(25), C7H11(46); C7H10(146)+H(25)(+M)=>C7H11(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.062e+01 1.457e+00 -2.414e-01 -4.184e-02 / CHEB/ 6.595e-01 3.637e-01 1.345e-01 -1.152e-03 / CHEB/ -2.551e-01 1.485e-01 6.994e-02 1.325e-02 / CHEB/ -1.452e-01 3.911e-02 2.512e-02 1.111e-02 / CHEB/ -3.257e-02 -2.458e-02 -1.965e-03 7.697e-03 / CHEB/ 2.105e-03 -2.304e-02 -8.002e-03 1.400e-03 /

1356.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+1.8	+1.6	+1.4
log₁₀(k(10 bar)/[mole,m,s])	+2.2	+2.4	+2.4	+2.3

Chebyshev(coeffs=[[7.31855,0.928653,-0.458532,-0.07191],[0.198937,0.783101,0.276781,-0.00562068],[-0.19068,0.190696,0.0978644,0.0241074],[0.0102603,0.0138473,0.0164757,0.0116381],[0.00437949,-0.0307329,-0.00557295,0.00567372],[-0.0271728,-0.0132031,-0.00348572,0.00189386]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.31
S298 (cal/mol*K) = -47.33
G298 (kcal/mol) = -45.20

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(22); H(25), C7H11(22); C7H10(146)+H(25)(+M)=>C7H11(22)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.319e+00 9.287e-01 -4.585e-01 -7.191e-02 / CHEB/ 1.989e-01 7.831e-01 2.768e-01 -5.621e-03 / CHEB/ -1.907e-01 1.907e-01 9.786e-02 2.411e-02 / CHEB/ 1.026e-02 1.385e-02 1.648e-02 1.164e-02 / CHEB/ 4.379e-03 -3.073e-02 -5.573e-03 5.674e-03 / CHEB/ -2.717e-02 -1.320e-02 -3.486e-03 1.894e-03 /

1357.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.6	+6.7	+7.2	+7.5
log₁₀(k(10 bar)/[mole,m,s])	+5.2	+6.6	+7.2	+7.4

Chebyshev(coeffs=[[11.6045,-0.51397,-0.233028,-0.0435207],[1.59348,0.364827,0.138894,0.00219539],[0.208798,0.13218,0.0666928,0.01608],[0.0494055,0.029846,0.0213498,0.0111354],[-0.0108958,-0.0257944,-0.00424041,0.00623281],[-0.0126502,-0.0214407,-0.00855908,0.000206843]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -32.45
S298 (cal/mol*K) = 6.75
G298 (kcal/mol) = -34.46

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C5H7(210); H(25), C2H4(115); C7H10(146)+H(25)(+M)=>C5H7(210)+C2H4(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.160e+01 -5.140e-01 -2.330e-01 -4.352e-02 / CHEB/ 1.593e+00 3.648e-01 1.389e-01 2.195e-03 / CHEB/ 2.088e-01 1.322e-01 6.669e-02 1.608e-02 / CHEB/ 4.941e-02 2.985e-02 2.135e-02 1.114e-02 / CHEB/ -1.090e-02 -2.579e-02 -4.240e-03 6.233e-03 / CHEB/ -1.265e-02 -2.144e-02 -8.559e-03 2.068e-04 /

1358.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+3.0	+3.1	+3.0
log₁₀(k(10 bar)/[mole,m,s])	+2.9	+3.7	+4.0	+3.9

Chebyshev(coeffs=[[8.2183,1.23235,-0.363436,-0.083397],[0.7191,0.57422,0.242026,0.028624],[0.0949172,0.114078,0.0549896,0.0127124],[0.0369925,0.0356409,0.0199801,0.00661529],[-0.0725559,-0.01039,0.00596796,0.00996061],[-0.0772753,-0.0157301,-0.00251976,0.00436012]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -38.07
S298 (cal/mol*K) = -31.38
G298 (kcal/mol) = -28.72

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(224); H(25), C7H11(224); C7H10(146)+H(25)(+M)=>C7H11(224)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.218e+00 1.232e+00 -3.634e-01 -8.340e-02 / CHEB/ 7.191e-01 5.742e-01 2.420e-01 2.862e-02 / CHEB/ 9.492e-02 1.141e-01 5.499e-02 1.271e-02 / CHEB/ 3.699e-02 3.564e-02 1.998e-02 6.615e-03 / CHEB/ -7.256e-02 -1.039e-02 5.968e-03 9.961e-03 / CHEB/ -7.728e-02 -1.573e-02 -2.520e-03 4.360e-03 /

1359.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.5	+4.1	+4.3	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+3.1	+4.0	+4.3	+4.3

Chebyshev(coeffs=[[9.32902,-0.526959,-0.236701,-0.0426202],[0.997755,0.366112,0.137548,0.000678613],[0.0323744,0.139816,0.0683962,0.014918],[0.012436,0.0332202,0.0228476,0.0112254],[-0.0145793,-0.0259426,-0.00351377,0.0068737],[-0.0129515,-0.0223974,-0.00850781,0.000642046]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.03
S298 (cal/mol*K) = -35.50
G298 (kcal/mol) = -39.45

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(222); H(25), C7H11(222); C7H10(146)+H(25)(+M)=>C7H11(222)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.329e+00 -5.270e-01 -2.367e-01 -4.262e-02 / CHEB/ 9.978e-01 3.661e-01 1.375e-01 6.786e-04 / CHEB/ 3.237e-02 1.398e-01 6.840e-02 1.492e-02 / CHEB/ 1.244e-02 3.322e-02 2.285e-02 1.123e-02 / CHEB/ -1.458e-02 -2.594e-02 -3.514e-03 6.874e-03 / CHEB/ -1.295e-02 -2.240e-02 -8.508e-03 6.420e-04 /

1360.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.5	+2.2	+3.8	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-1.8	+2.0	+3.8	+4.7

Chebyshev(coeffs=[[5.16121,-0.406072,-0.202622,-0.0522373],[4.7483,0.299389,0.131108,0.0168236],[0.68539,0.0919143,0.0533069,0.0192251],[0.116312,0.024785,0.0164951,0.00848291],[-7.9392e-05,-0.0195041,-0.00573548,0.00257952],[-0.0114638,-0.0164844,-0.00775654,-0.001238]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.21
S298 (cal/mol*K) = -20.62
G298 (kcal/mol) = -30.06

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(225); H(25), C7H11(225); C7H10(146)+H(25)(+M)=>C7H11(225)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.161e+00 -4.061e-01 -2.026e-01 -5.224e-02 / CHEB/ 4.748e+00 2.994e-01 1.311e-01 1.682e-02 / CHEB/ 6.854e-01 9.191e-02 5.331e-02 1.923e-02 / CHEB/ 1.163e-01 2.479e-02 1.650e-02 8.483e-03 / CHEB/ -7.939e-05 -1.950e-02 -5.735e-03 2.580e-03 / CHEB/ -1.146e-02 -1.648e-02 -7.757e-03 -1.238e-03 /

1361.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+3.6	+4.7	+5.4
log₁₀(k(10 bar)/[mole,m,s])	+0.8	+3.5	+4.7	+5.4

Chebyshev(coeffs=[[7.57491,-0.455789,-0.216342,-0.0476533],[3.16756,0.346499,0.140813,0.00963229],[0.557634,0.102015,0.0583452,0.0196037],[0.108797,0.0209309,0.016216,0.00982731],[0.000860634,-0.0238788,-0.00634845,0.00365613],[-0.00994038,-0.0183737,-0.00853245,-0.00115561]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -57.60
S298 (cal/mol*K) = -25.95
G298 (kcal/mol) = -49.86

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(226); H(25), C7H11(226); C7H10(146)+H(25)(+M)=>C7H11(226)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.575e+00 -4.558e-01 -2.163e-01 -4.765e-02 / CHEB/ 3.168e+00 3.465e-01 1.408e-01 9.632e-03 / CHEB/ 5.576e-01 1.020e-01 5.835e-02 1.960e-02 / CHEB/ 1.088e-01 2.093e-02 1.622e-02 9.827e-03 / CHEB/ 8.606e-04 -2.388e-02 -6.348e-03 3.656e-03 / CHEB/ -9.940e-03 -1.837e-02 -8.532e-03 -1.156e-03 /

1362.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+3.7	+3.7	+3.4
log₁₀(k(10 bar)/[mole,m,s])	+2.4	+4.2	+4.5	+4.4

Chebyshev(coeffs=[[8.1097,0.687636,-0.487649,-0.0509675],[1.47783,0.919683,0.232625,-0.0447839],[0.0853357,0.221206,0.13483,0.0289281],[-0.116539,0.0953889,0.0472324,0.0172195],[-0.121532,0.00381668,0.0105414,0.00960697],[-0.0570269,-0.0279907,-0.00434102,0.00496949]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.66
S298 (cal/mol*K) = -23.94
G298 (kcal/mol) = -18.52

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(227); H(25), C7H11(227); C7H10(146)+H(25)(+M)=>C7H11(227)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.110e+00 6.876e-01 -4.876e-01 -5.097e-02 / CHEB/ 1.478e+00 9.197e-01 2.326e-01 -4.478e-02 / CHEB/ 8.534e-02 2.212e-01 1.348e-01 2.893e-02 / CHEB/ -1.165e-01 9.539e-02 4.723e-02 1.722e-02 / CHEB/ -1.215e-01 3.817e-03 1.054e-02 9.607e-03 / CHEB/ -5.703e-02 -2.799e-02 -4.341e-03 4.969e-03 /

1363.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+3.9	+4.5	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+3.8	+4.5	+4.8

Chebyshev(coeffs=[[8.61406,-0.497478,-0.228207,-0.0445651],[1.89773,0.3628,0.140518,0.00421291],[0.288294,0.122708,0.0644154,0.0174328],[0.0647757,0.0258202,0.0194318,0.0109066],[-0.00761825,-0.0256732,-0.00517105,0.00538795],[-0.0126742,-0.0204245,-0.00866194,-0.000335892]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.86
S298 (cal/mol*K) = -25.04
G298 (kcal/mol) = -27.39

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(228); H(25), C7H11(228); C7H10(146)+H(25)(+M)=>C7H11(228)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.614e+00 -4.975e-01 -2.282e-01 -4.457e-02 / CHEB/ 1.898e+00 3.628e-01 1.405e-01 4.213e-03 / CHEB/ 2.883e-01 1.227e-01 6.442e-02 1.743e-02 / CHEB/ 6.478e-02 2.582e-02 1.943e-02 1.091e-02 / CHEB/ -7.618e-03 -2.567e-02 -5.171e-03 5.388e-03 / CHEB/ -1.267e-02 -2.042e-02 -8.662e-03 -3.359e-04 /

1364.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.4	+3.5	+4.4	+4.8
log₁₀(k(10 bar)/[mole,m,s])	+0.9	+3.2	+4.3	+4.8

Chebyshev(coeffs=[[7.66755,-0.599963,-0.2561,-0.0430875],[2.58508,0.328151,0.100538,-0.0108304],[0.488315,0.164183,0.075031,0.00844002],[0.0906533,0.0705095,0.0394074,0.0124774],[-0.0239273,-0.0015563,0.00762649,0.00971483],[-0.0331321,-0.0151932,-0.00266794,0.00394732]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.86
S298 (cal/mol*K) = -25.04
G298 (kcal/mol) = -27.39

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(229); H(25), C7H11(229); C7H10(146)+H(25)(+M)=>C7H11(229)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.668e+00 -6.000e-01 -2.561e-01 -4.309e-02 / CHEB/ 2.585e+00 3.282e-01 1.005e-01 -1.083e-02 / CHEB/ 4.883e-01 1.642e-01 7.503e-02 8.440e-03 / CHEB/ 9.065e-02 7.051e-02 3.941e-02 1.248e-02 / CHEB/ -2.393e-02 -1.556e-03 7.626e-03 9.715e-03 / CHEB/ -3.313e-02 -1.519e-02 -2.668e-03 3.947e-03 /

1365.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.9	-0.1	+2.0	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-5.2	-0.2	+2.0	+3.2

Chebyshev(coeffs=[[1.96758,-0.348815,-0.183496,-0.0549726],[6.29348,0.261846,0.123906,0.023877],[0.794985,0.080867,0.0481983,0.0190457],[0.159546,0.0190755,0.0134859,0.0075835],[0.0153743,-0.0202901,-0.00728479,0.00123212],[-0.00568381,-0.0155695,-0.00794122,-0.0019368]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.46
S298 (cal/mol*K) = -24.36
G298 (kcal/mol) = -16.20

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(230); H(25), C7H11(230); C7H10(146)+H(25)(+M)=>C7H11(230)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.968e+00 -3.488e-01 -1.835e-01 -5.497e-02 / CHEB/ 6.293e+00 2.618e-01 1.239e-01 2.388e-02 / CHEB/ 7.950e-01 8.087e-02 4.820e-02 1.905e-02 / CHEB/ 1.595e-01 1.908e-02 1.349e-02 7.584e-03 / CHEB/ 1.537e-02 -2.029e-02 -7.285e-03 1.232e-03 / CHEB/ -5.684e-03 -1.557e-02 -7.941e-03 -1.937e-03 /

1366.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	+1.9	+4.6	+6.0
log₁₀(k(10 bar)/[mole,m,s])	-6.0	+1.8	+4.6	+6.0

Chebyshev(coeffs=[[0.865671,-0.21692,-0.129417,-0.0532527],[10.818,0.132857,0.0756034,0.0275166],[0.286163,0.0704383,0.0414518,0.0164491],[0.0694167,0.021923,0.0139253,0.00656895],[-0.00913979,-0.0147947,-0.00659081,-0.000555814],[-0.0160631,-0.0129748,-0.00697523,-0.0021147]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.63
S298 (cal/mol*K) = 16.19
G298 (kcal/mol) = 27.80

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C5H7(210); H(25), C2H4(72); C7H10(146)+H(25)(+M)=>C5H7(210)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.657e-01 -2.169e-01 -1.294e-01 -5.325e-02 / CHEB/ 1.082e+01 1.329e-01 7.560e-02 2.752e-02 / CHEB/ 2.862e-01 7.044e-02 4.145e-02 1.645e-02 / CHEB/ 6.942e-02 2.192e-02 1.393e-02 6.569e-03 / CHEB/ -9.140e-03 -1.479e-02 -6.591e-03 -5.558e-04 / CHEB/ -1.606e-02 -1.297e-02 -6.975e-03 -2.115e-03 /

1367.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.4	-5.0	-0.3	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-19.5	-5.1	-0.3	+2.0

Chebyshev(coeffs=[[-12.3238,-0.106943,-0.0695014,-0.0341678],[20.3981,0.053116,0.0340049,0.0162252],[-0.0332484,0.0420351,0.0267466,0.0126059],[-0.0013175,0.0167423,0.0108153,0.00525794],[-0.0175985,-0.00817083,-0.00460912,-0.00160595],[-0.0160013,-0.00857342,-0.0051746,-0.00216949]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.77
S298 (cal/mol*K) = 19.16
G298 (kcal/mol) = 61.06

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C4H5(99); H(25), C3H6(231); C7H10(146)+H(25)(+M)=>C3H6(231)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.232e+01 -1.069e-01 -6.950e-02 -3.417e-02 / CHEB/ 2.040e+01 5.312e-02 3.400e-02 1.623e-02 / CHEB/ -3.325e-02 4.204e-02 2.675e-02 1.261e-02 / CHEB/ -1.318e-03 1.674e-02 1.082e-02 5.258e-03 / CHEB/ -1.760e-02 -8.171e-03 -4.609e-03 -1.606e-03 / CHEB/ -1.600e-02 -8.573e-03 -5.175e-03 -2.169e-03 /

1368.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-3.0	+0.7	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-3.1	+0.7	+2.8

Chebyshev(coeffs=[[-6.158,-0.169373,-0.105012,-0.0469911],[14.4165,0.0965531,0.0579876,0.0241262],[0.268185,0.0597079,0.0362195,0.0154185],[0.145183,0.0204098,0.0129503,0.00609056],[0.0817368,-0.0123978,-0.00613812,-0.00126701],[0.0125185,-0.0114295,-0.00642797,-0.00224237]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.50
S298 (cal/mol*K) = 4.88
G298 (kcal/mol) = 42.05

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(18); H(25), H(25); C7H10(146)+H(25)(+M)=>C7H10(18)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.158e+00 -1.694e-01 -1.050e-01 -4.699e-02 / CHEB/ 1.442e+01 9.655e-02 5.799e-02 2.413e-02 / CHEB/ 2.682e-01 5.971e-02 3.622e-02 1.542e-02 / CHEB/ 1.452e-01 2.041e-02 1.295e-02 6.091e-03 / CHEB/ 8.174e-02 -1.240e-02 -6.138e-03 -1.267e-03 / CHEB/ 1.252e-02 -1.143e-02 -6.428e-03 -2.242e-03 /

1369.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-3.1	+0.6	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-13.5	-3.1	+0.6	+2.4

Chebyshev(coeffs=[[-6.22776,-0.176647,-0.108914,-0.0481687],[14.1967,0.101458,0.0604593,0.0246992],[0.400043,0.0614271,0.0370731,0.0156014],[0.0798482,0.0209644,0.0132755,0.00621969],[-0.0328729,-0.0125105,-0.00607218,-0.00111493],[-0.022458,-0.0116373,-0.00649136,-0.00221045]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.93
S298 (cal/mol*K) = 1.04
G298 (kcal/mol) = 42.62

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(89); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.228e+00 -1.766e-01 -1.089e-01 -4.817e-02 / CHEB/ 1.420e+01 1.015e-01 6.046e-02 2.470e-02 / CHEB/ 4.000e-01 6.143e-02 3.707e-02 1.560e-02 / CHEB/ 7.985e-02 2.096e-02 1.328e-02 6.220e-03 / CHEB/ -3.287e-02 -1.251e-02 -6.072e-03 -1.115e-03 / CHEB/ -2.246e-02 -1.164e-02 -6.491e-03 -2.210e-03 /

1370.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.1	-8.4	-2.9	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-25.2	-8.5	-2.9	-0.1

Chebyshev(coeffs=[[-17.7878,-0.153437,-0.100545,-0.050201],[23.5999,0.0833764,0.0536402,0.0258353],[0.0508663,0.0428765,0.0283181,0.0143479],[0.00980721,0.0297031,0.0189882,0.00903616],[-0.00990086,-0.00253116,-0.00112193,-5.71771e-05],[-0.0131957,-0.0106861,-0.00658334,-0.00289201]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 75.44
S298 (cal/mol*K) = 6.89
G298 (kcal/mol) = 73.39

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(95); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.779e+01 -1.534e-01 -1.005e-01 -5.020e-02 / CHEB/ 2.360e+01 8.338e-02 5.364e-02 2.584e-02 / CHEB/ 5.087e-02 4.288e-02 2.832e-02 1.435e-02 / CHEB/ 9.807e-03 2.970e-02 1.899e-02 9.036e-03 / CHEB/ -9.901e-03 -2.531e-03 -1.122e-03 -5.718e-05 / CHEB/ -1.320e-02 -1.069e-02 -6.583e-03 -2.892e-03 /

1371.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.0	-7.0	-1.0	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-25.1	-7.0	-1.0	+2.0

Chebyshev(coeffs=[[-17.6345,-0.0772728,-0.0512713,-0.0261987],[25.6716,0.0355005,0.0233732,0.0117704],[-0.0450787,0.0322115,0.0209886,0.0103649],[-0.00431197,0.0134821,0.00885676,0.00444344],[-0.0140327,-0.00623622,-0.00374858,-0.00155193],[-0.0127281,-0.00683817,-0.00428932,-0.00196024]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.60
S298 (cal/mol*K) = 22.90
G298 (kcal/mol) = 76.77

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C5H8(232); H(25), C2H3(100); C7H10(146)+H(25)(+M)=>C5H8(232)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.763e+01 -7.727e-02 -5.127e-02 -2.620e-02 / CHEB/ 2.567e+01 3.550e-02 2.337e-02 1.177e-02 / CHEB/ -4.508e-02 3.221e-02 2.099e-02 1.036e-02 / CHEB/ -4.312e-03 1.348e-02 8.857e-03 4.443e-03 / CHEB/ -1.403e-02 -6.236e-03 -3.749e-03 -1.552e-03 / CHEB/ -1.273e-02 -6.838e-03 -4.289e-03 -1.960e-03 /

1372.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.4	-6.4	-1.2	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-21.5	-6.4	-1.2	+1.4

Chebyshev(coeffs=[[-14.0765,-0.108933,-0.0706936,-0.0346595],[21.205,0.0543553,0.0347315,0.0165087],[0.212665,0.0426641,0.0271032,0.0127326],[0.0709314,0.0169273,0.010924,0.00530084],[0.00603361,-0.00829956,-0.00466161,-0.00160307],[-0.00779611,-0.00867932,-0.00522526,-0.00217763]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.24
S298 (cal/mol*K) = 5.79
G298 (kcal/mol) = 64.52

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(96); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.408e+01 -1.089e-01 -7.069e-02 -3.466e-02 / CHEB/ 2.120e+01 5.436e-02 3.473e-02 1.651e-02 / CHEB/ 2.127e-01 4.266e-02 2.710e-02 1.273e-02 / CHEB/ 7.093e-02 1.693e-02 1.092e-02 5.301e-03 / CHEB/ 6.034e-03 -8.300e-03 -4.662e-03 -1.603e-03 / CHEB/ -7.796e-03 -8.679e-03 -5.225e-03 -2.178e-03 /

1373.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.4	-6.4	-1.2	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-21.5	-6.4	-1.2	+1.4

H298 (kcal/mol) = 66.24
S298 (cal/mol*K) = 5.79
G298 (kcal/mol) = 64.52

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(97); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.408e+01 -1.089e-01 -7.069e-02 -3.466e-02 / CHEB/ 2.120e+01 5.436e-02 3.473e-02 1.651e-02 / CHEB/ 2.127e-01 4.266e-02 2.710e-02 1.273e-02 / CHEB/ 7.093e-02 1.693e-02 1.092e-02 5.301e-03 / CHEB/ 6.034e-03 -8.300e-03 -4.662e-03 -1.603e-03 / CHEB/ -7.796e-03 -8.679e-03 -5.225e-03 -2.178e-03 /

1374.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.8	-8.6	-2.7	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-25.9	-8.7	-2.8	+0.2

Chebyshev(coeffs=[[-18.3426,-0.0890476,-0.0586074,-0.0295045],[24.3453,0.0423257,0.0275625,0.0135952],[0.167834,0.036193,0.0233639,0.0113318],[0.0584639,0.014888,0.0097115,0.00480859],[0.00494947,-0.00701009,-0.00410999,-0.00159706],[-0.0068965,-0.00756325,-0.00467198,-0.00206529]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.64
S298 (cal/mol*K) = 6.47
G298 (kcal/mol) = 75.72

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(37); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.834e+01 -8.905e-02 -5.861e-02 -2.950e-02 / CHEB/ 2.435e+01 4.233e-02 2.756e-02 1.360e-02 / CHEB/ 1.678e-01 3.619e-02 2.336e-02 1.133e-02 / CHEB/ 5.846e-02 1.489e-02 9.711e-03 4.809e-03 / CHEB/ 4.949e-03 -7.010e-03 -4.110e-03 -1.597e-03 / CHEB/ -6.896e-03 -7.563e-03 -4.672e-03 -2.065e-03 /

1375.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.7	+3.9	+4.4	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+2.2	+3.8	+4.4	+4.7

Chebyshev(coeffs=[[8.68619,-0.503753,-0.230294,-0.0443976],[1.74661,0.362023,0.139246,0.0033099],[0.219482,0.125877,0.0650361,0.0168042],[0.0410257,0.0277199,0.020253,0.0109337],[-0.0153341,-0.0253568,-0.00466701,0.00572716],[-0.0151455,-0.0206898,-0.00852804,-7.35894e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.78
S298 (cal/mol*K) = -28.23
G298 (kcal/mol) = -36.36

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(233); H(25), C7H11(233); C7H10(146)+H(25)(+M)=>C7H11(233)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.686e+00 -5.038e-01 -2.303e-01 -4.440e-02 / CHEB/ 1.747e+00 3.620e-01 1.392e-01 3.310e-03 / CHEB/ 2.195e-01 1.259e-01 6.504e-02 1.680e-02 / CHEB/ 4.103e-02 2.772e-02 2.025e-02 1.093e-02 / CHEB/ -1.533e-02 -2.536e-02 -4.667e-03 5.727e-03 / CHEB/ -1.515e-02 -2.069e-02 -8.528e-03 -7.359e-05 /

1376.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+1.1	+3.0	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+1.0	+3.0	+4.1

Chebyshev(coeffs=[[3.21325,-0.347897,-0.18384,-0.0557132],[6.10186,0.253251,0.120631,0.0238425],[0.635419,0.0852085,0.0494611,0.0185632],[0.116255,0.0208062,0.0144086,0.00781253],[-9.44888e-05,-0.0200127,-0.00694502,0.00151355],[-0.0111791,-0.0158064,-0.00789766,-0.00176401]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.50
S298 (cal/mol*K) = -23.17
G298 (kcal/mol) = -29.59

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(234); H(25), C7H11(234); C7H10(146)+H(25)(+M)=>C7H11(234)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.213e+00 -3.479e-01 -1.838e-01 -5.571e-02 / CHEB/ 6.102e+00 2.533e-01 1.206e-01 2.384e-02 / CHEB/ 6.354e-01 8.521e-02 4.946e-02 1.856e-02 / CHEB/ 1.163e-01 2.081e-02 1.441e-02 7.813e-03 / CHEB/ -9.449e-05 -2.001e-02 -6.945e-03 1.514e-03 / CHEB/ -1.118e-02 -1.581e-02 -7.898e-03 -1.764e-03 /

1377.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.7	+3.0	+4.0	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+0.3	+2.9	+4.0	+4.5

Chebyshev(coeffs=[[7.02995,-0.458483,-0.217711,-0.0479826],[2.99917,0.342884,0.139115,0.00920136],[0.452131,0.104234,0.0587766,0.0191471],[0.0670047,0.0230179,0.0171033,0.00987081],[-0.0140864,-0.0233082,-0.00583452,0.00395578],[-0.0153849,-0.0185345,-0.00839659,-0.000923036]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.36
S298 (cal/mol*K) = -27.14
G298 (kcal/mol) = -13.27

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(235); H(25), C7H11(235); C7H10(146)+H(25)(+M)=>C7H11(235)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.030e+00 -4.585e-01 -2.177e-01 -4.798e-02 / CHEB/ 2.999e+00 3.429e-01 1.391e-01 9.201e-03 / CHEB/ 4.521e-01 1.042e-01 5.878e-02 1.915e-02 / CHEB/ 6.700e-02 2.302e-02 1.710e-02 9.871e-03 / CHEB/ -1.409e-02 -2.331e-02 -5.835e-03 3.956e-03 / CHEB/ -1.538e-02 -1.853e-02 -8.397e-03 -9.230e-04 /

1378.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.8	-6.6	-1.2	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-22.9	-6.7	-1.2	+1.6

Chebyshev(coeffs=[[-15.4701,-0.0952404,-0.0624121,-0.0311674],[22.9228,0.0459944,0.0297768,0.014523],[0.0987688,0.0382462,0.024567,0.0117995],[0.0380111,0.0155695,0.0101203,0.00497794],[-0.00276946,-0.00741278,-0.00428866,-0.00160761],[-0.0100415,-0.0079248,-0.00485595,-0.00210818]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 64.93
S298 (cal/mol*K) = 14.88
G298 (kcal/mol) = 60.50

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C6H9(236); H(25), CH2(T)(82); C7H10(146)+H(25)(+M)=>C6H9(236)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.547e+01 -9.524e-02 -6.241e-02 -3.117e-02 / CHEB/ 2.292e+01 4.599e-02 2.978e-02 1.452e-02 / CHEB/ 9.877e-02 3.825e-02 2.457e-02 1.180e-02 / CHEB/ 3.801e-02 1.557e-02 1.012e-02 4.978e-03 / CHEB/ -2.769e-03 -7.413e-03 -4.289e-03 -1.608e-03 / CHEB/ -1.004e-02 -7.925e-03 -4.856e-03 -2.108e-03 /

1379.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.1	-10.1	-4.2	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-27.2	-10.1	-4.2	-1.2

Chebyshev(coeffs=[[-19.6105,-0.0900464,-0.0592141,-0.0297628],[24.1126,0.043597,0.028353,0.0139501],[0.198255,0.0363833,0.0234787,0.0113798],[0.0716791,0.0147695,0.00963614,0.00477329],[0.0134332,-0.00719651,-0.00421831,-0.00163832],[-0.00467239,-0.00761933,-0.00470618,-0.00208007]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.64
S298 (cal/mol*K) = 3.85
G298 (kcal/mol) = 75.50

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(237); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(237)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.961e+01 -9.005e-02 -5.921e-02 -2.976e-02 / CHEB/ 2.411e+01 4.360e-02 2.835e-02 1.395e-02 / CHEB/ 1.983e-01 3.638e-02 2.348e-02 1.138e-02 / CHEB/ 7.168e-02 1.477e-02 9.636e-03 4.773e-03 / CHEB/ 1.343e-02 -7.197e-03 -4.218e-03 -1.638e-03 / CHEB/ -4.672e-03 -7.619e-03 -4.706e-03 -2.080e-03 /

1380.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	-1.5	-0.6	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-4.2	-1.7	-0.7	-0.1

Chebyshev(coeffs=[[2.58612,-0.881499,-0.397094,-0.0763716],[2.77444,0.780907,0.304999,0.0186771],[0.443525,0.102931,0.0727894,0.0321365],[0.0780819,-0.0198574,-0.00148998,0.00736766],[-0.00873277,-0.0307542,-0.0107858,0.00132922],[-0.0107004,-0.0110109,-0.00463909,4.90829e-06]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.08
S298 (cal/mol*K) = -37.78
G298 (kcal/mol) = -4.82

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(1); H(25), H(25); C7H10(146)+H(25)(+M)=>C7H10(1)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.586e+00 -8.815e-01 -3.971e-01 -7.637e-02 / CHEB/ 2.774e+00 7.809e-01 3.050e-01 1.868e-02 / CHEB/ 4.435e-01 1.029e-01 7.279e-02 3.214e-02 / CHEB/ 7.808e-02 -1.986e-02 -1.490e-03 7.368e-03 / CHEB/ -8.733e-03 -3.075e-02 -1.079e-02 1.329e-03 / CHEB/ -1.070e-02 -1.101e-02 -4.639e-03 4.908e-06 /

1381.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.3	-2.9	-0.6	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-3.0	-0.6	+0.6

Chebyshev(coeffs=[[-1.55399,-0.466081,-0.26013,-0.0916945],[7.38274,0.381784,0.202391,0.0608426],[0.656675,0.0731057,0.042639,0.016733],[0.151818,0.00381558,0.00379008,0.00289164],[0.00785951,-0.0189699,-0.00715382,0.000675496],[-0.0126089,-0.0121083,-0.00547127,-0.00059261]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.76
S298 (cal/mol*K) = -17.14
G298 (kcal/mol) = 17.86

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(218); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(218)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.554e+00 -4.661e-01 -2.601e-01 -9.169e-02 / CHEB/ 7.383e+00 3.818e-01 2.024e-01 6.084e-02 / CHEB/ 6.567e-01 7.311e-02 4.264e-02 1.673e-02 / CHEB/ 1.518e-01 3.816e-03 3.790e-03 2.892e-03 / CHEB/ 7.860e-03 -1.897e-02 -7.154e-03 6.755e-04 / CHEB/ -1.261e-02 -1.211e-02 -5.471e-03 -5.926e-04 /

1382.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	-2.0	-2.0	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-3.3	-1.3	-1.1	-1.4

Chebyshev(coeffs=[[2.2107,1.00976,-0.44978,-0.0918519],[1.75551,0.794066,0.305757,0.0168339],[0.0340534,0.125338,0.0779015,0.0282307],[-0.209166,0.000386395,0.0102186,0.0114167],[-0.166421,-0.0243547,-0.00534422,0.00435944],[-0.0581024,-0.0103401,-0.00351322,0.000896969]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -46.46
S298 (cal/mol*K) = -37.24
G298 (kcal/mol) = -35.36

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(40); H(25), C7H11(40); C7H10(146)+H(25)(+M)=>C7H11(40)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.211e+00 1.010e+00 -4.498e-01 -9.185e-02 / CHEB/ 1.756e+00 7.941e-01 3.058e-01 1.683e-02 / CHEB/ 3.405e-02 1.253e-01 7.790e-02 2.823e-02 / CHEB/ -2.092e-01 3.864e-04 1.022e-02 1.142e-02 / CHEB/ -1.664e-01 -2.435e-02 -5.344e-03 4.359e-03 / CHEB/ -5.810e-02 -1.034e-02 -3.513e-03 8.970e-04 /

1383.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	-2.2	-0.1	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-2.3	-0.2	+1.0

Chebyshev(coeffs=[[-0.166025,-0.56069,-0.295934,-0.0914917],[6.31493,0.495098,0.2405,0.0558193],[0.716181,0.0508079,0.0397143,0.0216232],[0.12795,0.00798518,0.00303323,0.00133589],[0.00718961,-0.0237964,-0.00789844,0.00131229],[-0.0154352,-0.0101667,-0.00487799,-0.000508283]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.91
S298 (cal/mol*K) = -40.33
G298 (kcal/mol) = -23.89

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(219); H(25), C7H11(219); C7H10(146)+H(25)(+M)=>C7H11(219)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.660e-01 -5.607e-01 -2.959e-01 -9.149e-02 / CHEB/ 6.315e+00 4.951e-01 2.405e-01 5.582e-02 / CHEB/ 7.162e-01 5.081e-02 3.971e-02 2.162e-02 / CHEB/ 1.280e-01 7.985e-03 3.033e-03 1.336e-03 / CHEB/ 7.190e-03 -2.380e-02 -7.898e-03 1.312e-03 / CHEB/ -1.544e-02 -1.017e-02 -4.878e-03 -5.083e-04 /

1384.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+1.2	+1.8	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-1.2	+1.0	+1.8	+2.1

Chebyshev(coeffs=[[5.47009,-0.906081,-0.405479,-0.0761365],[2.35503,0.784206,0.302191,0.0151521],[0.296591,0.114315,0.0765347,0.0314276],[0.0267234,-0.0169861,0.000481659,0.00812027],[-0.0268337,-0.0315224,-0.0104765,0.00187134],[-0.0166566,-0.0113556,-0.00457146,0.000231442]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -46.46
S298 (cal/mol*K) = -38.62
G298 (kcal/mol) = -34.95

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(220); H(25), C7H11(220); C7H10(146)+H(25)(+M)=>C7H11(220)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.470e+00 -9.061e-01 -4.055e-01 -7.614e-02 / CHEB/ 2.355e+00 7.842e-01 3.022e-01 1.515e-02 / CHEB/ 2.966e-01 1.143e-01 7.653e-02 3.143e-02 / CHEB/ 2.672e-02 -1.699e-02 4.817e-04 8.120e-03 / CHEB/ -2.683e-02 -3.152e-02 -1.048e-02 1.871e-03 / CHEB/ -1.666e-02 -1.136e-02 -4.571e-03 2.314e-04 /

1385.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.8	-6.7	-3.4	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-16.0	-6.8	-3.4	-1.7

Chebyshev(coeffs=[[-8.89247,-0.22881,-0.140841,-0.0621631],[12.7446,0.139142,0.0837007,0.0350539],[0.372924,0.0696327,0.040795,0.0160065],[0.128441,0.0186755,0.0114976,0.00508077],[0.00114385,-0.0145111,-0.00674048,-0.000908367],[-0.0163588,-0.0120071,-0.0063261,-0.00177514]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.14
S298 (cal/mol*K) = -13.63
G298 (kcal/mol) = 43.21

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(28); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.892e+00 -2.288e-01 -1.408e-01 -6.216e-02 / CHEB/ 1.274e+01 1.391e-01 8.370e-02 3.505e-02 / CHEB/ 3.729e-01 6.963e-02 4.079e-02 1.601e-02 / CHEB/ 1.284e-01 1.868e-02 1.150e-02 5.081e-03 / CHEB/ 1.144e-03 -1.451e-02 -6.740e-03 -9.084e-04 / CHEB/ -1.636e-02 -1.201e-02 -6.326e-03 -1.775e-03 /

1386.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.2	-6.0	-3.2	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-6.1	-3.2	-1.7

Chebyshev(coeffs=[[-6.31793,-0.328997,-0.194792,-0.0790586],[9.90504,0.235568,0.13526,0.0507787],[0.577031,0.0767336,0.0433967,0.0156342],[0.14941,0.0131479,0.00835496,0.00392747],[-0.00574763,-0.01714,-0.00703877,5.36188e-05],[-0.0175522,-0.0124108,-0.00607027,-0.00121741]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.29
S298 (cal/mol*K) = -23.72
G298 (kcal/mol) = 33.36

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(33); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.318e+00 -3.290e-01 -1.948e-01 -7.906e-02 / CHEB/ 9.905e+00 2.356e-01 1.353e-01 5.078e-02 / CHEB/ 5.770e-01 7.673e-02 4.340e-02 1.563e-02 / CHEB/ 1.494e-01 1.315e-02 8.355e-03 3.927e-03 / CHEB/ -5.748e-03 -1.714e-02 -7.039e-03 5.362e-05 / CHEB/ -1.755e-02 -1.241e-02 -6.070e-03 -1.217e-03 /

1387.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.0	-8.7	-4.6	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-20.2	-8.8	-4.6	-2.5

Chebyshev(coeffs=[[-12.9264,-0.17494,-0.11026,-0.0510708],[15.9706,0.0950337,0.058729,0.0260732],[0.357366,0.059968,0.0362617,0.0153214],[0.135226,0.0194487,0.0121145,0.00547988],[0.00890928,-0.0120144,-0.00605749,-0.00137617],[-0.0127698,-0.0110415,-0.00613532,-0.00206015]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.69
S298 (cal/mol*K) = -16.72
G298 (kcal/mol) = 54.68

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(32); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.293e+01 -1.749e-01 -1.103e-01 -5.107e-02 / CHEB/ 1.597e+01 9.503e-02 5.873e-02 2.607e-02 / CHEB/ 3.574e-01 5.997e-02 3.626e-02 1.532e-02 / CHEB/ 1.352e-01 1.945e-02 1.211e-02 5.480e-03 / CHEB/ 8.909e-03 -1.201e-02 -6.057e-03 -1.376e-03 / CHEB/ -1.277e-02 -1.104e-02 -6.135e-03 -2.060e-03 /

1388.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.8	-9.4	-5.2	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-20.9	-9.5	-5.3	-3.1

Chebyshev(coeffs=[[-13.649,-0.175549,-0.110611,-0.0512035],[16.0229,0.0955856,0.0590477,0.0261937],[0.380972,0.0600365,0.0362912,0.0153224],[0.140856,0.0194073,0.0120893,0.00546919],[0.0104982,-0.0120183,-0.00605222,-0.00136681],[-0.011962,-0.0110426,-0.00613338,-0.00205688]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.69
S298 (cal/mol*K) = -18.10
G298 (kcal/mol) = 55.09

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(34); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.365e+01 -1.755e-01 -1.106e-01 -5.120e-02 / CHEB/ 1.602e+01 9.559e-02 5.905e-02 2.619e-02 / CHEB/ 3.810e-01 6.004e-02 3.629e-02 1.532e-02 / CHEB/ 1.409e-01 1.941e-02 1.209e-02 5.469e-03 / CHEB/ 1.050e-02 -1.202e-02 -6.052e-03 -1.367e-03 / CHEB/ -1.196e-02 -1.104e-02 -6.133e-03 -2.057e-03 /

1389.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	-2.7	-1.4	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-6.0	-2.8	-1.5	-0.8

Chebyshev(coeffs=[[0.856097,-0.776356,-0.367592,-0.083155],[3.75142,0.703043,0.293944,0.0324655],[0.572162,0.0684422,0.0565144,0.0303132],[0.075522,-0.0134836,-0.00252601,0.00412258],[-0.01919,-0.0241,-0.00884722,0.000741293],[-0.0167727,-0.0104691,-0.00424788,0.00011057]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.55
S298 (cal/mol*K) = -38.93
G298 (kcal/mol) = -14.95

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(221); H(25), C7H11(221); C7H10(146)+H(25)(+M)=>C7H11(221)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.561e-01 -7.764e-01 -3.676e-01 -8.316e-02 / CHEB/ 3.751e+00 7.030e-01 2.939e-01 3.247e-02 / CHEB/ 5.722e-01 6.844e-02 5.651e-02 3.031e-02 / CHEB/ 7.552e-02 -1.348e-02 -2.526e-03 4.123e-03 / CHEB/ -1.919e-02 -2.410e-02 -8.847e-03 7.413e-04 / CHEB/ -1.677e-02 -1.047e-02 -4.248e-03 1.106e-04 /

1392.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.7	+1.4	+2.8	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+1.1	+2.7	+3.4

Chebyshev(coeffs=[[3.60733,-1.08631,-0.186335,0.0121743],[5.57096,0.846821,0.0154148,-0.0518584],[0.216138,0.234936,0.0965499,-0.0105818],[0.0358859,0.0291028,0.0466486,0.0148364],[-0.03282,-0.0444157,0.011267,0.0152795],[-0.0248899,-0.0377838,-0.00629345,0.00724197]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.62
S298 (cal/mol*K) = -38.13
G298 (kcal/mol) = 5.74

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(224); C2H4(115), C7H11(224); C5H7(210)+C2H4(115)(+M)=>C7H11(224)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.607e+00 -1.086e+00 -1.863e-01 1.217e-02 / CHEB/ 5.571e+00 8.468e-01 1.541e-02 -5.186e-02 / CHEB/ 2.161e-01 2.349e-01 9.655e-02 -1.058e-02 / CHEB/ 3.589e-02 2.910e-02 4.665e-02 1.484e-02 / CHEB/ -3.282e-02 -4.442e-02 1.127e-02 1.528e-02 / CHEB/ -2.489e-02 -3.778e-02 -6.293e-03 7.242e-03 /

1393.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	+0.6	+1.6	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-3.5	+0.2	+1.5	+2.0

Chebyshev(coeffs=[[3.60905,-1.20792,-0.149348,0.00964688],[4.31163,0.906523,-0.0291542,-0.0420712],[0.0930363,0.300597,0.0820391,-0.018252],[0.0447821,0.0350747,0.0577019,0.0100728],[-0.0256531,-0.0512388,0.0204856,0.0152822],[-0.023056,-0.0433479,-0.00370118,0.00920312]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.58
S298 (cal/mol*K) = -42.24
G298 (kcal/mol) = -4.99

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(222); C2H4(115), C7H11(222); C5H7(210)+C2H4(115)(+M)=>C7H11(222)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.609e+00 -1.208e+00 -1.493e-01 9.647e-03 / CHEB/ 4.312e+00 9.065e-01 -2.915e-02 -4.207e-02 / CHEB/ 9.304e-02 3.006e-01 8.204e-02 -1.825e-02 / CHEB/ 4.478e-02 3.507e-02 5.770e-02 1.007e-02 / CHEB/ -2.565e-02 -5.124e-02 2.049e-02 1.528e-02 / CHEB/ -2.306e-02 -4.335e-02 -3.701e-03 9.203e-03 /

1394.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-1.4	+1.7	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-1.6	+1.6	+3.2

Chebyshev(coeffs=[[-3.22903,-0.510372,-0.233042,-0.0444395],[12.0261,0.351685,0.136693,0.00410519],[0.363494,0.141291,0.0684995,0.0148702],[0.0845948,0.038915,0.0236782,0.0101661],[-0.00555511,-0.0334339,-0.00582918,0.00732216],[-0.0117995,-0.0289969,-0.0103313,0.00113842]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.45
S298 (cal/mol*K) = -6.75
G298 (kcal/mol) = 34.46

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(146); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>C7H10(146)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.229e+00 -5.104e-01 -2.330e-01 -4.444e-02 / CHEB/ 1.203e+01 3.517e-01 1.367e-01 4.105e-03 / CHEB/ 3.635e-01 1.413e-01 6.850e-02 1.487e-02 / CHEB/ 8.459e-02 3.891e-02 2.368e-02 1.017e-02 / CHEB/ -5.555e-03 -3.343e-02 -5.829e-03 7.322e-03 / CHEB/ -1.180e-02 -2.900e-02 -1.033e-02 1.138e-03 /

1395.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-3.0	+0.2	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-3.1	+0.2	+1.9

Chebyshev(coeffs=[[-5.03822,-0.492199,-0.228782,-0.0464022],[12.4288,0.338711,0.135353,0.00688617],[0.391164,0.137628,0.0674104,0.0153171],[0.101771,0.0374702,0.0230009,0.0100381],[-0.00197076,-0.0329361,-0.00637624,0.00677414],[-0.0132102,-0.0281969,-0.010405,0.000785781]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.76
S298 (cal/mol*K) = -27.37
G298 (kcal/mol) = 4.40

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(225); C2H4(115), C7H11(225); C5H7(210)+C2H4(115)(+M)=>C7H11(225)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.038e+00 -4.922e-01 -2.288e-01 -4.640e-02 / CHEB/ 1.243e+01 3.387e-01 1.354e-01 6.886e-03 / CHEB/ 3.912e-01 1.376e-01 6.741e-02 1.532e-02 / CHEB/ 1.018e-01 3.747e-02 2.300e-02 1.004e-02 / CHEB/ -1.971e-03 -3.294e-02 -6.376e-03 6.774e-03 / CHEB/ -1.321e-02 -2.820e-02 -1.040e-02 7.858e-04 /

1396.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-1.1	+1.4	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-1.3	+1.4	+2.7

Chebyshev(coeffs=[[-1.33797,-0.680353,-0.251549,-0.0196829],[9.55546,0.509362,0.13944,-0.0259535],[0.412945,0.161689,0.0781147,0.0127324],[0.0989207,0.0347558,0.025904,0.0129093],[-0.00702505,-0.0385156,-0.00231186,0.010389],[-0.0147134,-0.0318725,-0.00980632,0.00261453]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.15
S298 (cal/mol*K) = -32.70
G298 (kcal/mol) = -15.41

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(226); C2H4(115), C7H11(226); C5H7(210)+C2H4(115)(+M)=>C7H11(226)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.338e+00 -6.804e-01 -2.515e-01 -1.968e-02 / CHEB/ 9.555e+00 5.094e-01 1.394e-01 -2.595e-02 / CHEB/ 4.129e-01 1.617e-01 7.811e-02 1.273e-02 / CHEB/ 9.892e-02 3.476e-02 2.590e-02 1.291e-02 / CHEB/ -7.025e-03 -3.852e-02 -2.312e-03 1.039e-02 / CHEB/ -1.471e-02 -3.187e-02 -9.806e-03 2.615e-03 /

1397.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	+0.3	+2.3	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-5.9	-0.0	+2.2	+3.2

Chebyshev(coeffs=[[1.39127,-0.89139,-0.230839,0.00621898],[7.38698,0.708977,0.0912282,-0.0535559],[0.413015,0.182283,0.0935834,0.00541358],[0.0935987,0.0278192,0.032548,0.0163845],[-0.0119065,-0.0423466,0.00253447,0.013],[-0.0167434,-0.0346034,-0.00895474,0.00438694]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.79
S298 (cal/mol*K) = -30.69
G298 (kcal/mol) = 15.94

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(227); C2H4(115), C7H11(227); C5H7(210)+C2H4(115)(+M)=>C7H11(227)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.391e+00 -8.914e-01 -2.308e-01 6.219e-03 / CHEB/ 7.387e+00 7.090e-01 9.123e-02 -5.356e-02 / CHEB/ 4.130e-01 1.823e-01 9.358e-02 5.414e-03 / CHEB/ 9.360e-02 2.782e-02 3.255e-02 1.638e-02 / CHEB/ -1.191e-02 -4.235e-02 2.534e-03 1.300e-02 / CHEB/ -1.674e-02 -3.460e-02 -8.955e-03 4.387e-03 /

1398.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	-0.2	+1.5	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-5.9	-0.5	+1.4	+2.3

Chebyshev(coeffs=[[1.3559,-0.970707,-0.214957,0.0106622],[6.61386,0.771246,0.0619676,-0.055794],[0.333727,0.198351,0.0974837,-0.000679062],[0.0710939,0.0277292,0.0373356,0.016648],[-0.0210365,-0.0431202,0.00547405,0.0140567],[-0.0207119,-0.0359114,-0.00807157,0.00543312]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.41
S298 (cal/mol*K) = -31.79
G298 (kcal/mol) = 7.06

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(228); C2H4(115), C7H11(228); C5H7(210)+C2H4(115)(+M)=>C7H11(228)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.356e+00 -9.707e-01 -2.150e-01 1.066e-02 / CHEB/ 6.614e+00 7.712e-01 6.197e-02 -5.579e-02 / CHEB/ 3.337e-01 1.984e-01 9.748e-02 -6.791e-04 / CHEB/ 7.109e-02 2.773e-02 3.734e-02 1.665e-02 / CHEB/ -2.104e-02 -4.312e-02 5.474e-03 1.406e-02 / CHEB/ -2.071e-02 -3.591e-02 -8.072e-03 5.433e-03 /

1399.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	-1.4	+0.6	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-7.6	-1.7	+0.5	+1.6

Chebyshev(coeffs=[[-0.379938,-0.877285,-0.2343,0.00513348],[7.49135,0.692732,0.0964185,-0.0526936],[0.395437,0.182936,0.0918991,0.00596672],[0.0886207,0.0285982,0.0322912,0.0160903],[-0.0136936,-0.041969,0.00241992,0.0129074],[-0.0174909,-0.0342425,-0.00897347,0.00433431]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.41
S298 (cal/mol*K) = -31.79
G298 (kcal/mol) = 7.06

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(229); C2H4(115), C7H11(229); C5H7(210)+C2H4(115)(+M)=>C7H11(229)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.799e-01 -8.773e-01 -2.343e-01 5.133e-03 / CHEB/ 7.491e+00 6.927e-01 9.642e-02 -5.269e-02 / CHEB/ 3.954e-01 1.829e-01 9.190e-02 5.967e-03 / CHEB/ 8.862e-02 2.860e-02 3.229e-02 1.609e-02 / CHEB/ -1.369e-02 -4.197e-02 2.420e-03 1.291e-02 / CHEB/ -1.749e-02 -3.424e-02 -8.973e-03 4.334e-03 /

1400.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	-5.5	-1.7	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-5.7	-1.7	+0.3

Chebyshev(coeffs=[[-8.88623,-0.401764,-0.20385,-0.0546834],[14.5465,0.268652,0.12229,0.0190477],[0.490298,0.118437,0.0611487,0.0169029],[0.132498,0.0352818,0.0210924,0.00890248],[0.0109301,-0.0298023,-0.00822939,0.00422745],[-0.00827769,-0.0256675,-0.0106435,-0.000450116]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.99
S298 (cal/mol*K) = -31.11
G298 (kcal/mol) = 18.26

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(230); C2H4(115), C7H11(230); C5H7(210)+C2H4(115)(+M)=>C7H11(230)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.886e+00 -4.018e-01 -2.039e-01 -5.468e-02 / CHEB/ 1.455e+01 2.687e-01 1.223e-01 1.905e-02 / CHEB/ 4.903e-01 1.184e-01 6.115e-02 1.690e-02 / CHEB/ 1.325e-01 3.528e-02 2.109e-02 8.902e-03 / CHEB/ 1.093e-02 -2.980e-02 -8.229e-03 4.227e-03 / CHEB/ -8.278e-03 -2.567e-02 -1.064e-02 -4.501e-04 /

1401.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.4	-4.1	+0.6	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-4.2	+0.6	+3.0

Chebyshev(coeffs=[[-11.3282,-0.223588,-0.13344,-0.0549173],[20.2663,0.116458,0.0670149,0.0250439],[0.052179,0.0835234,0.0473185,0.0170674],[0.00774348,0.0336683,0.0198484,0.00796937],[-0.0223775,-0.0192187,-0.00814476,-0.00019904],[-0.0185924,-0.0193143,-0.00959987,-0.0021241]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.07
S298 (cal/mol*K) = 9.44
G298 (kcal/mol) = 62.26

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C5H7(210); C2H4(115), C2H4(72); C5H7(210)+C2H4(115)(+M)=>C5H7(210)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.133e+01 -2.236e-01 -1.334e-01 -5.492e-02 / CHEB/ 2.027e+01 1.165e-01 6.701e-02 2.504e-02 / CHEB/ 5.218e-02 8.352e-02 4.732e-02 1.707e-02 / CHEB/ 7.743e-03 3.367e-02 1.985e-02 7.969e-03 / CHEB/ -2.238e-02 -1.922e-02 -8.145e-03 -1.990e-04 / CHEB/ -1.859e-02 -1.931e-02 -9.600e-03 -2.124e-03 /

1402.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.3	-11.8	-4.8	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-33.4	-11.8	-4.8	-1.4

Chebyshev(coeffs=[[-25.6621,-0.105494,-0.0687849,-0.0340267],[30.4881,0.0427804,0.0277581,0.0135925],[-0.0979342,0.0460539,0.0289912,0.0133678],[-0.0444921,0.0220352,0.013994,0.00657403],[-0.0345636,-0.010663,-0.00602199,-0.0021074],[-0.0211009,-0.0119665,-0.00708902,-0.00283974]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.21
S298 (cal/mol*K) = 12.41
G298 (kcal/mol) = 95.52

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C4H5(99); C2H4(115), C3H6(231); C5H7(210)+C2H4(115)(+M)=>C3H6(231)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.566e+01 -1.055e-01 -6.878e-02 -3.403e-02 / CHEB/ 3.049e+01 4.278e-02 2.776e-02 1.359e-02 / CHEB/ -9.793e-02 4.605e-02 2.899e-02 1.337e-02 / CHEB/ -4.449e-02 2.204e-02 1.399e-02 6.574e-03 / CHEB/ -3.456e-02 -1.066e-02 -6.022e-03 -2.107e-03 / CHEB/ -2.110e-02 -1.197e-02 -7.089e-03 -2.840e-03 /

1403.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.6	-9.3	-3.4	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-26.8	-9.4	-3.4	-0.5

Chebyshev(coeffs=[[-19.2051,-0.169488,-0.105518,-0.0476141],[24.5428,0.081053,0.049439,0.0212775],[0.136452,0.0674969,0.0400717,0.0162336],[0.0702226,0.0290573,0.0176572,0.00756915],[-0.00861259,-0.0156753,-0.00762804,-0.0014272],[-0.0286375,-0.0162739,-0.00875553,-0.00265245]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 75.95
S298 (cal/mol*K) = -1.87
G298 (kcal/mol) = 76.51

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(18); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>C7H10(18)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.921e+01 -1.695e-01 -1.055e-01 -4.761e-02 / CHEB/ 2.454e+01 8.105e-02 4.944e-02 2.128e-02 / CHEB/ 1.365e-01 6.750e-02 4.007e-02 1.623e-02 / CHEB/ 7.022e-02 2.906e-02 1.766e-02 7.569e-03 / CHEB/ -8.613e-03 -1.568e-02 -7.628e-03 -1.427e-03 / CHEB/ -2.864e-02 -1.627e-02 -8.756e-03 -2.652e-03 /

1404.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.7	-9.8	-4.1	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-26.9	-9.9	-4.1	-1.2

Chebyshev(coeffs=[[-19.3554,-0.177273,-0.109709,-0.0488904],[23.9337,0.0861155,0.0521015,0.0220129],[0.139336,0.0699068,0.0412189,0.0164289],[0.0731926,0.029734,0.0179856,0.00763469],[-0.00821795,-0.0162407,-0.00775544,-0.00128391],[-0.0291693,-0.0167335,-0.00890161,-0.00259352]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 75.38
S298 (cal/mol*K) = -5.71
G298 (kcal/mol) = 77.08

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(89); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.936e+01 -1.773e-01 -1.097e-01 -4.889e-02 / CHEB/ 2.393e+01 8.612e-02 5.210e-02 2.201e-02 / CHEB/ 1.393e-01 6.991e-02 4.122e-02 1.643e-02 / CHEB/ 7.319e-02 2.973e-02 1.799e-02 7.635e-03 / CHEB/ -8.218e-03 -1.624e-02 -7.755e-03 -1.284e-03 / CHEB/ -2.917e-02 -1.673e-02 -8.902e-03 -2.594e-03 /

1405.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-40.0	-16.1	-8.1	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-40.1	-16.1	-8.1	-4.1

Chebyshev(coeffs=[[-31.9878,-0.0915132,-0.0602298,-0.0303215],[33.8067,0.0355627,0.0233527,0.0117],[0.117483,0.0408878,0.0260815,0.0123542],[0.0163017,0.0199672,0.0128216,0.0061566],[-0.0135686,-0.0095109,-0.00554177,-0.00211933],[-0.0133121,-0.0108427,-0.00656503,-0.00277232]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 107.89
S298 (cal/mol*K) = 0.14
G298 (kcal/mol) = 107.85

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(95); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.199e+01 -9.151e-02 -6.023e-02 -3.032e-02 / CHEB/ 3.381e+01 3.556e-02 2.335e-02 1.170e-02 / CHEB/ 1.175e-01 4.089e-02 2.608e-02 1.235e-02 / CHEB/ 1.630e-02 1.997e-02 1.282e-02 6.157e-03 / CHEB/ -1.357e-02 -9.511e-03 -5.542e-03 -2.119e-03 / CHEB/ -1.331e-02 -1.084e-02 -6.565e-03 -2.772e-03 /

1406.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.3	-14.0	-5.6	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-39.4	-14.0	-5.6	-1.6

Chebyshev(coeffs=[[-31.3226,-0.0769858,-0.0511486,-0.0261998],[35.9143,0.0284718,0.0189187,0.00968902],[-0.0574789,0.0353366,0.0228508,0.0111202],[-0.0369267,0.0175575,0.011408,0.00560438],[-0.0307731,-0.00827627,-0.00497679,-0.0020632],[-0.0189429,-0.00957591,-0.00593028,-0.00263594]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 116.04
S298 (cal/mol*K) = 16.15
G298 (kcal/mol) = 111.23

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C5H8(232); C2H4(115), C2H3(100); C5H7(210)+C2H4(115)(+M)=>C5H8(232)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.132e+01 -7.699e-02 -5.115e-02 -2.620e-02 / CHEB/ 3.591e+01 2.847e-02 1.892e-02 9.689e-03 / CHEB/ -5.748e-02 3.534e-02 2.285e-02 1.112e-02 / CHEB/ -3.693e-02 1.756e-02 1.141e-02 5.604e-03 / CHEB/ -3.077e-02 -8.276e-03 -4.977e-03 -2.063e-03 / CHEB/ -1.894e-02 -9.576e-03 -5.930e-03 -2.636e-03 /

1407.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.3	-13.1	-5.7	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-35.4	-13.2	-5.7	-2.0

Chebyshev(coeffs=[[-27.3917,-0.107474,-0.0699814,-0.0345303],[31.2842,0.0438397,0.0283957,0.0138576],[0.144361,0.0467664,0.0293849,0.0134971],[0.0271749,0.0223114,0.0141477,0.00662574],[-0.0109359,-0.0108244,-0.00608588,-0.00210119],[-0.0128611,-0.0121191,-0.00715737,-0.00284509]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.69
S298 (cal/mol*K) = -0.96
G298 (kcal/mol) = 98.97

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(96); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.739e+01 -1.075e-01 -6.998e-02 -3.453e-02 / CHEB/ 3.128e+01 4.384e-02 2.840e-02 1.386e-02 / CHEB/ 1.444e-01 4.677e-02 2.938e-02 1.350e-02 / CHEB/ 2.717e-02 2.231e-02 1.415e-02 6.626e-03 / CHEB/ -1.094e-02 -1.082e-02 -6.086e-03 -2.101e-03 / CHEB/ -1.286e-02 -1.212e-02 -7.157e-03 -2.845e-03 /

1408.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.3	-13.1	-5.7	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-35.4	-13.2	-5.7	-2.0

H298 (kcal/mol) = 98.69
S298 (cal/mol*K) = -0.96
G298 (kcal/mol) = 98.97

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(97); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.739e+01 -1.075e-01 -6.998e-02 -3.453e-02 / CHEB/ 3.128e+01 4.384e-02 2.840e-02 1.386e-02 / CHEB/ 1.444e-01 4.677e-02 2.938e-02 1.350e-02 / CHEB/ 2.717e-02 2.231e-02 1.415e-02 6.626e-03 / CHEB/ -1.094e-02 -1.082e-02 -6.086e-03 -2.101e-03 / CHEB/ -1.286e-02 -1.212e-02 -7.157e-03 -2.845e-03 /

1409.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-40.0	-15.5	-7.3	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-40.0	-15.6	-7.3	-3.2

Chebyshev(coeffs=[[-31.8911,-0.0880627,-0.0580904,-0.0293674],[34.5305,0.0338321,0.0222804,0.0112234],[0.134925,0.0396014,0.025343,0.0120824],[0.0214471,0.0194138,0.012501,0.0060354],[-0.0119644,-0.00922051,-0.00541333,-0.00211225],[-0.0126416,-0.0105512,-0.00642291,-0.00274637]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 110.09
S298 (cal/mol*K) = -0.28
G298 (kcal/mol) = 110.17

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(37); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.189e+01 -8.806e-02 -5.809e-02 -2.937e-02 / CHEB/ 3.453e+01 3.383e-02 2.228e-02 1.122e-02 / CHEB/ 1.349e-01 3.960e-02 2.534e-02 1.208e-02 / CHEB/ 2.145e-02 1.941e-02 1.250e-02 6.035e-03 / CHEB/ -1.196e-02 -9.221e-03 -5.413e-03 -2.112e-03 / CHEB/ -1.264e-02 -1.055e-02 -6.423e-03 -2.746e-03 /

1410.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	-0.1	+1.5	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-5.6	-0.4	+1.4	+2.2

Chebyshev(coeffs=[[1.59938,-0.991748,-0.213615,0.011965],[6.37443,0.773478,0.0555678,-0.0565497],[0.251822,0.21027,0.0955072,-0.00305207],[0.0430736,0.0314392,0.0395464,0.0158199],[-0.0309853,-0.0425336,0.00758957,0.0144123],[-0.0241999,-0.0362716,-0.00720563,0.00611059]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.33
S298 (cal/mol*K) = -34.98
G298 (kcal/mol) = -1.91

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(233); C2H4(115), C7H11(233); C5H7(210)+C2H4(115)(+M)=>C7H11(233)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.599e+00 -9.917e-01 -2.136e-01 1.196e-02 / CHEB/ 6.374e+00 7.735e-01 5.557e-02 -5.655e-02 / CHEB/ 2.518e-01 2.103e-01 9.551e-02 -3.052e-03 / CHEB/ 4.307e-02 3.144e-02 3.955e-02 1.582e-02 / CHEB/ -3.099e-02 -4.253e-02 7.590e-03 1.441e-02 / CHEB/ -2.420e-02 -3.627e-02 -7.206e-03 6.111e-03 /

1411.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-4.3	-0.6	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-14.9	-4.4	-0.7	+1.2

Chebyshev(coeffs=[[-7.66673,-0.394803,-0.202583,-0.0561257],[14.4934,0.250724,0.116232,0.0197989],[0.305326,0.123207,0.0622342,0.0160626],[0.0799429,0.038514,0.0224307,0.00891935],[-0.00583598,-0.0287254,-0.00759312,0.00450192],[-0.0141073,-0.0256928,-0.0103817,-0.000135191]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.05
S298 (cal/mol*K) = -29.92
G298 (kcal/mol) = 4.87

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(234); C2H4(115), C7H11(234); C5H7(210)+C2H4(115)(+M)=>C7H11(234)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.667e+00 -3.948e-01 -2.026e-01 -5.613e-02 / CHEB/ 1.449e+01 2.507e-01 1.162e-01 1.980e-02 / CHEB/ 3.053e-01 1.232e-01 6.223e-02 1.606e-02 / CHEB/ 7.994e-02 3.851e-02 2.243e-02 8.919e-03 / CHEB/ -5.836e-03 -2.873e-02 -7.593e-03 4.502e-03 / CHEB/ -1.411e-02 -2.569e-02 -1.038e-02 -1.352e-04 /

1412.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	-1.6	+0.8	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-9.0	-1.8	+0.7	+1.9

Chebyshev(coeffs=[[-1.9487,-0.660242,-0.254152,-0.0239777],[9.60099,0.471465,0.13872,-0.0210008],[0.247241,0.169946,0.0765542,0.0107297],[0.0546279,0.0403151,0.0272219,0.0121336],[-0.0227317,-0.0371178,-0.00144165,0.0106906],[-0.0214201,-0.0319681,-0.00924813,0.00308151]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.09
S298 (cal/mol*K) = -33.89
G298 (kcal/mol) = 21.19

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(235); C2H4(115), C7H11(235); C5H7(210)+C2H4(115)(+M)=>C7H11(235)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.949e+00 -6.602e-01 -2.542e-01 -2.398e-02 / CHEB/ 9.601e+00 4.715e-01 1.387e-01 -2.100e-02 / CHEB/ 2.472e-01 1.699e-01 7.655e-02 1.073e-02 / CHEB/ 5.463e-02 4.032e-02 2.722e-02 1.213e-02 / CHEB/ -2.273e-02 -3.712e-02 -1.442e-03 1.069e-02 / CHEB/ -2.142e-02 -3.197e-02 -9.248e-03 3.082e-03 /

1413.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.9	-13.5	-5.7	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-36.9	-13.5	-5.7	-1.8

Chebyshev(coeffs=[[-28.9453,-0.0940174,-0.0617756,-0.0310042],[33.0757,0.0368164,0.0241256,0.0120396],[0.0548212,0.0418391,0.0266249,0.0125513],[-0.00114028,0.0203488,0.0130406,0.00623726],[-0.0197342,-0.0097178,-0.00563088,-0.00212106],[-0.0155998,-0.0110487,-0.00666355,-0.00278803]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.38
S298 (cal/mol*K) = 8.13
G298 (kcal/mol) = 94.96

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C6H9(236); C2H4(115), CH2(T)(82); C5H7(210)+C2H4(115)(+M)=>C6H9(236)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.895e+01 -9.402e-02 -6.178e-02 -3.100e-02 / CHEB/ 3.308e+01 3.682e-02 2.413e-02 1.204e-02 / CHEB/ 5.482e-02 4.184e-02 2.662e-02 1.255e-02 / CHEB/ -1.140e-03 2.035e-02 1.304e-02 6.237e-03 / CHEB/ -1.973e-02 -9.718e-03 -5.631e-03 -2.121e-03 / CHEB/ -1.560e-02 -1.105e-02 -6.664e-03 -2.788e-03 /

1414.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-41.5	-17.1	-8.9	-4.7
log₁₀(k(10 bar)/[mole,m,s])	-41.5	-17.1	-8.9	-4.7

Chebyshev(coeffs=[[-33.3165,-0.0885384,-0.0583799,-0.0294911],[34.3419,0.0348674,0.0229382,0.0115321],[0.224152,0.0394989,0.0252789,0.0120537],[0.00383242,0.0193422,0.0124558,0.00601451],[-0.00784064,-0.00935524,-0.00549421,-0.00214575],[0.00359957,-0.0106193,-0.00646704,-0.00276801]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 109.09
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = 109.95

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(237); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(237)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.332e+01 -8.854e-02 -5.838e-02 -2.949e-02 / CHEB/ 3.434e+01 3.487e-02 2.294e-02 1.153e-02 / CHEB/ 2.242e-01 3.950e-02 2.528e-02 1.205e-02 / CHEB/ 3.832e-03 1.934e-02 1.246e-02 6.015e-03 / CHEB/ -7.841e-03 -9.355e-03 -5.494e-03 -2.146e-03 / CHEB/ 3.600e-03 -1.062e-02 -6.467e-03 -2.768e-03 /

1415.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-5.6	-3.6	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-12.9	-6.1	-3.7	-2.7

Chebyshev(coeffs=[[-5.07259,-1.87353,-0.366068,0.00775226],[8.01202,1.62636,0.117516,-0.0832721],[0.396595,0.266377,0.163587,0.00801604],[0.0398141,-0.0447759,0.0375576,0.0238836],[-0.0312025,-0.0749827,-0.00814685,0.012666],[-0.0175295,-0.0300948,-0.0096427,0.00249514]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.37
S298 (cal/mol*K) = -44.53
G298 (kcal/mol) = 29.63

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(1); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>C7H10(1)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.073e+00 -1.874e+00 -3.661e-01 7.752e-03 / CHEB/ 8.012e+00 1.626e+00 1.175e-01 -8.327e-02 / CHEB/ 3.966e-01 2.664e-01 1.636e-01 8.016e-03 / CHEB/ 3.981e-02 -4.478e-02 3.756e-02 2.388e-02 / CHEB/ -3.120e-02 -7.498e-02 -8.147e-03 1.267e-02 / CHEB/ -1.753e-02 -3.009e-02 -9.643e-03 2.495e-03 /

1416.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.4	-8.1	-4.1	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-19.8	-8.2	-4.2	-2.1

Chebyshev(coeffs=[[-12.621,-0.515059,-0.285932,-0.0993782],[16.1797,0.347634,0.184914,0.055788],[0.223629,0.127922,0.0658147,0.0184126],[0.110991,0.0249272,0.0133928,0.0044364],[-0.0134519,-0.0296268,-0.00972737,0.00247101],[-0.0326714,-0.0231719,-0.00880798,0.000571424]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 45.20
S298 (cal/mol*K) = -23.89
G298 (kcal/mol) = 52.32

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(218); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(218)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.262e+01 -5.151e-01 -2.859e-01 -9.938e-02 / CHEB/ 1.618e+01 3.476e-01 1.849e-01 5.579e-02 / CHEB/ 2.236e-01 1.279e-01 6.581e-02 1.841e-02 / CHEB/ 1.110e-01 2.493e-02 1.339e-02 4.436e-03 / CHEB/ -1.345e-02 -2.963e-02 -9.727e-03 2.471e-03 / CHEB/ -3.267e-02 -2.317e-02 -8.808e-03 5.714e-04 /

1418.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-7.4	-3.8	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-18.4	-7.6	-3.8	-1.9

Chebyshev(coeffs=[[-10.5758,-0.95661,-0.377096,-0.0584457],[13.9235,0.991755,0.304618,-0.0138293],[0.88967,-0.130273,0.0197929,0.0483161],[-0.133994,0.0528104,0.0308361,0.00768254],[0.00115544,0.0270756,-0.00849677,-0.00873156],[0.0287439,-0.0672104,-0.0183945,0.00583982]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.46
S298 (cal/mol*K) = -47.08
G298 (kcal/mol) = 10.57

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(219); C2H4(115), C7H11(219); C5H7(210)+C2H4(115)(+M)=>C7H11(219)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.058e+01 -9.566e-01 -3.771e-01 -5.845e-02 / CHEB/ 1.392e+01 9.918e-01 3.046e-01 -1.383e-02 / CHEB/ 8.897e-01 -1.303e-01 1.979e-02 4.832e-02 / CHEB/ -1.340e-01 5.281e-02 3.084e-02 7.683e-03 / CHEB/ 1.155e-03 2.708e-02 -8.497e-03 -8.732e-03 / CHEB/ 2.874e-02 -6.721e-02 -1.839e-02 5.840e-03 /

1419.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-2.7	-1.0	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-3.2	-1.2	-0.3

Chebyshev(coeffs=[[-1.90117,-1.96851,-0.356417,0.00972565],[7.4296,1.65067,0.0864257,-0.0835067],[0.247055,0.308331,0.160335,0.00101733],[-0.0152903,-0.034818,0.0452424,0.0225511],[-0.0538625,-0.0767639,-0.00325593,0.0135407],[-0.0250113,-0.0315744,-0.00897156,0.00342757]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.01
S298 (cal/mol*K) = -45.37
G298 (kcal/mol) = -0.49

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(220); C2H4(115), C7H11(220); C5H7(210)+C2H4(115)(+M)=>C7H11(220)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.901e+00 -1.969e+00 -3.564e-01 9.726e-03 / CHEB/ 7.430e+00 1.651e+00 8.643e-02 -8.351e-02 / CHEB/ 2.471e-01 3.083e-01 1.603e-01 1.017e-03 / CHEB/ -1.529e-02 -3.482e-02 4.524e-02 2.255e-02 / CHEB/ -5.386e-02 -7.676e-02 -3.256e-03 1.354e-02 / CHEB/ -2.501e-02 -3.157e-02 -8.972e-03 3.428e-03 /

1420.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.5	-12.7	-7.4	-4.7
log₁₀(k(10 bar)/[mole,m,s])	-28.7	-12.8	-7.4	-4.7

Chebyshev(coeffs=[[-21.3053,-0.227977,-0.14074,-0.0624804],[22.4431,0.108731,0.0661222,0.0283094],[0.0979679,0.0806046,0.0461179,0.0170422],[0.0557005,0.0323667,0.0186948,0.0070988],[-0.0127518,-0.0185656,-0.0084205,-0.000905422],[-0.0201926,-0.0187953,-0.0093919,-0.00211017]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.59
S298 (cal/mol*K) = -20.38
G298 (kcal/mol) = 77.66

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(28); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.131e+01 -2.280e-01 -1.407e-01 -6.248e-02 / CHEB/ 2.244e+01 1.087e-01 6.612e-02 2.831e-02 / CHEB/ 9.797e-02 8.060e-02 4.612e-02 1.704e-02 / CHEB/ 5.570e-02 3.237e-02 1.869e-02 7.099e-03 / CHEB/ -1.275e-02 -1.857e-02 -8.421e-03 -9.054e-04 / CHEB/ -2.019e-02 -1.880e-02 -9.392e-03 -2.110e-03 /

1421.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.8	-11.4	-6.8	-4.4
log₁₀(k(10 bar)/[mole,m,s])	-25.1	-11.5	-6.8	-4.5

Chebyshev(coeffs=[[-17.8305,-0.344223,-0.203647,-0.0824974],[19.1284,0.199527,0.115394,0.04397],[0.165104,0.102965,0.0555934,0.0175876],[0.114838,0.0313782,0.0171038,0.00560541],[-0.0120269,-0.0233492,-0.00894431,0.000814894],[-0.0386719,-0.0212248,-0.00935598,-0.000850527]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.74
S298 (cal/mol*K) = -30.47
G298 (kcal/mol) = 67.82

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(33); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.783e+01 -3.442e-01 -2.036e-01 -8.250e-02 / CHEB/ 1.913e+01 1.995e-01 1.154e-01 4.397e-02 / CHEB/ 1.651e-01 1.030e-01 5.559e-02 1.759e-02 / CHEB/ 1.148e-01 3.138e-02 1.710e-02 5.605e-03 / CHEB/ -1.203e-02 -2.335e-02 -8.944e-03 8.149e-04 / CHEB/ -3.867e-02 -2.122e-02 -9.356e-03 -8.505e-04 /

1422.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.2	-15.0	-8.7	-5.6
log₁₀(k(10 bar)/[mole,m,s])	-33.3	-15.0	-8.8	-5.6

Chebyshev(coeffs=[[-25.7073,-0.173066,-0.109467,-0.0510576],[25.8628,0.0737392,0.0461265,0.0209813],[0.149767,0.0664308,0.0394799,0.0160203],[0.077632,0.0286286,0.0171828,0.00714752],[-0.0117701,-0.0152226,-0.00759876,-0.00164471],[-0.0213648,-0.0161324,-0.00866351,-0.00260097]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.14
S298 (cal/mol*K) = -23.47
G298 (kcal/mol) = 89.13

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(32); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.571e+01 -1.731e-01 -1.095e-01 -5.106e-02 / CHEB/ 2.586e+01 7.374e-02 4.613e-02 2.098e-02 / CHEB/ 1.498e-01 6.643e-02 3.948e-02 1.602e-02 / CHEB/ 7.763e-02 2.863e-02 1.718e-02 7.148e-03 / CHEB/ -1.177e-02 -1.522e-02 -7.599e-03 -1.645e-03 / CHEB/ -2.136e-02 -1.613e-02 -8.664e-03 -2.601e-03 /

1423.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.0	-15.7	-9.4	-6.3
log₁₀(k(10 bar)/[mole,m,s])	-34.1	-15.7	-9.4	-6.3

Chebyshev(coeffs=[[-26.4062,-0.173922,-0.10997,-0.0512568],[25.8718,0.0749429,0.0468334,0.0212596],[0.21209,0.0655471,0.0389529,0.015805],[0.0568195,0.0292962,0.0175698,0.0072949],[-0.00434167,-0.0152555,-0.00761293,-0.00164533],[-0.0095208,-0.0165568,-0.00890714,-0.00269146]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.14
S298 (cal/mol*K) = -24.85
G298 (kcal/mol) = 89.54

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(34); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.641e+01 -1.739e-01 -1.100e-01 -5.126e-02 / CHEB/ 2.587e+01 7.494e-02 4.683e-02 2.126e-02 / CHEB/ 2.121e-01 6.555e-02 3.895e-02 1.580e-02 / CHEB/ 5.682e-02 2.930e-02 1.757e-02 7.295e-03 / CHEB/ -4.342e-03 -1.526e-02 -7.613e-03 -1.645e-03 / CHEB/ -9.521e-03 -1.656e-02 -8.907e-03 -2.691e-03 /

1424.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.8	-7.2	-4.6	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-15.7	-7.5	-4.7	-3.4

Chebyshev(coeffs=[[-8.4285,-1.15402,-0.457618,-0.0528135],[10.7727,0.924457,0.300228,-0.0199178],[0.264681,0.205129,0.104726,0.0256076],[0.0483685,-0.00268788,0.0121522,0.0129085],[-0.0364323,-0.0538616,-0.0115294,0.0068746],[-0.0233864,-0.0286286,-0.00722319,0.00259025]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.90
S298 (cal/mol*K) = -45.68
G298 (kcal/mol) = 19.51

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(221); C2H4(115), C7H11(221); C5H7(210)+C2H4(115)(+M)=>C7H11(221)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.428e+00 -1.154e+00 -4.576e-01 -5.281e-02 / CHEB/ 1.077e+01 9.245e-01 3.002e-01 -1.992e-02 / CHEB/ 2.647e-01 2.051e-01 1.047e-01 2.561e-02 / CHEB/ 4.837e-02 -2.688e-03 1.215e-02 1.291e-02 / CHEB/ -3.643e-02 -5.386e-02 -1.153e-02 6.875e-03 / CHEB/ -2.339e-02 -2.863e-02 -7.223e-03 2.590e-03 /

1425.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.7	+6.3	+5.7	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+7.5	+7.2	+6.7	+6.3

Chebyshev(coeffs=[[12.2441,1.75384,-0.144462,-0.0572887],[-0.428367,0.125888,0.0701264,0.0241044],[-0.32531,0.0847387,0.0474461,0.0165354],[-0.175571,0.0332474,0.0196892,0.00799953],[-0.0399056,-0.0123988,-0.00435939,0.00106167],[-5.77533e-05,-0.0145044,-0.00697066,-0.00127522]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -66.18
S298 (cal/mol*K) = -38.53
G298 (kcal/mol) = -54.70

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(46); C2H4(72), C7H11(46); C5H7(210)+C2H4(72)(+M)=>C7H11(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.224e+01 1.754e+00 -1.445e-01 -5.729e-02 / CHEB/ -4.284e-01 1.259e-01 7.013e-02 2.410e-02 / CHEB/ -3.253e-01 8.474e-02 4.745e-02 1.654e-02 / CHEB/ -1.756e-01 3.325e-02 1.969e-02 8.000e-03 / CHEB/ -3.991e-02 -1.240e-02 -4.359e-03 1.062e-03 / CHEB/ -5.775e-05 -1.450e-02 -6.971e-03 -1.275e-03 /

1426.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.7	+2.0	+1.8	+1.6
log₁₀(k(10 bar)/[mole,m,s])	+3.5	+2.9	+2.7	+2.6

Chebyshev(coeffs=[[8.31304,1.68373,-0.189709,-0.0793414],[-0.683571,0.157713,0.0914682,0.0352023],[-0.111159,0.082988,0.0455095,0.0149335],[0.0469181,0.0297329,0.0165705,0.0057436],[0.0114427,-0.0118163,-0.00411553,0.00103472],[-0.0344898,-0.0118185,-0.00500365,-0.000137141]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -91.93
S298 (cal/mol*K) = -63.52
G298 (kcal/mol) = -73.01

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(22); C2H4(72), C7H11(22); C5H7(210)+C2H4(72)(+M)=>C7H11(22)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.313e+00 1.684e+00 -1.897e-01 -7.934e-02 / CHEB/ -6.836e-01 1.577e-01 9.147e-02 3.520e-02 / CHEB/ -1.112e-01 8.299e-02 4.551e-02 1.493e-02 / CHEB/ 4.692e-02 2.973e-02 1.657e-02 5.744e-03 / CHEB/ 1.144e-02 -1.182e-02 -4.116e-03 1.035e-03 / CHEB/ -3.449e-02 -1.182e-02 -5.004e-03 -1.371e-04 /

1427.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+8.0	+8.0	+8.0	+8.0
log₁₀(k(10 bar)/[mole,m,s])	+7.8	+7.9	+8.0	+8.0

Chebyshev(coeffs=[[13.8519,-0.240445,-0.141455,-0.0564169],[0.0902992,0.129073,0.0721489,0.0250524],[0.0428961,0.0823404,0.0465757,0.0166967],[0.0103087,0.0305268,0.0183621,0.00773264],[-0.0148769,-0.0134423,-0.00509288,0.000668877],[-0.0130479,-0.0144298,-0.00713305,-0.00152903]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -65.07
S298 (cal/mol*K) = -9.44
G298 (kcal/mol) = -62.26

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H7(210); C2H4(72), C2H4(115); C5H7(210)+C2H4(72)(+M)=>C5H7(210)+C2H4(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.385e+01 -2.404e-01 -1.415e-01 -5.642e-02 / CHEB/ 9.030e-02 1.291e-01 7.215e-02 2.505e-02 / CHEB/ 4.290e-02 8.234e-02 4.658e-02 1.670e-02 / CHEB/ 1.031e-02 3.053e-02 1.836e-02 7.733e-03 / CHEB/ -1.488e-02 -1.344e-02 -5.093e-03 6.689e-04 / CHEB/ -1.305e-02 -1.443e-02 -7.133e-03 -1.529e-03 /

1428.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+3.6	+3.6	+3.4
log₁₀(k(10 bar)/[mole,m,s])	+4.5	+4.5	+4.6	+4.4

Chebyshev(coeffs=[[9.63338,1.71829,-0.167219,-0.0683382],[-0.286474,0.129355,0.0732426,0.0264908],[0.11962,0.0735254,0.0395152,0.0121037],[0.035069,0.0328052,0.0187579,0.00701845],[-0.0770434,-0.00896956,-0.0023829,0.00181945],[-0.0783633,-0.0114997,-0.0050556,-0.000387016]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.69
S298 (cal/mol*K) = -47.57
G298 (kcal/mol) = -56.52

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(224); C2H4(72), C7H11(224); C5H7(210)+C2H4(72)(+M)=>C7H11(224)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.633e+00 1.718e+00 -1.672e-01 -6.834e-02 / CHEB/ -2.865e-01 1.294e-01 7.324e-02 2.649e-02 / CHEB/ 1.196e-01 7.353e-02 3.952e-02 1.210e-02 / CHEB/ 3.507e-02 3.281e-02 1.876e-02 7.018e-03 / CHEB/ -7.704e-02 -8.970e-03 -2.383e-03 1.819e-03 / CHEB/ -7.836e-02 -1.150e-02 -5.056e-03 -3.870e-04 /

1429.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.1	+3.9	+3.3	+2.7
log₁₀(k(10 bar)/[mole,m,s])	+4.7	+4.6	+4.2	+3.6

Chebyshev(coeffs=[[9.61046,1.4944,-0.294938,-0.115532],[-0.460825,0.176411,0.0991865,0.034748],[-0.222277,0.127721,0.0697484,0.0227621],[-0.183922,0.0907827,0.0479012,0.0142638],[-0.11299,0.0164007,0.0103491,0.00498373],[-0.0398019,-0.0130038,-0.00499488,0.000455029]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -82.65
S298 (cal/mol*K) = -51.69
G298 (kcal/mol) = -67.25

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(222); C2H4(72), C7H11(222); C5H7(210)+C2H4(72)(+M)=>C7H11(222)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.610e+00 1.494e+00 -2.949e-01 -1.155e-01 / CHEB/ -4.608e-01 1.764e-01 9.919e-02 3.475e-02 / CHEB/ -2.223e-01 1.277e-01 6.975e-02 2.276e-02 / CHEB/ -1.839e-01 9.078e-02 4.790e-02 1.426e-02 / CHEB/ -1.130e-01 1.640e-02 1.035e-02 4.984e-03 / CHEB/ -3.980e-02 -1.300e-02 -4.995e-03 4.550e-04 /

1430.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.7	+5.7	+6.3	+6.7
log₁₀(k(10 bar)/[mole,m,s])	+4.5	+5.6	+6.3	+6.7

Chebyshev(coeffs=[[10.9763,-0.227823,-0.133916,-0.0538818],[1.18928,0.134548,0.0751681,0.0265377],[0.440811,0.0741748,0.042825,0.0163395],[0.119706,0.0240917,0.014942,0.00676871],[0.00813292,-0.0146138,-0.00625309,-0.000254245],[-0.010707,-0.0133009,-0.0069634,-0.00195281]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -32.63
S298 (cal/mol*K) = -16.19
G298 (kcal/mol) = -27.80

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(146); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>C7H10(146)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.098e+01 -2.278e-01 -1.339e-01 -5.388e-02 / CHEB/ 1.189e+00 1.345e-01 7.517e-02 2.654e-02 / CHEB/ 4.408e-01 7.417e-02 4.282e-02 1.634e-02 / CHEB/ 1.197e-01 2.409e-02 1.494e-02 6.769e-03 / CHEB/ 8.133e-03 -1.461e-02 -6.253e-03 -2.542e-04 / CHEB/ -1.071e-02 -1.330e-02 -6.963e-03 -1.953e-03 /

1431.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.7	+4.4	+3.9	+3.6
log₁₀(k(10 bar)/[mole,m,s])	+4.8	+4.8	+4.6	+4.5

Chebyshev(coeffs=[[9.86219,0.817802,-0.570482,-0.148564],[-0.155033,0.590416,0.261772,0.0473149],[-0.157569,0.279277,0.13183,0.0325793],[-0.0728204,0.162383,0.0732621,0.0147222],[-0.0229491,0.00836216,0.00995262,0.00769371],[-0.00908985,-0.0363235,-0.0136378,0.00067224]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.83
S298 (cal/mol*K) = -36.81
G298 (kcal/mol) = -57.86

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(225); C2H4(72), C7H11(225); C5H7(210)+C2H4(72)(+M)=>C7H11(225)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.862e+00 8.178e-01 -5.705e-01 -1.486e-01 / CHEB/ -1.550e-01 5.904e-01 2.618e-01 4.731e-02 / CHEB/ -1.576e-01 2.793e-01 1.318e-01 3.258e-02 / CHEB/ -7.282e-02 1.624e-01 7.326e-02 1.472e-02 / CHEB/ -2.295e-02 8.362e-03 9.953e-03 7.694e-03 / CHEB/ -9.090e-03 -3.632e-02 -1.364e-02 6.722e-04 /

1432.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.8	+5.1	+4.9	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+4.7	+5.3	+5.5	+5.3

Chebyshev(coeffs=[[10.4946,0.404562,-0.35319,-0.0134785],[0.0452301,0.848262,0.00981099,-0.0352942],[0.0152817,0.300762,0.108536,-0.0181456],[-0.0589576,0.120509,0.055184,0.00361746],[-0.095635,0.048108,0.0112252,0.00167332],[-0.0675273,0.0128258,0.00624768,-0.000147783]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -90.22
S298 (cal/mol*K) = -42.14
G298 (kcal/mol) = -77.67

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(226); C2H4(72), C7H11(226); C5H7(210)+C2H4(72)(+M)=>C7H11(226)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.049e+01 4.046e-01 -3.532e-01 -1.348e-02 / CHEB/ 4.523e-02 8.483e-01 9.811e-03 -3.529e-02 / CHEB/ 1.528e-02 3.008e-01 1.085e-01 -1.815e-02 / CHEB/ -5.896e-02 1.205e-01 5.518e-02 3.617e-03 / CHEB/ -9.564e-02 4.811e-02 1.123e-02 1.673e-03 / CHEB/ -6.753e-02 1.283e-02 6.248e-03 -1.478e-04 /

1433.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.7	+4.9	+4.4	+3.8
log₁₀(k(10 bar)/[mole,m,s])	+5.3	+5.6	+5.3	+4.8

Chebyshev(coeffs=[[10.3892,1.41244,-0.328683,-0.11667],[-0.200603,0.319512,0.162842,0.0428833],[-0.0806232,0.119613,0.0727193,0.0302711],[-0.172389,0.092905,0.0484019,0.0142123],[-0.133839,0.013754,0.00970802,0.00539584],[-0.0542342,-0.0191641,-0.00765199,0.000257717]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -58.28
S298 (cal/mol*K) = -40.13
G298 (kcal/mol) = -46.32

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(227); C2H4(72), C7H11(227); C5H7(210)+C2H4(72)(+M)=>C7H11(227)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.039e+01 1.412e+00 -3.287e-01 -1.167e-01 / CHEB/ -2.006e-01 3.195e-01 1.628e-01 4.288e-02 / CHEB/ -8.062e-02 1.196e-01 7.272e-02 3.027e-02 / CHEB/ -1.724e-01 9.290e-02 4.840e-02 1.421e-02 / CHEB/ -1.338e-01 1.375e-02 9.708e-03 5.396e-03 / CHEB/ -5.423e-02 -1.916e-02 -7.652e-03 2.577e-04 /

1434.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.1	+4.1	+3.7	+3.1
log₁₀(k(10 bar)/[mole,m,s])	+4.7	+4.8	+4.5	+4.1

Chebyshev(coeffs=[[9.72425,1.35867,-0.337183,-0.11067],[-0.250536,0.302467,0.142476,0.0334186],[-0.0896128,0.123439,0.0670652,0.0238866],[-0.155888,0.0978129,0.0479865,0.0122402],[-0.11676,0.017855,0.0115756,0.0051228],[-0.0436027,-0.0161177,-0.00583819,0.000572089]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -67.48
S298 (cal/mol*K) = -41.23
G298 (kcal/mol) = -55.20

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(228); C2H4(72), C7H11(228); C5H7(210)+C2H4(72)(+M)=>C7H11(228)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.724e+00 1.359e+00 -3.372e-01 -1.107e-01 / CHEB/ -2.505e-01 3.025e-01 1.425e-01 3.342e-02 / CHEB/ -8.961e-02 1.234e-01 6.707e-02 2.389e-02 / CHEB/ -1.559e-01 9.781e-02 4.799e-02 1.224e-02 / CHEB/ -1.168e-01 1.786e-02 1.158e-02 5.123e-03 / CHEB/ -4.360e-02 -1.612e-02 -5.838e-03 5.721e-04 /

1435.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.4	+4.4	+4.0	+3.3
log₁₀(k(10 bar)/[mole,m,s])	+4.4	+4.8	+4.6	+4.2

Chebyshev(coeffs=[[9.79508,0.673332,-0.478527,-0.0637371],[-0.195655,0.7752,0.146258,-0.0460881],[-0.0795208,0.223392,0.139083,0.0281636],[-0.11612,0.124364,0.0592265,0.0160533],[-0.126074,0.0463848,0.0178238,0.00457674],[-0.0790718,-0.00593867,0.00402899,0.00425153]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -67.48
S298 (cal/mol*K) = -41.23
G298 (kcal/mol) = -55.20

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(229); C2H4(72), C7H11(229); C5H7(210)+C2H4(72)(+M)=>C7H11(229)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.795e+00 6.733e-01 -4.785e-01 -6.374e-02 / CHEB/ -1.957e-01 7.752e-01 1.463e-01 -4.609e-02 / CHEB/ -7.952e-02 2.234e-01 1.391e-01 2.816e-02 / CHEB/ -1.161e-01 1.244e-01 5.923e-02 1.605e-02 / CHEB/ -1.261e-01 4.638e-02 1.782e-02 4.577e-03 / CHEB/ -7.907e-02 -5.939e-03 4.029e-03 4.252e-03 /

1436.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.0	+3.1	+3.8	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+1.0	+2.7	+3.7	+4.3

Chebyshev(coeffs=[[8.16663,-1.21873,-0.191742,0.0417608],[1.50703,0.850336,-0.013701,-0.0594015],[0.428621,0.28985,0.129848,-0.0158604],[0.149032,0.0442725,0.0420218,0.00859841],[0.0487186,-0.0158709,-0.0108795,0.000955006],[0.00470808,-0.0160948,-0.00550523,-0.000812644]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.08
S298 (cal/mol*K) = -40.55
G298 (kcal/mol) = -44.00

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(230); C2H4(72), C7H11(230); C5H7(210)+C2H4(72)(+M)=>C7H11(230)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.167e+00 -1.219e+00 -1.917e-01 4.176e-02 / CHEB/ 1.507e+00 8.503e-01 -1.370e-02 -5.940e-02 / CHEB/ 4.286e-01 2.898e-01 1.298e-01 -1.586e-02 / CHEB/ 1.490e-01 4.427e-02 4.202e-02 8.598e-03 / CHEB/ 4.872e-02 -1.587e-02 -1.088e-02 9.550e-04 / CHEB/ 4.708e-03 -1.609e-02 -5.505e-03 -8.126e-04 /

1437.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-1.7	+1.4	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-1.7	+1.4	+3.0

Chebyshev(coeffs=[[-3.12712,-0.104997,-0.0682662,-0.0335942],[11.6478,0.0546871,0.0349379,0.0166087],[0.411545,0.0396416,0.0253536,0.0120709],[0.0986209,0.0152454,0.00990426,0.00486889],[-0.00407122,-0.00814669,-0.00464786,-0.00167529],[-0.0164191,-0.0080492,-0.00489696,-0.00209183]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.14
S298 (cal/mol*K) = 2.97
G298 (kcal/mol) = 33.26

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H5(99); C2H4(72), C3H6(231); C5H7(210)+C2H4(72)(+M)=>C3H6(231)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.127e+00 -1.050e-01 -6.827e-02 -3.359e-02 / CHEB/ 1.165e+01 5.469e-02 3.494e-02 1.661e-02 / CHEB/ 4.115e-01 3.964e-02 2.535e-02 1.207e-02 / CHEB/ 9.862e-02 1.525e-02 9.904e-03 4.869e-03 / CHEB/ -4.071e-03 -8.147e-03 -4.648e-03 -1.675e-03 / CHEB/ -1.642e-02 -8.049e-03 -4.897e-03 -2.092e-03 /

1438.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	-0.0	+2.3	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-4.9	-0.1	+2.3	+3.7

Chebyshev(coeffs=[[2.13237,-0.162319,-0.0989023,-0.0444036],[6.47333,0.0924849,0.0545125,0.0235864],[0.788591,0.0505062,0.0310084,0.0133557],[0.215514,0.0185406,0.0113085,0.00496844],[0.0821695,-0.00960362,-0.00540187,-0.00170343],[0.011113,-0.0091006,-0.00540421,-0.00218506]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.88
S298 (cal/mol*K) = -11.31
G298 (kcal/mol) = 14.25

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(18); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>C7H10(18)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.132e+00 -1.623e-01 -9.890e-02 -4.440e-02 / CHEB/ 6.473e+00 9.248e-02 5.451e-02 2.359e-02 / CHEB/ 7.886e-01 5.051e-02 3.101e-02 1.336e-02 / CHEB/ 2.155e-01 1.854e-02 1.131e-02 4.968e-03 / CHEB/ 8.217e-02 -9.604e-03 -5.402e-03 -1.703e-03 / CHEB/ 1.111e-02 -9.101e-03 -5.404e-03 -2.185e-03 /

1439.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	-0.1	+2.1	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-5.3	-0.2	+2.1	+3.3

Chebyshev(coeffs=[[1.93599,-0.16294,-0.101066,-0.0454207],[6.34764,0.0990622,0.059237,0.0245566],[0.911589,0.0518099,0.0319711,0.0141441],[0.145141,0.0175757,0.0112973,0.00544457],[-0.0308158,-0.0113913,-0.00580453,-0.00140138],[-0.0237217,-0.0101223,-0.00582576,-0.00217346]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.31
S298 (cal/mol*K) = -15.15
G298 (kcal/mol) = 14.82

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(89); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.936e+00 -1.629e-01 -1.011e-01 -4.542e-02 / CHEB/ 6.348e+00 9.906e-02 5.924e-02 2.456e-02 / CHEB/ 9.116e-01 5.181e-02 3.197e-02 1.414e-02 / CHEB/ 1.451e-01 1.758e-02 1.130e-02 5.445e-03 / CHEB/ -3.082e-02 -1.139e-02 -5.805e-03 -1.401e-03 / CHEB/ -2.372e-02 -1.012e-02 -5.826e-03 -2.173e-03 /

1440.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.6	-5.0	-1.1	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-15.7	-5.0	-1.2	+0.9

Chebyshev(coeffs=[[-8.39736,-0.151629,-0.0992443,-0.049464],[14.6921,0.0884163,0.0566798,0.0271374],[0.460484,0.0398707,0.0265132,0.0135875],[0.111795,0.0269109,0.0172457,0.00825278],[0.0087979,-0.00359907,-0.00181355,-0.000394338],[-0.0109197,-0.0104502,-0.00647923,-0.00288808]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.82
S298 (cal/mol*K) = -9.30
G298 (kcal/mol) = 45.59

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(95); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.397e+00 -1.516e-01 -9.924e-02 -4.946e-02 / CHEB/ 1.469e+01 8.842e-02 5.668e-02 2.714e-02 / CHEB/ 4.605e-01 3.987e-02 2.651e-02 1.359e-02 / CHEB/ 1.118e-01 2.691e-02 1.725e-02 8.253e-03 / CHEB/ 8.798e-03 -3.599e-03 -1.814e-03 -3.943e-04 / CHEB/ -1.092e-02 -1.045e-02 -6.479e-03 -2.888e-03 /

1441.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-3.4	+0.9	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-15.3	-3.4	+0.9	+3.0

Chebyshev(coeffs=[[-8.05578,-0.078851,-0.0522499,-0.0266362],[16.6582,0.037718,0.024738,0.0123702],[0.346148,0.0316741,0.0206564,0.0102172],[0.097407,0.0131206,0.00863077,0.00434122],[0.00472837,-0.00629502,-0.00377944,-0.00156011],[-0.011491,-0.00667143,-0.00418651,-0.00191499]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.97
S298 (cal/mol*K) = 6.71
G298 (kcal/mol) = 48.97

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(232); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C5H8(232)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.056e+00 -7.885e-02 -5.225e-02 -2.664e-02 / CHEB/ 1.666e+01 3.772e-02 2.474e-02 1.237e-02 / CHEB/ 3.461e-01 3.167e-02 2.066e-02 1.022e-02 / CHEB/ 9.741e-02 1.312e-02 8.631e-03 4.341e-03 / CHEB/ 4.728e-03 -6.295e-03 -3.779e-03 -1.560e-03 / CHEB/ -1.149e-02 -6.671e-03 -4.187e-03 -1.915e-03 /

1442.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-3.0	+0.5	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-3.1	+0.5	+2.4

Chebyshev(coeffs=[[-4.89989,-0.109256,-0.0703999,-0.0342076],[12.4727,0.0577233,0.0362826,0.0168828],[0.660457,0.0403091,0.0257674,0.0122104],[0.170227,0.0156734,0.0101189,0.00492385],[0.0190748,-0.00819686,-0.00464231,-0.00164001],[-0.00838114,-0.0081775,-0.00494326,-0.00208562]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.62
S298 (cal/mol*K) = -10.40
G298 (kcal/mol) = 36.71

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(96); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.900e+00 -1.093e-01 -7.040e-02 -3.421e-02 / CHEB/ 1.247e+01 5.772e-02 3.628e-02 1.688e-02 / CHEB/ 6.605e-01 4.031e-02 2.577e-02 1.221e-02 / CHEB/ 1.702e-01 1.567e-02 1.012e-02 4.924e-03 / CHEB/ 1.907e-02 -8.197e-03 -4.642e-03 -1.640e-03 / CHEB/ -8.381e-03 -8.178e-03 -4.943e-03 -2.086e-03 /

1443.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-3.0	+0.5	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-3.1	+0.5	+2.4

Chebyshev(coeffs=[[-4.89163,-0.116652,-0.072935,-0.0337468],[12.4659,0.0654804,0.0382124,0.0156343],[0.658133,0.0403437,0.0267159,0.0131221],[0.169942,0.015569,0.00997321,0.00492024],[0.0195912,-0.0082842,-0.00478145,-0.00178991],[-0.00812822,-0.00831106,-0.0049777,-0.00206751]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.62
S298 (cal/mol*K) = -10.40
G298 (kcal/mol) = 36.71

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(97); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.892e+00 -1.167e-01 -7.293e-02 -3.375e-02 / CHEB/ 1.247e+01 6.548e-02 3.821e-02 1.563e-02 / CHEB/ 6.581e-01 4.034e-02 2.672e-02 1.312e-02 / CHEB/ 1.699e-01 1.557e-02 9.973e-03 4.920e-03 / CHEB/ 1.959e-02 -8.284e-03 -4.781e-03 -1.790e-03 / CHEB/ -8.128e-03 -8.311e-03 -4.978e-03 -2.068e-03 /

1444.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.3	-5.1	-0.9	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-5.2	-1.0	+1.3

Chebyshev(coeffs=[[-8.91152,-0.0891609,-0.0586465,-0.0294938],[15.4286,0.04417,0.0286748,0.0140638],[0.580384,0.0349658,0.0226265,0.0110248],[0.160403,0.0140744,0.00920714,0.00458426],[0.0219027,-0.00703982,-0.00414202,-0.00162464],[-0.00632838,-0.0072549,-0.00449565,-0.00200129]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 45.02
S298 (cal/mol*K) = -9.72
G298 (kcal/mol) = 47.91

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(37); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.912e+00 -8.916e-02 -5.865e-02 -2.949e-02 / CHEB/ 1.543e+01 4.417e-02 2.867e-02 1.406e-02 / CHEB/ 5.804e-01 3.497e-02 2.263e-02 1.102e-02 / CHEB/ 1.604e-01 1.407e-02 9.207e-03 4.584e-03 / CHEB/ 2.190e-02 -7.040e-03 -4.142e-03 -1.625e-03 / CHEB/ -6.328e-03 -7.255e-03 -4.496e-03 -2.001e-03 /

1445.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.6	+4.5	+3.9	+3.3
log₁₀(k(10 bar)/[mole,m,s])	+4.9	+5.0	+4.7	+4.2

Chebyshev(coeffs=[[10.0362,1.10062,-0.420165,-0.0951602],[-0.38196,0.428944,0.161462,0.00707635],[-0.16122,0.159805,0.0880706,0.0249289],[-0.150859,0.10822,0.0465753,0.00852032],[-0.127274,0.0398694,0.015106,0.00142768],[-0.0678478,0.00119406,0.00230189,0.00164807]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -77.40
S298 (cal/mol*K) = -44.42
G298 (kcal/mol) = -64.17

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(233); C2H4(72), C7H11(233); C5H7(210)+C2H4(72)(+M)=>C7H11(233)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.004e+01 1.101e+00 -4.202e-01 -9.516e-02 / CHEB/ -3.820e-01 4.289e-01 1.615e-01 7.076e-03 / CHEB/ -1.612e-01 1.598e-01 8.807e-02 2.493e-02 / CHEB/ -1.509e-01 1.082e-01 4.658e-02 8.520e-03 / CHEB/ -1.273e-01 3.987e-02 1.511e-02 1.428e-03 / CHEB/ -6.785e-02 1.194e-03 2.302e-03 1.648e-03 /

1446.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.1	+4.3	+4.9	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+2.2	+3.8	+4.7	+5.3

Chebyshev(coeffs=[[9.28006,-1.18278,-0.172403,0.0458369],[1.46539,0.75092,-0.0615058,-0.0682392],[0.386258,0.284715,0.123001,-0.0216854],[0.113612,0.051524,0.0449393,0.00894848],[0.029102,-0.00750666,-0.00782792,0.000980256],[-0.00315365,-0.00741402,-0.00242638,-0.00113451]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.12
S298 (cal/mol*K) = -39.36
G298 (kcal/mol) = -57.39

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(234); C2H4(72), C7H11(234); C5H7(210)+C2H4(72)(+M)=>C7H11(234)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.280e+00 -1.183e+00 -1.724e-01 4.584e-02 / CHEB/ 1.465e+00 7.509e-01 -6.151e-02 -6.824e-02 / CHEB/ 3.863e-01 2.847e-01 1.230e-01 -2.169e-02 / CHEB/ 1.136e-01 5.152e-02 4.494e-02 8.948e-03 / CHEB/ 2.910e-02 -7.507e-03 -7.828e-03 9.803e-04 / CHEB/ -3.154e-03 -7.414e-03 -2.426e-03 -1.135e-03 /

1447.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.7	+3.1	+2.9	+2.7
log₁₀(k(10 bar)/[mole,m,s])	+3.4	+3.9	+3.9	+3.6

Chebyshev(coeffs=[[8.53701,1.5404,-0.271651,-0.109636],[0.236357,0.224417,0.125692,0.0437997],[0.064981,0.109153,0.0626127,0.0234127],[-0.105566,0.0739313,0.0413582,0.0145705],[-0.087627,0.00228527,0.00401633,0.00416814],[-0.0271062,-0.0188177,-0.00867219,-0.00119054]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -53.98
S298 (cal/mol*K) = -43.33
G298 (kcal/mol) = -41.07

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(235); C2H4(72), C7H11(235); C5H7(210)+C2H4(72)(+M)=>C7H11(235)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.537e+00 1.540e+00 -2.717e-01 -1.096e-01 / CHEB/ 2.364e-01 2.244e-01 1.257e-01 4.380e-02 / CHEB/ 6.498e-02 1.092e-01 6.261e-02 2.341e-02 / CHEB/ -1.056e-01 7.393e-02 4.136e-02 1.457e-02 / CHEB/ -8.763e-02 2.285e-03 4.016e-03 4.168e-03 / CHEB/ -2.711e-02 -1.882e-02 -8.672e-03 -1.191e-03 /

1448.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-3.2	+0.6	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-3.2	+0.6	+2.6

Chebyshev(coeffs=[[-6.11884,-0.0946361,-0.0620006,-0.0309509],[14.061,0.0477215,0.0308105,0.0149521],[0.522611,0.0366377,0.0236116,0.0114129],[0.139601,0.0145182,0.00947255,0.00469366],[0.0130763,-0.00742874,-0.00432438,-0.00164874],[-0.0098272,-0.00754324,-0.004644,-0.00203782]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.31
S298 (cal/mol*K) = -1.31
G298 (kcal/mol) = 32.70

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(236); C2H4(72), CH2(T)(82); C5H7(210)+C2H4(72)(+M)=>C6H9(236)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.119e+00 -9.464e-02 -6.200e-02 -3.095e-02 / CHEB/ 1.406e+01 4.772e-02 3.081e-02 1.495e-02 / CHEB/ 5.226e-01 3.664e-02 2.361e-02 1.141e-02 / CHEB/ 1.396e-01 1.452e-02 9.473e-03 4.694e-03 / CHEB/ 1.308e-02 -7.429e-03 -4.324e-03 -1.649e-03 / CHEB/ -9.827e-03 -7.543e-03 -4.644e-03 -2.038e-03 /

1449.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.5	-6.6	-2.4	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-17.6	-6.6	-2.4	-0.2

Chebyshev(coeffs=[[-10.1918,-0.0900105,-0.0591604,-0.0297105],[15.2149,0.0453245,0.0293893,0.0143815],[0.61207,0.0350699,0.0226906,0.0110529],[0.172264,0.0139434,0.00912452,0.00454623],[0.0295949,-0.00718988,-0.00422968,-0.00165853],[-0.00425284,-0.00728749,-0.00451612,-0.00201075]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.02
S298 (cal/mol*K) = -12.34
G298 (kcal/mol) = 47.69

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(237); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(237)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.019e+01 -9.001e-02 -5.916e-02 -2.971e-02 / CHEB/ 1.521e+01 4.532e-02 2.939e-02 1.438e-02 / CHEB/ 6.121e-01 3.507e-02 2.269e-02 1.105e-02 / CHEB/ 1.723e-01 1.394e-02 9.125e-03 4.546e-03 / CHEB/ 2.959e-02 -7.190e-03 -4.230e-03 -1.659e-03 / CHEB/ -4.253e-03 -7.287e-03 -4.516e-03 -2.011e-03 /

1450.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	-0.1	+0.3	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-1.0	-0.2	+0.2	+0.5

Chebyshev(coeffs=[[5.28315,-0.301772,-0.180332,-0.0747772],[0.877581,0.181713,0.105385,0.0405936],[0.271293,0.0815429,0.0459929,0.0163644],[0.0649782,0.0244216,0.0139496,0.00520176],[-0.0101455,-0.0149816,-0.00623572,-1.16778e-05],[-0.0166475,-0.0133097,-0.00628496,-0.00101754]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -48.71
S298 (cal/mol*K) = -53.97
G298 (kcal/mol) = -32.63

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(1); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>C7H10(1)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.283e+00 -3.018e-01 -1.803e-01 -7.478e-02 / CHEB/ 8.776e-01 1.817e-01 1.054e-01 4.059e-02 / CHEB/ 2.713e-01 8.154e-02 4.599e-02 1.636e-02 / CHEB/ 6.498e-02 2.442e-02 1.395e-02 5.202e-03 / CHEB/ -1.015e-02 -1.498e-02 -6.236e-03 -1.168e-05 / CHEB/ -1.665e-02 -1.331e-02 -6.285e-03 -1.018e-03 /

1451.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	-0.6	+0.6	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-3.0	-0.7	+0.6	+1.4

Chebyshev(coeffs=[[3.87177,-0.259452,-0.157514,-0.0675925],[2.56934,0.173497,0.102221,0.0409079],[0.780204,0.0629742,0.0367357,0.0142393],[0.176087,0.0166925,0.0102968,0.00457294],[0.00810174,-0.0144398,-0.00648276,-0.000617],[-0.0168634,-0.0113449,-0.00590895,-0.00158577]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.87
S298 (cal/mol*K) = -33.33
G298 (kcal/mol) = -9.94

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(218); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(218)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.872e+00 -2.595e-01 -1.575e-01 -6.759e-02 / CHEB/ 2.569e+00 1.735e-01 1.022e-01 4.091e-02 / CHEB/ 7.802e-01 6.297e-02 3.674e-02 1.424e-02 / CHEB/ 1.761e-01 1.669e-02 1.030e-02 4.573e-03 / CHEB/ 8.102e-03 -1.444e-02 -6.483e-03 -6.170e-04 / CHEB/ -1.686e-02 -1.134e-02 -5.909e-03 -1.586e-03 /

1452.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.1	+2.9	+1.9	+0.9
log₁₀(k(10 bar)/[mole,m,s])	+3.7	+3.5	+2.7	+1.9

Chebyshev(coeffs=[[8.47514,1.38423,-0.36452,-0.148392],[-0.715735,0.220459,0.129873,0.0516635],[-0.394348,0.132167,0.07357,0.0255347],[-0.277755,0.113974,0.0611978,0.0194113],[-0.164249,0.0310222,0.0181998,0.00757013],[-0.0598996,-0.010479,-0.00420178,0.000185269]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -79.08
S298 (cal/mol*K) = -53.43
G298 (kcal/mol) = -63.16

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(40); C2H4(72), C7H11(40); C5H7(210)+C2H4(72)(+M)=>C7H11(40)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.475e+00 1.384e+00 -3.645e-01 -1.484e-01 / CHEB/ -7.157e-01 2.205e-01 1.299e-01 5.166e-02 / CHEB/ -3.943e-01 1.322e-01 7.357e-02 2.553e-02 / CHEB/ -2.778e-01 1.140e-01 6.120e-02 1.941e-02 / CHEB/ -1.642e-01 3.102e-02 1.820e-02 7.570e-03 / CHEB/ -5.990e-02 -1.048e-02 -4.202e-03 1.853e-04 /

1453.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+0.3	+1.1	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+0.1	+1.1	+1.7

Chebyshev(coeffs=[[5.66203,-0.48498,-0.287746,-0.117432],[1.25014,0.343879,0.204177,0.0833675],[0.50711,0.125666,0.0721554,0.0270579],[0.242156,0.0467089,0.0230841,0.00507638],[0.0765573,-0.0284191,-0.0161914,-0.00591946],[0.00240486,-0.0349892,-0.0182239,-0.0050193]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.53
S298 (cal/mol*K) = -56.52
G298 (kcal/mol) = -51.69

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(219); C2H4(72), C7H11(219); C5H7(210)+C2H4(72)(+M)=>C7H11(219)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.662e+00 -4.850e-01 -2.877e-01 -1.174e-01 / CHEB/ 1.250e+00 3.439e-01 2.042e-01 8.337e-02 / CHEB/ 5.071e-01 1.257e-01 7.216e-02 2.706e-02 / CHEB/ 2.422e-01 4.671e-02 2.308e-02 5.076e-03 / CHEB/ 7.656e-02 -2.842e-02 -1.619e-02 -5.919e-03 / CHEB/ 2.405e-03 -3.499e-02 -1.822e-02 -5.019e-03 /

1454.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.0	+2.5	+2.6	+2.7
log₁₀(k(10 bar)/[mole,m,s])	+1.8	+2.3	+2.6	+2.7

Chebyshev(coeffs=[[7.94944,-0.307099,-0.183267,-0.0757722],[0.5866,0.179398,0.103885,0.039856],[0.149891,0.0832151,0.0466308,0.016296],[0.017937,0.0258502,0.0145664,0.00524302],[-0.0268848,-0.0145684,-0.00597648,0.000105422],[-0.0223151,-0.0133644,-0.00619706,-0.00087404]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -79.08
S298 (cal/mol*K) = -54.81
G298 (kcal/mol) = -62.75

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(220); C2H4(72), C7H11(220); C5H7(210)+C2H4(72)(+M)=>C7H11(220)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.949e+00 -3.071e-01 -1.833e-01 -7.577e-02 / CHEB/ 5.866e-01 1.794e-01 1.039e-01 3.986e-02 / CHEB/ 1.499e-01 8.322e-02 4.663e-02 1.630e-02 / CHEB/ 1.794e-02 2.585e-02 1.457e-02 5.243e-03 / CHEB/ -2.688e-02 -1.457e-02 -5.976e-03 1.054e-04 / CHEB/ -2.232e-02 -1.336e-02 -6.197e-03 -8.740e-04 /

1455.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-3.9	-1.9	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-8.2	-4.0	-1.9	-0.8

Chebyshev(coeffs=[[-1.06963,-0.218163,-0.134585,-0.0596923],[5.19704,0.139885,0.0838738,0.0349065],[0.917474,0.0591332,0.035789,0.0151234],[0.179176,0.017696,0.0108764,0.00479554],[0.00185685,-0.0128717,-0.0064916,-0.00148682],[-0.0193638,-0.0114059,-0.00629051,-0.00206681]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.52
S298 (cal/mol*K) = -29.82
G298 (kcal/mol) = 15.40

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(28); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.070e+00 -2.182e-01 -1.346e-01 -5.969e-02 / CHEB/ 5.197e+00 1.399e-01 8.387e-02 3.491e-02 / CHEB/ 9.175e-01 5.913e-02 3.579e-02 1.512e-02 / CHEB/ 1.792e-01 1.770e-02 1.088e-02 4.796e-03 / CHEB/ 1.857e-03 -1.287e-02 -6.492e-03 -1.487e-03 / CHEB/ -1.936e-02 -1.141e-02 -6.291e-03 -2.067e-03 /

1456.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-3.5	-1.8	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-3.5	-1.9	-0.9

Chebyshev(coeffs=[[0.532208,-0.321308,-0.191326,-0.0785149],[3.45798,0.246596,0.141976,0.0535648],[0.929967,0.060375,0.0370042,0.0160523],[0.200699,0.015159,0.00837248,0.00283706],[0.00678334,-0.0178394,-0.00876132,-0.00177236],[-0.0200992,-0.0139226,-0.00721327,-0.00189721]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.33
S298 (cal/mol*K) = -39.91
G298 (kcal/mol) = 5.56

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(33); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.322e-01 -3.213e-01 -1.913e-01 -7.851e-02 / CHEB/ 3.458e+00 2.466e-01 1.420e-01 5.356e-02 / CHEB/ 9.300e-01 6.037e-02 3.700e-02 1.605e-02 / CHEB/ 2.007e-01 1.516e-02 8.372e-03 2.837e-03 / CHEB/ 6.783e-03 -1.784e-02 -8.761e-03 -1.772e-03 / CHEB/ -2.010e-02 -1.392e-02 -7.213e-03 -1.897e-03 /

1457.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-5.7	-3.0	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-5.8	-3.1	-1.6

Chebyshev(coeffs=[[-4.49638,-0.164191,-0.10386,-0.0484743],[7.80649,0.0959511,0.0592799,0.0263283],[0.920888,0.0506627,0.0311317,0.0136246],[0.21917,0.015954,0.0101277,0.00476425],[0.00981601,-0.011144,-0.00582594,-0.00155923],[-0.0175685,-0.00970353,-0.00556607,-0.00205124]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.07
S298 (cal/mol*K) = -32.91
G298 (kcal/mol) = 26.87

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(32); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.496e+00 -1.642e-01 -1.039e-01 -4.847e-02 / CHEB/ 7.806e+00 9.595e-02 5.928e-02 2.633e-02 / CHEB/ 9.209e-01 5.066e-02 3.113e-02 1.362e-02 / CHEB/ 2.192e-01 1.595e-02 1.013e-02 4.764e-03 / CHEB/ 9.816e-03 -1.114e-02 -5.826e-03 -1.559e-03 / CHEB/ -1.757e-02 -9.704e-03 -5.566e-03 -2.051e-03 /

1458.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-6.4	-3.7	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-6.5	-3.7	-2.2

Chebyshev(coeffs=[[-5.22644,-0.164663,-0.104133,-0.0485785],[7.86667,0.096438,0.0595603,0.026434],[0.944029,0.0506289,0.0311069,0.0136096],[0.224211,0.0159503,0.0101255,0.0047633],[0.0116881,-0.0111383,-0.00581841,-0.00155217],[-0.0167825,-0.00971723,-0.00557271,-0.00205248]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.07
S298 (cal/mol*K) = -34.29
G298 (kcal/mol) = 27.28

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(34); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.226e+00 -1.647e-01 -1.041e-01 -4.858e-02 / CHEB/ 7.867e+00 9.644e-02 5.956e-02 2.643e-02 / CHEB/ 9.440e-01 5.063e-02 3.111e-02 1.361e-02 / CHEB/ 2.242e-01 1.595e-02 1.013e-02 4.763e-03 / CHEB/ 1.169e-02 -1.114e-02 -5.818e-03 -1.552e-03 / CHEB/ -1.678e-02 -9.717e-03 -5.573e-03 -2.052e-03 /

1459.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	-0.7	-0.1	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-2.0	-0.9	-0.1	+0.3

Chebyshev(coeffs=[[4.45375,-0.330619,-0.196754,-0.0807614],[1.32319,0.163948,0.0942316,0.0354613],[0.434435,0.093744,0.0524104,0.0181342],[0.11363,0.0360348,0.0199965,0.00684695],[0.0146127,-0.00978059,-0.00382371,0.000345356],[-0.00362244,-0.0127537,-0.00585293,-0.0007471]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.18
S298 (cal/mol*K) = -55.13
G298 (kcal/mol) = -42.75

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(221); C2H4(72), C7H11(221); C5H7(210)+C2H4(72)(+M)=>C7H11(221)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.454e+00 -3.306e-01 -1.968e-01 -8.076e-02 / CHEB/ 1.323e+00 1.639e-01 9.423e-02 3.546e-02 / CHEB/ 4.344e-01 9.374e-02 5.241e-02 1.813e-02 / CHEB/ 1.136e-01 3.603e-02 2.000e-02 6.847e-03 / CHEB/ 1.461e-02 -9.781e-03 -3.824e-03 3.454e-04 / CHEB/ -3.622e-03 -1.275e-02 -5.853e-03 -7.471e-04 /

1460.

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PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.6	+5.6	+5.1	+4.8
log₁₀(k(10 bar)/[mole,m,s])	+6.5	+6.5	+6.1	+5.7

Chebyshev(coeffs=[[11.2327,1.80507,-0.108531,-0.0481573],[0.0321925,0.0948985,0.0471919,0.0220998],[-0.315836,0.0638582,0.037996,0.0142058],[-0.174031,0.0263621,0.0154109,0.00651947],[-0.0382089,-0.00981816,-0.00497146,-0.000898857],[0.000513166,-0.011137,-0.00624903,-0.00222771]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -77.06
S298 (cal/mol*K) = -27.22
G298 (kcal/mol) = -68.95

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(46); H(25), C7H11(46); C7H10(18)+H(25)(+M)=>C7H11(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.123e+01 1.805e+00 -1.085e-01 -4.816e-02 / CHEB/ 3.219e-02 9.490e-02 4.719e-02 2.210e-02 / CHEB/ -3.158e-01 6.386e-02 3.800e-02 1.421e-02 / CHEB/ -1.740e-01 2.636e-02 1.541e-02 6.519e-03 / CHEB/ -3.821e-02 -9.818e-03 -4.971e-03 -8.989e-04 / CHEB/ 5.132e-04 -1.114e-02 -6.249e-03 -2.228e-03 /

1461.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.3	+0.9	+0.9	+0.8
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+1.9	+1.8	+1.8

Chebyshev(coeffs=[[7.01215,1.77695,-0.126409,-0.0574734],[-0.179543,0.104467,0.0536759,0.0259704],[-0.0691179,0.062631,0.0368708,0.0133477],[0.0660844,0.0250957,0.0141687,0.00571144],[0.0197217,-0.00978906,-0.00499597,-0.000821299],[-0.0326263,-0.0104298,-0.00568457,-0.00178125]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -102.81
S298 (cal/mol*K) = -52.21
G298 (kcal/mol) = -87.25

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(22); H(25), C7H11(22); C7H10(18)+H(25)(+M)=>C7H11(22)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.012e+00 1.777e+00 -1.264e-01 -5.747e-02 / CHEB/ -1.795e-01 1.045e-01 5.368e-02 2.597e-02 / CHEB/ -6.912e-02 6.263e-02 3.687e-02 1.335e-02 / CHEB/ 6.608e-02 2.510e-02 1.417e-02 5.711e-03 / CHEB/ 1.972e-02 -9.789e-03 -4.996e-03 -8.213e-04 / CHEB/ -3.263e-02 -1.043e-02 -5.685e-03 -1.781e-03 /

1462.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+7.1	+7.5	+7.5	+7.6
log₁₀(k(10 bar)/[mole,m,s])	+7.0	+7.4	+7.5	+7.5

Chebyshev(coeffs=[[13.0412,-0.191193,-0.10685,-0.0474697],[0.496191,0.096687,0.0484922,0.0225694],[0.0277515,0.0626746,0.0374337,0.0140979],[0.00254553,0.0249541,0.0147099,0.00624177],[-0.0159088,-0.0102527,-0.00524877,-0.00110422],[-0.0130356,-0.0109908,-0.00620869,-0.00228793]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -75.95
S298 (cal/mol*K) = 1.87
G298 (kcal/mol) = -76.51

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H7(210); H(25), C2H4(115); C7H10(18)+H(25)(+M)=>C5H7(210)+C2H4(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.304e+01 -1.912e-01 -1.068e-01 -4.747e-02 / CHEB/ 4.962e-01 9.669e-02 4.849e-02 2.257e-02 / CHEB/ 2.775e-02 6.267e-02 3.743e-02 1.410e-02 / CHEB/ 2.546e-03 2.495e-02 1.471e-02 6.242e-03 / CHEB/ -1.591e-02 -1.025e-02 -5.249e-03 -1.104e-03 / CHEB/ -1.304e-02 -1.099e-02 -6.209e-03 -2.288e-03 /

1463.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+2.8	+2.9	+2.7
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+3.7	+3.8	+3.6

Chebyshev(coeffs=[[8.49797,1.78976,-0.118563,-0.0534966],[0.158279,0.0979321,0.049314,0.0234309],[0.117148,0.0594584,0.0348841,0.0124367],[0.0243231,0.0265102,0.0153737,0.00644819],[-0.0851293,-0.00819797,-0.00387441,-0.000268044],[-0.0840746,-0.0097664,-0.005282,-0.00165272]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -81.57
S298 (cal/mol*K) = -36.26
G298 (kcal/mol) = -70.76

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(224); H(25), C7H11(224); C7H10(18)+H(25)(+M)=>C7H11(224)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.498e+00 1.790e+00 -1.186e-01 -5.350e-02 / CHEB/ 1.583e-01 9.793e-02 4.931e-02 2.343e-02 / CHEB/ 1.171e-01 5.946e-02 3.488e-02 1.244e-02 / CHEB/ 2.432e-02 2.651e-02 1.537e-02 6.448e-03 / CHEB/ -8.513e-02 -8.198e-03 -3.874e-03 -2.680e-04 / CHEB/ -8.407e-02 -9.766e-03 -5.282e-03 -1.653e-03 /

1464.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.8	+4.8	+4.7	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+4.5	+4.7	+4.6	+4.5

Chebyshev(coeffs=[[10.5416,-0.294587,-0.11638,-0.0358102],[0.122122,0.146425,0.0416801,0.0136617],[-0.101289,0.0860486,0.0366619,0.00739346],[-0.03735,0.0389089,0.0174991,0.00375548],[-0.0259182,-0.00636038,-0.0017521,-0.000387318],[-0.0162685,-0.0114921,-0.00412887,-0.0010499]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -93.53
S298 (cal/mol*K) = -40.38
G298 (kcal/mol) = -81.50

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(222); H(25), C7H11(222); C7H10(18)+H(25)(+M)=>C7H11(222)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.054e+01 -2.946e-01 -1.164e-01 -3.581e-02 / CHEB/ 1.221e-01 1.464e-01 4.168e-02 1.366e-02 / CHEB/ -1.013e-01 8.605e-02 3.666e-02 7.393e-03 / CHEB/ -3.735e-02 3.891e-02 1.750e-02 3.755e-03 / CHEB/ -2.592e-02 -6.360e-03 -1.752e-03 -3.873e-04 / CHEB/ -1.627e-02 -1.149e-02 -4.129e-03 -1.050e-03 /

1465.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.1	+6.1	+6.7	+7.1
log₁₀(k(10 bar)/[mole,m,s])	+4.4	+5.8	+6.6	+7.0

Chebyshev(coeffs=[[11.2789,-0.78144,-0.11857,0.0428544],[1.27125,0.451928,-0.0577143,-0.0597577],[0.341354,0.174393,0.0682561,-0.0273569],[0.106345,0.0634884,0.0361414,0.00249868],[0.0165332,0.00444184,0.00441001,0.00451724],[-0.00708941,-0.00525533,0.00336221,0.00354278]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -43.50
S298 (cal/mol*K) = -4.88
G298 (kcal/mol) = -42.05

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(146); H(25), H(25); C7H10(18)+H(25)(+M)=>C7H10(146)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.128e+01 -7.814e-01 -1.186e-01 4.285e-02 / CHEB/ 1.271e+00 4.519e-01 -5.771e-02 -5.976e-02 / CHEB/ 3.414e-01 1.744e-01 6.826e-02 -2.736e-02 / CHEB/ 1.063e-01 6.349e-02 3.614e-02 2.499e-03 / CHEB/ 1.653e-02 4.442e-03 4.410e-03 4.517e-03 / CHEB/ -7.089e-03 -5.255e-03 3.362e-03 3.543e-03 /

1466.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.3	+6.4	+5.9	+5.4
log₁₀(k(10 bar)/[mole,m,s])	+5.9	+6.6	+6.5	+6.3

Chebyshev(coeffs=[[11.5034,0.323401,-0.517919,-0.0258732],[0.236765,0.943321,0.159854,-0.0416402],[-0.223777,0.34606,0.131681,-0.0199269],[-0.162308,0.136647,0.0624078,0.0108859],[-0.0400564,0.0399724,0.0210712,0.0114933],[-0.00333282,-7.23465e-05,0.00809472,0.00527643]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -79.71
S298 (cal/mol*K) = -25.50
G298 (kcal/mol) = -72.11

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(225); H(25), C7H11(225); C7H10(18)+H(25)(+M)=>C7H11(225)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.150e+01 3.234e-01 -5.179e-01 -2.587e-02 / CHEB/ 2.368e-01 9.433e-01 1.599e-01 -4.164e-02 / CHEB/ -2.238e-01 3.461e-01 1.317e-01 -1.993e-02 / CHEB/ -1.623e-01 1.366e-01 6.241e-02 1.089e-02 / CHEB/ -4.006e-02 3.997e-02 2.107e-02 1.149e-02 / CHEB/ -3.333e-03 -7.235e-05 8.095e-03 5.276e-03 /

1467.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+7.8	+7.7	+7.2	+6.6
log₁₀(k(10 bar)/[mole,m,s])	+7.9	+8.1	+7.9	+7.4

Chebyshev(coeffs=[[13.3727,0.802665,-0.271584,0.0349847],[-0.41179,0.639498,0.00110549,-0.0760966],[-0.201471,0.162248,0.0707174,-0.0165955],[-0.14472,0.0907605,0.0336534,0.00080428],[-0.115842,0.0688181,0.0196899,0.00026398],[-0.0670684,0.0275493,0.0153889,0.00268953]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -101.10
S298 (cal/mol*K) = -30.83
G298 (kcal/mol) = -91.91

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(226); H(25), C7H11(226); C7H10(18)+H(25)(+M)=>C7H11(226)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.337e+01 8.027e-01 -2.716e-01 3.498e-02 / CHEB/ -4.118e-01 6.395e-01 1.105e-03 -7.610e-02 / CHEB/ -2.015e-01 1.622e-01 7.072e-02 -1.660e-02 / CHEB/ -1.447e-01 9.076e-02 3.365e-02 8.043e-04 / CHEB/ -1.158e-01 6.882e-02 1.969e-02 2.640e-04 / CHEB/ -6.707e-02 2.755e-02 1.539e-02 2.690e-03 /

1468.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.8	+4.2	+3.7	+3.2
log₁₀(k(10 bar)/[mole,m,s])	+4.5	+5.0	+4.7	+4.2

Chebyshev(coeffs=[[9.5144,1.57772,-0.242385,-0.102],[0.141115,0.225302,0.119824,0.0469502],[-0.120743,0.0812323,0.0521791,0.0236683],[-0.196724,0.0703884,0.0391801,0.0141763],[-0.139278,0.00851492,0.00559118,0.00322605],[-0.0507513,-0.0160991,-0.00856612,-0.00244435]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.16
S298 (cal/mol*K) = -28.82
G298 (kcal/mol) = -60.57

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(227); H(25), C7H11(227); C7H10(18)+H(25)(+M)=>C7H11(227)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.514e+00 1.578e+00 -2.424e-01 -1.020e-01 / CHEB/ 1.411e-01 2.253e-01 1.198e-01 4.695e-02 / CHEB/ -1.207e-01 8.123e-02 5.218e-02 2.367e-02 / CHEB/ -1.967e-01 7.039e-02 3.918e-02 1.418e-02 / CHEB/ -1.393e-01 8.515e-03 5.591e-03 3.226e-03 / CHEB/ -5.075e-02 -1.610e-02 -8.566e-03 -2.444e-03 /

1469.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.9	+5.4	+5.0	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+4.6	+5.5	+5.5	+5.3

Chebyshev(coeffs=[[10.4187,0.344761,-0.486838,0.00271171],[0.208765,0.821255,0.0725202,-0.0916609],[-0.0626787,0.33196,0.125031,-0.0208888],[-0.152215,0.179821,0.0857193,0.0183326],[-0.111103,0.0550472,0.0284615,0.0136553],[-0.043095,-0.00143178,0.00679142,0.00485874]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -78.36
S298 (cal/mol*K) = -29.92
G298 (kcal/mol) = -69.44

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(228); H(25), C7H11(228); C7H10(18)+H(25)(+M)=>C7H11(228)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.042e+01 3.448e-01 -4.868e-01 2.712e-03 / CHEB/ 2.088e-01 8.213e-01 7.252e-02 -9.166e-02 / CHEB/ -6.268e-02 3.320e-01 1.250e-01 -2.089e-02 / CHEB/ -1.522e-01 1.798e-01 8.572e-02 1.833e-02 / CHEB/ -1.111e-01 5.505e-02 2.846e-02 1.366e-02 / CHEB/ -4.310e-02 -1.432e-03 6.791e-03 4.859e-03 /

1470.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.7	+5.2	+5.5	+5.6
log₁₀(k(10 bar)/[mole,m,s])	+4.1	+4.9	+5.3	+5.5

Chebyshev(coeffs=[[10.6162,-0.771896,-0.165198,-0.0108209],[0.716883,0.431812,-0.0178437,-0.0225892],[0.127683,0.149189,0.0626466,-0.00923724],[0.0495579,0.0726188,0.0386426,0.00405758],[0.00216047,0.0115214,0.00663914,0.0023424],[-0.0129593,-0.00688131,-0.000237979,-0.000320588]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -78.36
S298 (cal/mol*K) = -29.92
G298 (kcal/mol) = -69.44

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(229); H(25), C7H11(229); C7H10(18)+H(25)(+M)=>C7H11(229)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.062e+01 -7.719e-01 -1.652e-01 -1.082e-02 / CHEB/ 7.169e-01 4.318e-01 -1.784e-02 -2.259e-02 / CHEB/ 1.277e-01 1.492e-01 6.265e-02 -9.237e-03 / CHEB/ 4.956e-02 7.262e-02 3.864e-02 4.058e-03 / CHEB/ 2.160e-03 1.152e-02 6.639e-03 2.342e-03 / CHEB/ -1.296e-02 -6.881e-03 -2.380e-04 -3.206e-04 /

1471.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.5	+6.0	+6.2	+6.3
log₁₀(k(10 bar)/[mole,m,s])	+4.7	+5.5	+6.0	+6.3

Chebyshev(coeffs=[[11.2916,-1.11036,-0.262498,0.0275261],[0.779986,0.718374,0.0312827,-0.0789201],[0.0789074,0.159997,0.088559,-0.00708952],[0.0397208,0.0661509,0.0378306,0.00984238],[0.0328857,0.0482647,0.0183887,0.00515463],[0.00571361,0.0149913,0.0124029,0.00473044]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -66.96
S298 (cal/mol*K) = -29.24
G298 (kcal/mol) = -58.25

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(230); H(25), C7H11(230); C7H10(18)+H(25)(+M)=>C7H11(230)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.129e+01 -1.110e+00 -2.625e-01 2.753e-02 / CHEB/ 7.800e-01 7.184e-01 3.128e-02 -7.892e-02 / CHEB/ 7.891e-02 1.600e-01 8.856e-02 -7.090e-03 / CHEB/ 3.972e-02 6.615e-02 3.783e-02 9.842e-03 / CHEB/ 3.289e-02 4.826e-02 1.839e-02 5.155e-03 / CHEB/ 5.714e-03 1.499e-02 1.240e-02 4.730e-03 /

1472.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+4.9	+6.1	+6.8
log₁₀(k(10 bar)/[mole,m,s])	+2.3	+4.8	+6.1	+6.8

Chebyshev(coeffs=[[9.1605,-0.163995,-0.0945578,-0.0425128],[2.8607,0.09706,0.0514684,0.0232724],[0.67948,0.0495697,0.0306623,0.012259],[0.110667,0.0175163,0.0109957,0.00485889],[-0.00867842,-0.010059,-0.00552418,-0.00166827],[-0.0170655,-0.00896177,-0.00530839,-0.00217118]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.88
S298 (cal/mol*K) = 11.31
G298 (kcal/mol) = -14.25

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H7(210); H(25), C2H4(72); C7H10(18)+H(25)(+M)=>C5H7(210)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.161e+00 -1.640e-01 -9.456e-02 -4.251e-02 / CHEB/ 2.861e+00 9.706e-02 5.147e-02 2.327e-02 / CHEB/ 6.795e-01 4.957e-02 3.066e-02 1.226e-02 / CHEB/ 1.107e-01 1.752e-02 1.100e-02 4.859e-03 / CHEB/ -8.678e-03 -1.006e-02 -5.524e-03 -1.668e-03 / CHEB/ -1.707e-02 -8.962e-03 -5.308e-03 -2.171e-03 /

1473.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	-0.8	+1.8	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-0.8	+1.8	+3.2

Chebyshev(coeffs=[[-0.469682,-0.109037,-0.0670231,-0.0311214],[8.97617,0.0589712,0.0341531,0.0152217],[0.562071,0.0380977,0.0243544,0.0109672],[0.112092,0.014067,0.00905461,0.00439225],[-0.00650099,-0.00743854,-0.0044813,-0.00178168],[-0.0169121,-0.00703009,-0.00431253,-0.00193305]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.26
S298 (cal/mol*K) = 14.28
G298 (kcal/mol) = 19.01

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H5(99); H(25), C3H6(231); C7H10(18)+H(25)(+M)=>C3H6(231)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.697e-01 -1.090e-01 -6.702e-02 -3.112e-02 / CHEB/ 8.976e+00 5.897e-02 3.415e-02 1.522e-02 / CHEB/ 5.621e-01 3.810e-02 2.435e-02 1.097e-02 / CHEB/ 1.121e-01 1.407e-02 9.055e-03 4.392e-03 / CHEB/ -6.501e-03 -7.439e-03 -4.481e-03 -1.782e-03 / CHEB/ -1.691e-02 -7.030e-03 -4.313e-03 -1.933e-03 /

1474.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	+0.6	+2.5	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+0.4	+2.4	+3.5

Chebyshev(coeffs=[[3.62141,-0.378751,-0.0892839,-0.00788854],[4.79589,0.249921,-0.00379652,-0.0128339],[0.96079,0.0897451,0.0568165,-0.00327122],[0.151425,0.0182259,0.0180565,0.00885418],[-0.0126605,-0.0152252,-0.00704687,0.00211454],[-0.0178827,-0.00884915,-0.00311765,-0.000385527]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.57
S298 (cal/mol*K) = -3.84
G298 (kcal/mol) = 0.58

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(89); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.621e+00 -3.788e-01 -8.928e-02 -7.889e-03 / CHEB/ 4.796e+00 2.499e-01 -3.797e-03 -1.283e-02 / CHEB/ 9.608e-01 8.975e-02 5.682e-02 -3.271e-03 / CHEB/ 1.514e-01 1.823e-02 1.806e-02 8.854e-03 / CHEB/ -1.266e-02 -1.523e-02 -7.047e-03 2.115e-03 / CHEB/ -1.788e-02 -8.849e-03 -3.118e-03 -3.855e-04 /

1475.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.6	-4.0	-0.7	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-4.1	-0.7	+1.1

Chebyshev(coeffs=[[-5.50345,-0.153313,-0.0970989,-0.0464082],[11.8405,0.0910685,0.0559379,0.0257997],[0.596092,0.0363352,0.0239742,0.0117576],[0.140572,0.0238549,0.0150358,0.00701979],[0.0163866,-0.00350351,-0.00210264,-0.000814061],[-0.00657022,-0.00878376,-0.00553262,-0.00259711]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.94
S298 (cal/mol*K) = 2.01
G298 (kcal/mol) = 31.34

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(95); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.503e+00 -1.533e-01 -9.710e-02 -4.641e-02 / CHEB/ 1.184e+01 9.107e-02 5.594e-02 2.580e-02 / CHEB/ 5.961e-01 3.634e-02 2.397e-02 1.176e-02 / CHEB/ 1.406e-01 2.385e-02 1.504e-02 7.020e-03 / CHEB/ 1.639e-02 -3.504e-03 -2.103e-03 -8.141e-04 / CHEB/ -6.570e-03 -8.784e-03 -5.533e-03 -2.597e-03 /

1476.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-2.2	+1.4	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-2.3	+1.4	+3.3

Chebyshev(coeffs=[[-4.93341,-0.0830274,-0.0528764,-0.0253786],[13.6436,0.0417703,0.0255131,0.0115364],[0.448605,0.0311978,0.0203257,0.00987247],[0.119385,0.0121824,0.00791252,0.00392382],[0.00733487,-0.00588807,-0.00369807,-0.00167836],[-0.0111034,-0.00595609,-0.00373631,-0.00173025]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.09
S298 (cal/mol*K) = 18.02
G298 (kcal/mol) = 34.72

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H8(232); H(25), C2H3(100); C7H10(18)+H(25)(+M)=>C5H8(232)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.933e+00 -8.303e-02 -5.288e-02 -2.538e-02 / CHEB/ 1.364e+01 4.177e-02 2.551e-02 1.154e-02 / CHEB/ 4.486e-01 3.120e-02 2.033e-02 9.872e-03 / CHEB/ 1.194e-01 1.218e-02 7.913e-03 3.924e-03 / CHEB/ 7.335e-03 -5.888e-03 -3.698e-03 -1.678e-03 / CHEB/ -1.110e-02 -5.956e-03 -3.736e-03 -1.730e-03 /

1477.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-1.9	+1.1	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-2.0	+1.0	+2.7

Chebyshev(coeffs=[[-2.04584,-0.301759,-0.113964,-0.0102377],[9.77067,0.192521,0.0380087,-0.019822],[0.783092,0.0723777,0.04938,0.0128374],[0.172919,0.0254218,0.0156962,0.0086721],[0.0151775,-0.00400797,-0.00266279,-0.000417197],[-0.00955933,-0.00762625,-0.00289297,-0.000560715]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.74
S298 (cal/mol*K) = 0.91
G298 (kcal/mol) = 22.47

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(96); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.046e+00 -3.018e-01 -1.140e-01 -1.024e-02 / CHEB/ 9.771e+00 1.925e-01 3.801e-02 -1.982e-02 / CHEB/ 7.831e-01 7.238e-02 4.938e-02 1.284e-02 / CHEB/ 1.729e-01 2.542e-02 1.570e-02 8.672e-03 / CHEB/ 1.518e-02 -4.008e-03 -2.663e-03 -4.172e-04 / CHEB/ -9.559e-03 -7.626e-03 -2.893e-03 -5.607e-04 /

1478.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-2.2	+0.9	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-2.2	+0.9	+2.6

Chebyshev(coeffs=[[-2.28161,-0.110655,-0.0678752,-0.0314769],[9.82938,0.060116,0.0347106,0.0154805],[0.81343,0.0384565,0.0245597,0.0110093],[0.182986,0.0141598,0.00911017,0.00440822],[0.016466,-0.0075252,-0.00452294,-0.00178187],[-0.00880332,-0.00708692,-0.00434148,-0.00194153]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.74
S298 (cal/mol*K) = 0.91
G298 (kcal/mol) = 22.47

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(97); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.282e+00 -1.107e-01 -6.788e-02 -3.148e-02 / CHEB/ 9.829e+00 6.012e-02 3.471e-02 1.548e-02 / CHEB/ 8.134e-01 3.846e-02 2.456e-02 1.101e-02 / CHEB/ 1.830e-01 1.416e-02 9.110e-03 4.408e-03 / CHEB/ 1.647e-02 -7.525e-03 -4.523e-03 -1.782e-03 / CHEB/ -8.803e-03 -7.087e-03 -4.341e-03 -1.942e-03 /

1479.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-4.1	-0.5	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-4.1	-0.5	+1.5

Chebyshev(coeffs=[[-5.96844,-0.0937532,-0.0588241,-0.0277582],[12.5393,0.0486204,0.0290292,0.0129454],[0.705184,0.0342672,0.0221354,0.0104303],[0.180402,0.0130572,0.00845028,0.00416893],[0.0223382,-0.00655793,-0.00404764,-0.00174899],[-0.00649051,-0.0064385,-0.00400214,-0.00182973]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.14
S298 (cal/mol*K) = 1.59
G298 (kcal/mol) = 33.67

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(37); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.968e+00 -9.375e-02 -5.882e-02 -2.776e-02 / CHEB/ 1.254e+01 4.862e-02 2.903e-02 1.295e-02 / CHEB/ 7.052e-01 3.427e-02 2.214e-02 1.043e-02 / CHEB/ 1.804e-01 1.306e-02 8.450e-03 4.169e-03 / CHEB/ 2.234e-02 -6.558e-03 -4.048e-03 -1.749e-03 / CHEB/ -6.491e-03 -6.439e-03 -4.002e-03 -1.830e-03 /

1480.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.5	+4.8	+4.8	+4.8
log₁₀(k(10 bar)/[mole,m,s])	+4.3	+4.7	+4.8	+4.8

Chebyshev(coeffs=[[10.3844,-0.1904,-0.106523,-0.0473443],[0.447886,0.096798,0.0486253,0.022594],[0.00526138,0.0621796,0.0371675,0.0140128],[-0.00350142,0.0245552,0.0144989,0.00615397],[-0.0170692,-0.010337,-0.00531,-0.00115176],[-0.0145369,-0.0109284,-0.00618503,-0.00229367]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -88.28
S298 (cal/mol*K) = -33.11
G298 (kcal/mol) = -78.41

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(233); H(25), C7H11(233); C7H10(18)+H(25)(+M)=>C7H11(233)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.038e+01 -1.904e-01 -1.065e-01 -4.734e-02 / CHEB/ 4.479e-01 9.680e-02 4.863e-02 2.259e-02 / CHEB/ 5.261e-03 6.218e-02 3.717e-02 1.401e-02 / CHEB/ -3.501e-03 2.456e-02 1.450e-02 6.154e-03 / CHEB/ -1.707e-02 -1.034e-02 -5.310e-03 -1.152e-03 / CHEB/ -1.454e-02 -1.093e-02 -6.185e-03 -2.294e-03 /

1481.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+7.3	+7.0	+6.4	+5.9
log₁₀(k(10 bar)/[mole,m,s])	+7.7	+7.6	+7.2	+6.8

Chebyshev(coeffs=[[12.6988,1.28735,-0.261051,-0.0311525],[-0.326904,0.321284,0.0805449,-0.00809221],[-0.317206,0.204962,0.0658215,-0.00754849],[-0.189427,0.0929872,0.037681,0.00246187],[-0.062519,0.00214571,0.0101703,0.00856453],[-0.0127431,-0.0178064,-0.000769259,0.0051306]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -80.00
S298 (cal/mol*K) = -28.05
G298 (kcal/mol) = -71.64

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(234); H(25), C7H11(234); C7H10(18)+H(25)(+M)=>C7H11(234)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.270e+01 1.287e+00 -2.611e-01 -3.115e-02 / CHEB/ -3.269e-01 3.213e-01 8.054e-02 -8.092e-03 / CHEB/ -3.172e-01 2.050e-01 6.582e-02 -7.548e-03 / CHEB/ -1.894e-01 9.299e-02 3.768e-02 2.462e-03 / CHEB/ -6.252e-02 2.146e-03 1.017e-02 8.565e-03 / CHEB/ -1.274e-02 -1.781e-02 -7.693e-04 5.131e-03 /

1482.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+4.4	+4.7	+4.8
log₁₀(k(10 bar)/[mole,m,s])	+3.6	+4.3	+4.7	+4.8

Chebyshev(coeffs=[[9.7999,-0.186344,-0.104691,-0.0465937],[0.843876,0.098178,0.0497759,0.0230009],[0.158088,0.0605606,0.0363842,0.0138397],[0.0389239,0.0230942,0.013778,0.0058812],[-0.00884663,-0.0106003,-0.00550006,-0.00131292],[-0.0139832,-0.0106546,-0.00607586,-0.00230944]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -64.86
S298 (cal/mol*K) = -32.02
G298 (kcal/mol) = -55.32

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(235); H(25), C7H11(235); C7H10(18)+H(25)(+M)=>C7H11(235)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.800e+00 -1.863e-01 -1.047e-01 -4.659e-02 / CHEB/ 8.439e-01 9.818e-02 4.978e-02 2.300e-02 / CHEB/ 1.581e-01 6.056e-02 3.638e-02 1.384e-02 / CHEB/ 3.892e-02 2.309e-02 1.378e-02 5.881e-03 / CHEB/ -8.847e-03 -1.060e-02 -5.500e-03 -1.313e-03 / CHEB/ -1.398e-02 -1.065e-02 -6.076e-03 -2.309e-03 /

1483.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-2.2	+1.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-2.2	+1.0	+2.8

Chebyshev(coeffs=[[-3.27306,-0.0991845,-0.0617718,-0.0289542],[11.2433,0.0522081,0.0308263,0.0137169],[0.657659,0.0357127,0.0229775,0.0106521],[0.157805,0.0134467,0.00868479,0.00426505],[0.0124151,-0.00688271,-0.00421019,-0.00176823],[-0.0101782,-0.00666092,-0.00412102,-0.00187164]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.43
S298 (cal/mol*K) = 10.00
G298 (kcal/mol) = 18.45

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(236); H(25), CH2(T)(82); C7H10(18)+H(25)(+M)=>C6H9(236)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.273e+00 -9.918e-02 -6.177e-02 -2.895e-02 / CHEB/ 1.124e+01 5.221e-02 3.083e-02 1.372e-02 / CHEB/ 6.577e-01 3.571e-02 2.298e-02 1.065e-02 / CHEB/ 1.578e-01 1.345e-02 8.685e-03 4.265e-03 / CHEB/ 1.242e-02 -6.883e-03 -4.210e-03 -1.768e-03 / CHEB/ -1.018e-02 -6.661e-03 -4.121e-03 -1.872e-03 /

1484.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-5.5	-1.9	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-5.6	-1.9	+0.0

Chebyshev(coeffs=[[-7.26297,-0.0945181,-0.059222,-0.0279164],[12.3492,0.0498055,0.0296686,0.0132207],[0.737237,0.034307,0.0221767,0.0104344],[0.190428,0.0129096,0.00836841,0.0041426],[0.0292471,-0.00669676,-0.00412626,-0.00177427],[-0.0045103,-0.00646448,-0.00401762,-0.00183742]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.14
S298 (cal/mol*K) = -1.03
G298 (kcal/mol) = 33.45

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(237); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(237)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.263e+00 -9.452e-02 -5.922e-02 -2.792e-02 / CHEB/ 1.235e+01 4.981e-02 2.967e-02 1.322e-02 / CHEB/ 7.372e-01 3.431e-02 2.218e-02 1.043e-02 / CHEB/ 1.904e-01 1.291e-02 8.368e-03 4.143e-03 / CHEB/ 2.925e-02 -6.697e-03 -4.126e-03 -1.774e-03 / CHEB/ -4.510e-03 -6.464e-03 -4.018e-03 -1.837e-03 /

1485.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	-0.6	-0.1	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-1.8	-0.7	-0.2	+0.1

Chebyshev(coeffs=[[4.54135,-0.208731,-0.119209,-0.0542481],[1.26939,0.11258,0.0593236,0.0282849],[0.259587,0.0604058,0.0359792,0.0133851],[0.0575041,0.0216789,0.0125734,0.0051221],[-0.0130038,-0.0109366,-0.00570312,-0.00137368],[-0.0180619,-0.010308,-0.005759,-0.00207619]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.58
S298 (cal/mol*K) = -42.66
G298 (kcal/mol) = -46.87

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(1); H(25), H(25); C7H10(18)+H(25)(+M)=>C7H10(1)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.541e+00 -2.087e-01 -1.192e-01 -5.425e-02 / CHEB/ 1.269e+00 1.126e-01 5.932e-02 2.828e-02 / CHEB/ 2.596e-01 6.041e-02 3.598e-02 1.339e-02 / CHEB/ 5.750e-02 2.168e-02 1.257e-02 5.122e-03 / CHEB/ -1.300e-02 -1.094e-02 -5.703e-03 -1.374e-03 / CHEB/ -1.806e-02 -1.031e-02 -5.759e-03 -2.076e-03 /

1486.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	-0.7	+0.5	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-2.9	-0.8	+0.5	+1.2

Chebyshev(coeffs=[[3.82425,-0.194802,-0.112369,-0.051249],[2.54497,0.114553,0.0615399,0.0289645],[0.676178,0.054452,0.0328845,0.0124809],[0.16057,0.0180056,0.0107879,0.00447798],[0.00817328,-0.0111045,-0.00591824,-0.00165496],[-0.0165512,-0.00954473,-0.00546695,-0.00209774]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.75
S298 (cal/mol*K) = -22.02
G298 (kcal/mol) = -24.19

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(218); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(218)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.824e+00 -1.948e-01 -1.124e-01 -5.125e-02 / CHEB/ 2.545e+00 1.146e-01 6.154e-02 2.896e-02 / CHEB/ 6.762e-01 5.445e-02 3.288e-02 1.248e-02 / CHEB/ 1.606e-01 1.801e-02 1.079e-02 4.478e-03 / CHEB/ 8.173e-03 -1.110e-02 -5.918e-03 -1.655e-03 / CHEB/ -1.655e-02 -9.545e-03 -5.467e-03 -2.098e-03 /

1487.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.9	-2.1	-2.3	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-2.1	-1.2	-1.3	-1.8

Chebyshev(coeffs=[[3.06104,1.77444,-0.128914,-0.0590257],[0.613168,0.108871,0.0568331,0.0275171],[-0.0423934,0.0620293,0.0366673,0.0134144],[-0.186677,0.0257496,0.0148275,0.00615591],[-0.15012,-0.00916635,-0.00456287,-0.000641569],[-0.0554359,-0.0104,-0.0057264,-0.0018874]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -89.96
S298 (cal/mol*K) = -42.12
G298 (kcal/mol) = -77.41

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(40); H(25), C7H11(40); C7H10(18)+H(25)(+M)=>C7H11(40)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.061e+00 1.774e+00 -1.289e-01 -5.903e-02 / CHEB/ 6.132e-01 1.089e-01 5.683e-02 2.752e-02 / CHEB/ -4.239e-02 6.203e-02 3.667e-02 1.341e-02 / CHEB/ -1.867e-01 2.575e-02 1.483e-02 6.156e-03 / CHEB/ -1.501e-01 -9.166e-03 -4.563e-03 -6.416e-04 / CHEB/ -5.544e-02 -1.040e-02 -5.726e-03 -1.887e-03 /

1488.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	-0.2	+0.9	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-2.2	-0.3	+0.9	+1.5

Chebyshev(coeffs=[[4.4748,-0.197628,-0.113757,-0.0518552],[2.28887,0.11456,0.0613179,0.0289305],[0.603746,0.0557558,0.0335747,0.0126906],[0.144484,0.0186329,0.0110882,0.0045813],[0.00352127,-0.0111632,-0.00592307,-0.00162219],[-0.0173559,-0.00971407,-0.00553624,-0.00210354]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -79.41
S298 (cal/mol*K) = -45.21
G298 (kcal/mol) = -65.94

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(219); H(25), C7H11(219); C7H10(18)+H(25)(+M)=>C7H11(219)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.475e+00 -1.976e-01 -1.138e-01 -5.186e-02 / CHEB/ 2.289e+00 1.146e-01 6.132e-02 2.893e-02 / CHEB/ 6.037e-01 5.576e-02 3.357e-02 1.269e-02 / CHEB/ 1.445e-01 1.863e-02 1.109e-02 4.581e-03 / CHEB/ 3.521e-03 -1.116e-02 -5.923e-03 -1.622e-03 / CHEB/ -1.736e-02 -9.714e-03 -5.536e-03 -2.104e-03 /

1489.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+1.8	+2.1	+2.2
log₁₀(k(10 bar)/[mole,m,s])	+0.9	+1.8	+2.1	+2.2

Chebyshev(coeffs=[[7.11563,-0.211133,-0.12044,-0.0547928],[0.991104,0.111107,0.0583324,0.0278767],[0.145916,0.0607246,0.0360884,0.0133666],[0.0136657,0.022225,0.0128178,0.00520746],[-0.0288469,-0.0107595,-0.00560227,-0.00129797],[-0.0235417,-0.0103407,-0.00576187,-0.00204484]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -89.96
S298 (cal/mol*K) = -43.50
G298 (kcal/mol) = -77.00

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(220); H(25), C7H11(220); C7H10(18)+H(25)(+M)=>C7H11(220)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.116e+00 -2.111e-01 -1.204e-01 -5.479e-02 / CHEB/ 9.911e-01 1.111e-01 5.833e-02 2.788e-02 / CHEB/ 1.459e-01 6.072e-02 3.609e-02 1.337e-02 / CHEB/ 1.367e-02 2.222e-02 1.282e-02 5.207e-03 / CHEB/ -2.885e-02 -1.076e-02 -5.602e-03 -1.298e-03 / CHEB/ -2.354e-02 -1.034e-02 -5.762e-03 -2.045e-03 /

1490.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	-3.6	-1.9	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-3.7	-1.9	-0.9

Chebyshev(coeffs=[[-0.0856319,-0.174822,-0.102472,-0.0469214],[4.11514,0.107905,0.0593761,0.0275676],[0.959684,0.0465211,0.0285518,0.0112081],[0.172981,0.0158489,0.00986431,0.00423101],[-0.00389864,-0.0101077,-0.00558949,-0.00172404],[-0.0209996,-0.00864411,-0.00508988,-0.00205455]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.36
S298 (cal/mol*K) = -18.51
G298 (kcal/mol) = 1.16

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(28); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.563e-02 -1.748e-01 -1.025e-01 -4.692e-02 / CHEB/ 4.115e+00 1.079e-01 5.938e-02 2.757e-02 / CHEB/ 9.597e-01 4.652e-02 2.855e-02 1.121e-02 / CHEB/ 1.730e-01 1.585e-02 9.864e-03 4.231e-03 / CHEB/ -3.899e-03 -1.011e-02 -5.589e-03 -1.724e-03 / CHEB/ -2.100e-02 -8.644e-03 -5.090e-03 -2.055e-03 /

1491.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	-3.4	-1.9	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-6.3	-3.5	-1.9	-1.0

Chebyshev(coeffs=[[0.668225,-0.187422,-0.108741,-0.0496653],[3.28938,0.113393,0.0614833,0.0287703],[0.861502,0.0510455,0.0310532,0.0119207],[0.175097,0.0168053,0.0102349,0.00430425],[-0.00642251,-0.0107307,-0.00579193,-0.00168714],[-0.0215134,-0.00912197,-0.00529044,-0.00207574]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.21
S298 (cal/mol*K) = -28.60
G298 (kcal/mol) = -8.69

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(33); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.682e-01 -1.874e-01 -1.087e-01 -4.967e-02 / CHEB/ 3.289e+00 1.134e-01 6.148e-02 2.877e-02 / CHEB/ 8.615e-01 5.105e-02 3.105e-02 1.192e-02 / CHEB/ 1.751e-01 1.681e-02 1.023e-02 4.304e-03 / CHEB/ -6.423e-03 -1.073e-02 -5.792e-03 -1.687e-03 / CHEB/ -2.151e-02 -9.122e-03 -5.290e-03 -2.076e-03 /

1492.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-5.2	-2.9	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-5.3	-2.9	-1.5

Chebyshev(coeffs=[[-2.78115,-0.156542,-0.093044,-0.042793],[5.95361,0.094346,0.0527939,0.0243583],[1.08248,0.0439751,0.0271831,0.0110505],[0.205554,0.0152125,0.0096275,0.00423466],[0.00603395,-0.00948985,-0.0054151,-0.00179385],[-0.0183139,-0.008201,-0.00487783,-0.00202398]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.19
S298 (cal/mol*K) = -21.60
G298 (kcal/mol) = 12.63

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(32); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.781e+00 -1.565e-01 -9.304e-02 -4.279e-02 / CHEB/ 5.954e+00 9.435e-02 5.279e-02 2.436e-02 / CHEB/ 1.082e+00 4.398e-02 2.718e-02 1.105e-02 / CHEB/ 2.056e-01 1.521e-02 9.627e-03 4.235e-03 / CHEB/ 6.034e-03 -9.490e-03 -5.415e-03 -1.794e-03 / CHEB/ -1.831e-02 -8.201e-03 -4.878e-03 -2.024e-03 /

1493.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-5.9	-3.5	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-6.0	-3.6	-2.2

Chebyshev(coeffs=[[-3.51959,-0.1568,-0.0931789,-0.0428523],[6.02367,0.0945896,0.0529179,0.0244168],[1.10302,0.0439534,0.0271712,0.01104],[0.210951,0.0152384,0.00964062,0.00423923],[0.00804021,-0.0095027,-0.00542037,-0.00179448],[-0.0176636,-0.0082055,-0.00488005,-0.00202426]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.19
S298 (cal/mol*K) = -22.98
G298 (kcal/mol) = 13.04

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(34); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.520e+00 -1.568e-01 -9.318e-02 -4.285e-02 / CHEB/ 6.024e+00 9.459e-02 5.292e-02 2.442e-02 / CHEB/ 1.103e+00 4.395e-02 2.717e-02 1.104e-02 / CHEB/ 2.110e-01 1.524e-02 9.641e-03 4.239e-03 / CHEB/ 8.040e-03 -9.503e-03 -5.420e-03 -1.794e-03 / CHEB/ -1.766e-02 -8.205e-03 -4.880e-03 -2.024e-03 /

1494.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.6	-1.4	-0.8	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-2.7	-1.4	-0.8	-0.5

Chebyshev(coeffs=[[3.71289,-0.205325,-0.117567,-0.0535239],[1.43761,0.113045,0.0598739,0.0284495],[0.343131,0.0587921,0.0351276,0.0131271],[0.069515,0.0206075,0.0120354,0.0049178],[-0.0174189,-0.0110441,-0.00579962,-0.00147057],[-0.0213857,-0.0101131,-0.00569119,-0.00209294]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.05
S298 (cal/mol*K) = -43.82
G298 (kcal/mol) = -57.00

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(221); H(25), C7H11(221); C7H10(18)+H(25)(+M)=>C7H11(221)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.713e+00 -2.053e-01 -1.176e-01 -5.352e-02 / CHEB/ 1.438e+00 1.130e-01 5.987e-02 2.845e-02 / CHEB/ 3.431e-01 5.879e-02 3.513e-02 1.313e-02 / CHEB/ 6.951e-02 2.061e-02 1.204e-02 4.918e-03 / CHEB/ -1.742e-02 -1.104e-02 -5.800e-03 -1.471e-03 / CHEB/ -2.139e-02 -1.011e-02 -5.691e-03 -2.093e-03 /

1515.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.5	+4.4	+5.4	+5.7
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+4.8	+6.1	+6.5

Chebyshev(coeffs=[[6.6811,0.118291,-0.255617,0.023528],[4.93234,1.41008,-0.0970117,-0.0869236],[0.148556,0.193209,0.142656,-0.021546],[-0.114003,0.0394471,0.0612771,0.0158473],[-0.0797936,0.00513558,0.0151225,0.0131114],[-0.045656,-0.00584832,-0.000759647,0.00591111]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = 17.81
G298 (kcal/mol) = -5.95

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(307); H(25), C7H11(307); C7H10(1)+H(25)(+M)=>C7H11(307)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.681e+00 1.183e-01 -2.556e-01 2.353e-02 / CHEB/ 4.932e+00 1.410e+00 -9.701e-02 -8.692e-02 / CHEB/ 1.486e-01 1.932e-01 1.427e-01 -2.155e-02 / CHEB/ -1.140e-01 3.945e-02 6.128e-02 1.585e-02 / CHEB/ -7.979e-02 5.136e-03 1.512e-02 1.311e-02 / CHEB/ -4.566e-02 -5.848e-03 -7.596e-04 5.911e-03 /

1516.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+3.6	+5.0	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-0.6	+3.0	+4.6	+5.5

Chebyshev(coeffs=[[6.9002,-1.65375,-0.203624,-0.0233493],[3.92409,1.26829,-0.137515,-0.0429979],[0.570805,0.049625,0.129609,-0.00326697],[0.136598,0.0711475,0.0707779,0.00752174],[0.0117861,0.0705401,0.0216993,0.00782928],[-0.0206737,0.0224969,0.00377636,0.00396023]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.75
S298 (cal/mol*K) = 16.79
G298 (kcal/mol) = -11.75

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(308); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(308)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.900e+00 -1.654e+00 -2.036e-01 -2.335e-02 / CHEB/ 3.924e+00 1.268e+00 -1.375e-01 -4.300e-02 / CHEB/ 5.708e-01 4.962e-02 1.296e-01 -3.267e-03 / CHEB/ 1.366e-01 7.115e-02 7.078e-02 7.522e-03 / CHEB/ 1.179e-02 7.054e-02 2.170e-02 7.829e-03 / CHEB/ -2.067e-02 2.250e-02 3.776e-03 3.960e-03 /

1517.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.7	+3.7	+4.5	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+2.8	+4.1	+4.9

Chebyshev(coeffs=[[7.5714,-2.83195,-0.206252,0.0168302],[2.90632,2.28043,-0.194055,-0.079635],[0.151785,0.318898,0.16032,-0.0105146],[0.0880566,0.0316391,0.0948274,0.00872849],[0.0838774,-0.0045337,0.0205187,0.00544556],[0.0347979,-0.00616426,-0.00471034,0.00112627]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -51.65
S298 (cal/mol*K) = -5.12
G298 (kcal/mol) = -50.12

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(309); H(25), C7H11(309); C7H10(1)+H(25)(+M)=>C7H11(309)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.571e+00 -2.832e+00 -2.063e-01 1.683e-02 / CHEB/ 2.906e+00 2.280e+00 -1.941e-01 -7.964e-02 / CHEB/ 1.518e-01 3.189e-01 1.603e-01 -1.051e-02 / CHEB/ 8.806e-02 3.164e-02 9.483e-02 8.728e-03 / CHEB/ 8.388e-02 -4.534e-03 2.052e-02 5.446e-03 / CHEB/ 3.480e-02 -6.164e-03 -4.710e-03 1.126e-03 /

1518.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+3.7	+4.1	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+3.3	+4.2	+4.6

Chebyshev(coeffs=[[7.35488,-1.7505,-0.474485,-0.0578804],[2.46257,2.59075,-0.15405,-0.0632882],[-0.0902254,0.343721,0.136038,0.0119033],[0.00305801,0.0702462,0.102934,0.00443051],[0.0171802,0.0460426,0.050532,0.00429991],[-0.0388373,0.0330971,0.0138243,0.00361376]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.60
S298 (cal/mol*K) = 3.01
G298 (kcal/mol) = -37.49

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(310); H(25), C7H11(310); C7H10(1)+H(25)(+M)=>C7H11(310)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.355e+00 -1.750e+00 -4.745e-01 -5.788e-02 / CHEB/ 2.463e+00 2.591e+00 -1.541e-01 -6.329e-02 / CHEB/ -9.023e-02 3.437e-01 1.360e-01 1.190e-02 / CHEB/ 3.058e-03 7.025e-02 1.029e-01 4.431e-03 / CHEB/ 1.718e-02 4.604e-02 5.053e-02 4.300e-03 / CHEB/ -3.884e-02 3.310e-02 1.382e-02 3.614e-03 /

1519.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+1.7	+3.6	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-3.9	+1.2	+3.3	+4.5

Chebyshev(coeffs=[[3.45121,-1.24978,-0.301059,-0.0412717],[6.33495,0.894602,0.0211798,-0.0270618],[0.603941,0.0422094,0.110747,-9.55995e-05],[0.10546,0.0959123,0.043377,0.0145488],[0.00762891,0.0677984,0.0219463,0.00508353],[-0.0100349,0.0113639,0.0078133,0.00169376]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.05
S298 (cal/mol*K) = 0.38
G298 (kcal/mol) = -26.16

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(311); H(25), C7H11(311); C7H10(1)+H(25)(+M)=>C7H11(311)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.451e+00 -1.250e+00 -3.011e-01 -4.127e-02 / CHEB/ 6.335e+00 8.946e-01 2.118e-02 -2.706e-02 / CHEB/ 6.039e-01 4.221e-02 1.107e-01 -9.560e-05 / CHEB/ 1.055e-01 9.591e-02 4.338e-02 1.455e-02 / CHEB/ 7.629e-03 6.780e-02 2.195e-02 5.084e-03 / CHEB/ -1.003e-02 1.136e-02 7.813e-03 1.694e-03 /

1520.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+3.2	+4.0	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+2.5	+3.6	+4.2

Chebyshev(coeffs=[[7.14495,-1.86235,-0.165954,-0.0210467],[2.75907,1.33268,-0.215781,-0.0448889],[0.250077,0.0907179,0.103826,-0.00736738],[0.0771332,0.0793699,0.0817695,-0.00124719],[0.00784623,0.0653288,0.0314236,0.0058737],[-0.0252495,0.0251281,0.00515437,0.00535252]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.60
S298 (cal/mol*K) = 3.47
G298 (kcal/mol) = -37.63

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(312); H(25), C7H11(312); C7H10(1)+H(25)(+M)=>C7H11(312)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.145e+00 -1.862e+00 -1.660e-01 -2.105e-02 / CHEB/ 2.759e+00 1.333e+00 -2.158e-01 -4.489e-02 / CHEB/ 2.501e-01 9.072e-02 1.038e-01 -7.367e-03 / CHEB/ 7.713e-02 7.937e-02 8.177e-02 -1.247e-03 / CHEB/ 7.846e-03 6.533e-02 3.142e-02 5.874e-03 / CHEB/ -2.525e-02 2.513e-02 5.154e-03 5.353e-03 /

1521.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.5	+3.7	+4.2	+4.1
log₁₀(k(10 bar)/[mole,m,s])	+1.1	+3.7	+4.6	+4.8

Chebyshev(coeffs=[[7.50286,-0.56226,-0.361715,-0.0546113],[2.34828,1.79572,-0.128642,-0.0588167],[0.176175,0.109719,0.104161,0.0198219],[-6.71104e-05,0.0914065,0.0830133,-0.000730599],[-0.0846771,0.0857008,0.0482936,0.00157806],[-0.0930882,0.0350003,0.0157044,0.00640108]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.05
S298 (cal/mol*K) = 0.38
G298 (kcal/mol) = -26.16

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(313); H(25), C7H11(313); C7H10(1)+H(25)(+M)=>C7H11(313)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.503e+00 -5.623e-01 -3.617e-01 -5.461e-02 / CHEB/ 2.348e+00 1.796e+00 -1.286e-01 -5.882e-02 / CHEB/ 1.762e-01 1.097e-01 1.042e-01 1.982e-02 / CHEB/ -6.711e-05 9.141e-02 8.301e-02 -7.306e-04 / CHEB/ -8.468e-02 8.570e-02 4.829e-02 1.578e-03 / CHEB/ -9.309e-02 3.500e-02 1.570e-02 6.401e-03 /

1522.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.3	+4.2	+4.1	+3.7
log₁₀(k(10 bar)/[mole,m,s])	+2.3	+4.0	+4.3	+4.3

Chebyshev(coeffs=[[8.77096,-1.30848,-0.260841,-0.00862338],[1.13372,2.11254,-0.290848,-0.0697333],[-0.358956,0.332218,0.0991726,-0.00235794],[-0.0803745,0.0843259,0.0865149,0.00434692],[-0.0214537,0.0315964,0.0333681,0.00175375],[-0.0493594,0.0188181,0.00792202,-0.00138696]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.30
S298 (cal/mol*K) = -5.24
G298 (kcal/mol) = -48.73

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(314); H(25), C7H11(314); C7H10(1)+H(25)(+M)=>C7H11(314)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.771e+00 -1.308e+00 -2.608e-01 -8.623e-03 / CHEB/ 1.134e+00 2.113e+00 -2.908e-01 -6.973e-02 / CHEB/ -3.590e-01 3.322e-01 9.917e-02 -2.358e-03 / CHEB/ -8.037e-02 8.433e-02 8.651e-02 4.347e-03 / CHEB/ -2.145e-02 3.160e-02 3.337e-02 1.754e-03 / CHEB/ -4.936e-02 1.882e-02 7.922e-03 -1.387e-03 /

1523.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-2.7	+0.6	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-3.1	+0.5	+2.4

Chebyshev(coeffs=[[-5.18478,-0.531809,-0.272287,-0.08885],[12.9954,0.225219,0.105528,0.0323129],[0.386092,0.0918667,0.042544,0.00932484],[0.136774,0.0963398,0.0437191,0.00690168],[0.0505503,0.0456687,0.0231386,0.00519099],[0.0174653,-0.000492784,0.00288174,0.00279247]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.62
S298 (cal/mol*K) = 22.62
G298 (kcal/mol) = 29.88

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(315); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(315)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.185e+00 -5.318e-01 -2.723e-01 -8.885e-02 / CHEB/ 1.300e+01 2.252e-01 1.055e-01 3.231e-02 / CHEB/ 3.861e-01 9.187e-02 4.254e-02 9.325e-03 / CHEB/ 1.368e-01 9.634e-02 4.372e-02 6.902e-03 / CHEB/ 5.055e-02 4.567e-02 2.314e-02 5.191e-03 / CHEB/ 1.747e-02 -4.928e-04 2.882e-03 2.792e-03 /

1524.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.3	-6.5	-1.3	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-21.5	-6.7	-1.4	+1.4

Chebyshev(coeffs=[[-14.1048,-0.238747,-0.134771,-0.052974],[21.0667,0.0468775,0.0217792,0.00753355],[0.192354,0.0604489,0.0286834,0.00560982],[0.108695,0.0596048,0.0323642,0.0103987],[0.0574158,0.0240471,0.0158091,0.00718286],[0.0246965,-0.00290655,0.000488898,0.00185444]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 64.50
S298 (cal/mol*K) = 34.14
G298 (kcal/mol) = 54.33

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(316); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(316)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.410e+01 -2.387e-01 -1.348e-01 -5.297e-02 / CHEB/ 2.107e+01 4.688e-02 2.178e-02 7.534e-03 / CHEB/ 1.924e-01 6.045e-02 2.868e-02 5.610e-03 / CHEB/ 1.087e-01 5.960e-02 3.236e-02 1.040e-02 / CHEB/ 5.742e-02 2.405e-02 1.581e-02 7.183e-03 / CHEB/ 2.470e-02 -2.907e-03 4.889e-04 1.854e-03 /

1525.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.3	-6.5	-1.4	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-21.4	-6.7	-1.5	+1.3

Chebyshev(coeffs=[[-14.0639,-0.232333,-0.131456,-0.0520054],[20.9863,0.0449481,0.0213584,0.00795432],[0.161651,0.0591619,0.0277953,0.00514668],[0.0999571,0.0590175,0.0319773,0.0101918],[0.0543303,0.0235299,0.0155824,0.00717038],[0.0234928,-0.00330507,0.000280143,0.0018049]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 64.50
S298 (cal/mol*K) = 34.60
G298 (kcal/mol) = 54.19

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(317); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(317)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.406e+01 -2.323e-01 -1.315e-01 -5.201e-02 / CHEB/ 2.099e+01 4.495e-02 2.136e-02 7.954e-03 / CHEB/ 1.617e-01 5.916e-02 2.780e-02 5.147e-03 / CHEB/ 9.996e-02 5.902e-02 3.198e-02 1.019e-02 / CHEB/ 5.433e-02 2.353e-02 1.558e-02 7.170e-03 / CHEB/ 2.349e-02 -3.305e-03 2.801e-04 1.805e-03 /

1526.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.5	-5.2	-0.8	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-17.7	-5.4	-1.0	+1.4

Chebyshev(coeffs=[[-10.4919,-0.351402,-0.192301,-0.0736371],[17.4382,0.113127,0.0566818,0.0234638],[0.272832,0.0712845,0.0338881,0.00716946],[0.115197,0.0777492,0.0388655,0.00916963],[0.0460489,0.0344753,0.0196981,0.00638055],[0.0209007,-0.00266607,0.00110393,0.00224642]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.80
S298 (cal/mol*K) = 25.89
G298 (kcal/mol) = 43.09

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(78); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(78)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.049e+01 -3.514e-01 -1.923e-01 -7.364e-02 / CHEB/ 1.744e+01 1.131e-01 5.668e-02 2.346e-02 / CHEB/ 2.728e-01 7.128e-02 3.389e-02 7.169e-03 / CHEB/ 1.152e-01 7.775e-02 3.887e-02 9.170e-03 / CHEB/ 4.605e-02 3.448e-02 1.970e-02 6.381e-03 / CHEB/ 2.090e-02 -2.666e-03 1.104e-03 2.246e-03 /

1527.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.8	-9.6	-3.6	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-26.9	-9.7	-3.6	-0.4

Chebyshev(coeffs=[[-19.3051,-0.176021,-0.102485,-0.0415858],[24.4279,0.0277829,0.0129929,0.0034179],[0.226454,0.0466895,0.022199,0.00420998],[0.116461,0.0435649,0.024797,0.00916852],[0.0582554,0.0165222,0.0120964,0.00669794],[0.0237882,-0.00232809,0.000387784,0.00159901]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 75.05
S298 (cal/mol*K) = 31.51
G298 (kcal/mol) = 65.66

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(318); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(318)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.931e+01 -1.760e-01 -1.025e-01 -4.159e-02 / CHEB/ 2.443e+01 2.778e-02 1.299e-02 3.418e-03 / CHEB/ 2.265e-01 4.669e-02 2.220e-02 4.210e-03 / CHEB/ 1.165e-01 4.356e-02 2.480e-02 9.169e-03 / CHEB/ 5.826e-02 1.652e-02 1.210e-02 6.698e-03 / CHEB/ 2.379e-02 -2.328e-03 3.878e-04 1.599e-03 /

1528.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.1	-8.7	-2.7	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-26.2	-8.9	-2.8	+0.3

Chebyshev(coeffs=[[-18.6103,-0.227669,-0.136363,-0.0585357],[24.551,0.0552696,0.0305299,0.0116979],[0.205178,0.0410802,0.0191559,0.00330109],[0.0955509,0.0498242,0.028641,0.0108597],[0.0464105,0.0241837,0.0170245,0.00907504],[0.0139601,0.00127858,0.00270378,0.00271095]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 75.05
S298 (cal/mol*K) = 31.51
G298 (kcal/mol) = 65.66

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(319); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(319)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.861e+01 -2.277e-01 -1.364e-01 -5.854e-02 / CHEB/ 2.455e+01 5.527e-02 3.053e-02 1.170e-02 / CHEB/ 2.052e-01 4.108e-02 1.916e-02 3.301e-03 / CHEB/ 9.555e-02 4.982e-02 2.864e-02 1.086e-02 / CHEB/ 4.641e-02 2.418e-02 1.702e-02 9.075e-03 / CHEB/ 1.396e-02 1.279e-03 2.704e-03 2.711e-03 /

1529.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.7	+0.7	+1.4	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-1.8	+0.9	+2.0	+2.3

Chebyshev(coeffs=[[4.59663,0.111379,-0.163389,-0.0222012],[2.52171,1.35202,-0.214579,-0.0408016],[0.324119,0.0856965,0.0973952,-0.00602428],[0.0509119,0.0775251,0.0810433,-0.00156978],[-0.0897972,0.063842,0.0317282,0.00470187],[-0.0988422,0.02431,0.00498539,0.00477617]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.72
S298 (cal/mol*K) = -5.04
G298 (kcal/mol) = -13.22

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(320); H(25), C7H11(320); C7H10(1)+H(25)(+M)=>C7H11(320)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.597e+00 1.114e-01 -1.634e-01 -2.220e-02 / CHEB/ 2.522e+00 1.352e+00 -2.146e-01 -4.080e-02 / CHEB/ 3.241e-01 8.570e-02 9.740e-02 -6.024e-03 / CHEB/ 5.091e-02 7.753e-02 8.104e-02 -1.570e-03 / CHEB/ -8.980e-02 6.384e-02 3.173e-02 4.702e-03 / CHEB/ -9.884e-02 2.431e-02 4.985e-03 4.776e-03 /

1530.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+3.7	+3.9	+3.8
log₁₀(k(10 bar)/[mole,m,s])	+2.6	+4.2	+4.6	+4.6

Chebyshev(coeffs=[[8.42061,0.563292,0.123739,0.0334057],[1.54262,1.10638,-0.353919,-0.0357964],[-0.15013,0.063748,0.0529558,-0.0164365],[-0.0539142,0.0171172,0.0534877,-0.00856604],[-0.0377065,0.0211541,0.019643,-0.000775043],[-0.0466115,0.0157276,0.0026207,0.00193085]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.87
S298 (cal/mol*K) = 0.22
G298 (kcal/mol) = -23.93

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(321); H(25), C7H11(321); C7H10(1)+H(25)(+M)=>C7H11(321)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.421e+00 5.633e-01 1.237e-01 3.341e-02 / CHEB/ 1.543e+00 1.106e+00 -3.539e-01 -3.580e-02 / CHEB/ -1.501e-01 6.375e-02 5.296e-02 -1.644e-02 / CHEB/ -5.391e-02 1.712e-02 5.349e-02 -8.566e-03 / CHEB/ -3.771e-02 2.115e-02 1.964e-02 -7.750e-04 / CHEB/ -4.661e-02 1.573e-02 2.621e-03 1.931e-03 /

1531.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.6	-5.0	-0.3	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-18.8	-5.2	-0.4	+2.1

Chebyshev(coeffs=[[-11.5173,-0.270552,-0.151028,-0.0593695],[19.2966,0.0597913,0.029,0.0123075],[0.162315,0.0655367,0.0307784,0.0058247],[0.0992973,0.067983,0.0357473,0.0102655],[0.0533402,0.0281415,0.0175197,0.00706781],[0.0231956,-0.00339068,0.000428249,0.00193107]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.43
S298 (cal/mol*K) = 33.28
G298 (kcal/mol) = 40.52

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(322); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>CH2(T)(82)+C6H9(322)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.152e+01 -2.706e-01 -1.510e-01 -5.937e-02 / CHEB/ 1.930e+01 5.979e-02 2.900e-02 1.231e-02 / CHEB/ 1.623e-01 6.554e-02 3.078e-02 5.825e-03 / CHEB/ 9.930e-02 6.798e-02 3.575e-02 1.027e-02 / CHEB/ 5.334e-02 2.814e-02 1.752e-02 7.068e-03 / CHEB/ 2.320e-02 -3.391e-03 4.282e-04 1.931e-03 /

1532.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.1	-10.5	-4.4	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-28.2	-10.6	-4.4	-1.1

Chebyshev(coeffs=[[-20.5286,-0.168751,-0.0986531,-0.040261],[24.9064,0.028446,0.0135225,0.00356687],[0.277614,0.044937,0.0214998,0.00418232],[0.137723,0.0408912,0.0234975,0.00890337],[0.0700514,0.0150175,0.0112751,0.00647405],[0.0268476,-0.00243079,0.00025284,0.0015036]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.25
S298 (cal/mol*K) = 28.17
G298 (kcal/mol) = 67.86

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(323); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(323)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.053e+01 -1.688e-01 -9.865e-02 -4.026e-02 / CHEB/ 2.491e+01 2.845e-02 1.352e-02 3.567e-03 / CHEB/ 2.776e-01 4.494e-02 2.150e-02 4.182e-03 / CHEB/ 1.377e-01 4.089e-02 2.350e-02 8.903e-03 / CHEB/ 7.005e-02 1.502e-02 1.128e-02 6.474e-03 / CHEB/ 2.685e-02 -2.431e-03 2.528e-04 1.504e-03 /

1543.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+3.2	+4.9	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+2.9	+4.7	+5.6

Chebyshev(coeffs=[[5.91309,-0.891058,-0.0248568,0.030037],[5.03727,0.761161,-0.141256,-0.0459616],[0.650539,-0.00145649,0.0887856,-0.0138117],[0.0610508,0.0240928,0.02706,0.00895952],[-0.0428315,0.037317,0.00405918,0.00376428],[-0.038054,0.00979291,0.00371293,0.000237704]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.96
S298 (cal/mol*K) = 19.86
G298 (kcal/mol) = -3.96

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(65); H(25), H(25); C7H10(1)+H(25)(+M)=>C7H10(65)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.913e+00 -8.911e-01 -2.486e-02 3.004e-02 / CHEB/ 5.037e+00 7.612e-01 -1.413e-01 -4.596e-02 / CHEB/ 6.505e-01 -1.456e-03 8.879e-02 -1.381e-02 / CHEB/ 6.105e-02 2.409e-02 2.706e-02 8.960e-03 / CHEB/ -4.283e-02 3.732e-02 4.059e-03 3.764e-03 / CHEB/ -3.805e-02 9.793e-03 3.713e-03 2.377e-04 /

1544.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.6	-7.1	-1.9	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-22.6	-7.2	-1.9	+0.7

Chebyshev(coeffs=[[-15.2482,-0.10014,-0.0468324,-0.0105677],[21.8316,0.0265498,0.00866404,0.000194997],[0.090948,0.0402244,0.0159312,-0.000485595],[0.0294735,0.0254574,0.0124433,0.00261859],[-8.75097e-05,0.00561439,0.00557227,0.00379052],[0.000630133,-0.00383752,3.84132e-05,0.00184498]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 68.07
S298 (cal/mol*K) = 32.86
G298 (kcal/mol) = 58.28

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(35); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.525e+01 -1.001e-01 -4.683e-02 -1.057e-02 / CHEB/ 2.183e+01 2.655e-02 8.664e-03 1.950e-04 / CHEB/ 9.095e-02 4.022e-02 1.593e-02 -4.856e-04 / CHEB/ 2.947e-02 2.546e-02 1.244e-02 2.619e-03 / CHEB/ -8.751e-05 5.614e-03 5.572e-03 3.791e-03 / CHEB/ 6.301e-04 -3.838e-03 3.841e-05 1.845e-03 /

1545.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.7	-11.8	-5.2	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-30.7	-11.9	-5.2	-1.8

Chebyshev(coeffs=[[-22.6882,-0.0154238,-0.0102831,-0.00535792],[26.2712,-0.00201536,-0.0016194,-0.00104927],[0.465842,-0.00257784,-0.00195038,-0.00120203],[0.114826,0.000127544,3.67777e-05,-2.03891e-05],[0.00267528,0.00204343,0.00145681,0.000826635],[-0.00902176,0.00213454,0.00150875,0.000849786]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.62
S298 (cal/mol*K) = 29.77
G298 (kcal/mol) = 69.75

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(324); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(324)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.269e+01 -1.542e-02 -1.028e-02 -5.358e-03 / CHEB/ 2.627e+01 -2.015e-03 -1.619e-03 -1.049e-03 / CHEB/ 4.658e-01 -2.578e-03 -1.950e-03 -1.202e-03 / CHEB/ 1.148e-01 1.275e-04 3.678e-05 -2.039e-05 / CHEB/ 2.675e-03 2.043e-03 1.457e-03 8.266e-04 / CHEB/ -9.022e-03 2.135e-03 1.509e-03 8.498e-04 /

1546.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-0.6	+1.6	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-0.8	+1.5	+2.7

Chebyshev(coeffs=[[0.540696,-0.640168,-0.160838,-0.00700397],[7.54561,0.560195,0.07861,-0.0188606],[0.616684,-0.0107007,0.0255853,0.00252765],[0.047501,0.0158305,0.0170994,0.00662266],[-0.0203304,0.0248084,0.00310975,0.000506392],[-0.018178,0.00536224,0.0036769,-5.42441e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.76
S298 (cal/mol*K) = -3.18
G298 (kcal/mol) = -18.81

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(325); H(25), C7H11(325); C7H10(1)+H(25)(+M)=>C7H11(325)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.407e-01 -6.402e-01 -1.608e-01 -7.004e-03 / CHEB/ 7.546e+00 5.602e-01 7.861e-02 -1.886e-02 / CHEB/ 6.167e-01 -1.070e-02 2.559e-02 2.528e-03 / CHEB/ 4.750e-02 1.583e-02 1.710e-02 6.623e-03 / CHEB/ -2.033e-02 2.481e-02 3.110e-03 5.064e-04 / CHEB/ -1.818e-02 5.362e-03 3.677e-03 -5.424e-05 /

1547.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+4.5	+4.6	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+1.1	+4.4	+5.1	+5.0

Chebyshev(coeffs=[[7.79236,-0.73121,-0.295774,-0.0229589],[2.88954,1.67537,-0.0297597,-0.0324381],[-0.139307,0.524953,0.0449054,-0.019293],[-0.310129,0.140908,0.0349522,0.00488825],[-0.145729,0.04049,0.0217562,0.00128027],[-0.0390276,0.00898564,0.0203805,-0.000973292]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.59
S298 (cal/mol*K) = 15.21
G298 (kcal/mol) = -31.12

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(326); H(25), C7H11(326); C7H10(1)+H(25)(+M)=>C7H11(326)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.792e+00 -7.312e-01 -2.958e-01 -2.296e-02 / CHEB/ 2.890e+00 1.675e+00 -2.976e-02 -3.244e-02 / CHEB/ -1.393e-01 5.250e-01 4.491e-02 -1.929e-02 / CHEB/ -3.101e-01 1.409e-01 3.495e-02 4.888e-03 / CHEB/ -1.457e-01 4.049e-02 2.176e-02 1.280e-03 / CHEB/ -3.903e-02 8.986e-03 2.038e-02 -9.733e-04 /

1548.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+3.0	+3.8	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-2.2	+1.8	+3.3	+4.2

Chebyshev(coeffs=[[6.09514,-3.74458,-0.303846,0.0486847],[3.84482,2.97821,-0.171808,-0.094688],[0.170449,0.44221,0.224507,-0.00551273],[0.0288726,-0.0135847,0.094434,0.0138312],[0.0685299,-0.0256823,5.24526e-05,-0.00257614],[0.0294232,0.00172291,-0.0173725,-0.00770934]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.20
S298 (cal/mol*K) = 2.28
G298 (kcal/mol) = -34.88

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(327); H(25), C7H11(327); C7H10(1)+H(25)(+M)=>C7H11(327)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.095e+00 -3.745e+00 -3.038e-01 4.868e-02 / CHEB/ 3.845e+00 2.978e+00 -1.718e-01 -9.469e-02 / CHEB/ 1.704e-01 4.422e-01 2.245e-01 -5.513e-03 / CHEB/ 2.887e-02 -1.358e-02 9.443e-02 1.383e-02 / CHEB/ 6.853e-02 -2.568e-02 5.245e-05 -2.576e-03 / CHEB/ 2.942e-02 1.723e-03 -1.737e-02 -7.709e-03 /

1549.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.0	-14.1	-7.0	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-34.0	-14.1	-7.0	-3.4

Chebyshev(coeffs=[[-25.8242,-0.0131546,-0.00876482,-0.00455575],[27.7082,-0.00220132,-0.0017323,-0.00110862],[0.572874,-0.0023668,-0.00179126,-0.00110701],[0.144077,0.000150331,6.61193e-05,6.13169e-06],[0.0116353,0.00181517,0.00130353,0.000748694],[-0.00602151,0.00188099,0.0013323,0.000753837]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.47
S298 (cal/mol*K) = 21.68
G298 (kcal/mol) = 76.01

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(328); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(328)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.582e+01 -1.315e-02 -8.765e-03 -4.556e-03 / CHEB/ 2.771e+01 -2.201e-03 -1.732e-03 -1.109e-03 / CHEB/ 5.729e-01 -2.367e-03 -1.791e-03 -1.107e-03 / CHEB/ 1.441e-01 1.503e-04 6.612e-05 6.132e-06 / CHEB/ 1.164e-02 1.815e-03 1.304e-03 7.487e-04 / CHEB/ -6.022e-03 1.881e-03 1.332e-03 7.538e-04 /

1592.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.7	-7.3	-2.2	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-22.7	-7.4	-2.2	+0.3

Chebyshev(coeffs=[[-15.3833,-0.100786,-0.0471156,-0.0105882],[21.6887,0.0258857,0.00839642,0.000215165],[0.0391734,0.0405196,0.0161445,-0.000353355],[0.00290973,0.0263628,0.0129751,0.00283456],[-0.0147306,0.00659448,0.00614582,0.00401555],[-0.00725727,-0.00312091,0.000462978,0.00201413]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 68.07
S298 (cal/mol*K) = 31.48
G298 (kcal/mol) = 58.69

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(31); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.538e+01 -1.008e-01 -4.712e-02 -1.059e-02 / CHEB/ 2.169e+01 2.589e-02 8.396e-03 2.152e-04 / CHEB/ 3.917e-02 4.052e-02 1.614e-02 -3.534e-04 / CHEB/ 2.910e-03 2.636e-02 1.298e-02 2.835e-03 / CHEB/ -1.473e-02 6.594e-03 6.146e-03 4.016e-03 / CHEB/ -7.257e-03 -3.121e-03 4.630e-04 2.014e-03 /

1593.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.1	-10.3	-4.4	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-28.2	-10.4	-4.4	-1.4

Chebyshev(coeffs=[[-20.5741,-0.0821392,-0.0407471,-0.0100827],[25.0493,0.0245031,0.0103222,0.00122234],[0.0863069,0.036465,0.0154833,0.000719834],[0.021416,0.0194209,0.00993054,0.00260014],[-0.00603127,0.0023389,0.00369703,0.00338418],[-0.00262719,-0.00362836,-0.00026087,0.00150469]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.62
S298 (cal/mol*K) = 29.77
G298 (kcal/mol) = 69.75

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(30); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.057e+01 -8.214e-02 -4.075e-02 -1.008e-02 / CHEB/ 2.505e+01 2.450e-02 1.032e-02 1.222e-03 / CHEB/ 8.631e-02 3.646e-02 1.548e-02 7.198e-04 / CHEB/ 2.142e-02 1.942e-02 9.931e-03 2.600e-03 / CHEB/ -6.031e-03 2.339e-03 3.697e-03 3.384e-03 / CHEB/ -2.627e-03 -3.628e-03 -2.609e-04 1.505e-03 /

1594.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.1	-10.3	-4.4	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-28.2	-10.4	-4.4	-1.4

H298 (kcal/mol) = 78.62
S298 (cal/mol*K) = 29.77
G298 (kcal/mol) = 69.75

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(29); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.057e+01 -8.214e-02 -4.075e-02 -1.008e-02 / CHEB/ 2.505e+01 2.450e-02 1.032e-02 1.222e-03 / CHEB/ 8.631e-02 3.646e-02 1.548e-02 7.198e-04 / CHEB/ 2.142e-02 1.942e-02 9.931e-03 2.600e-03 / CHEB/ -6.031e-03 2.339e-03 3.697e-03 3.384e-03 / CHEB/ -2.627e-03 -3.628e-03 -2.609e-04 1.505e-03 /

1595.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+1.8	+2.5	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+2.4	+3.2	+3.4

Chebyshev(coeffs=[[6.18554,0.675867,0.105683,0.0260607],[2.16313,1.07016,-0.303356,-0.02605],[0.236438,0.0480319,0.0442853,-0.0181652],[0.0264284,0.00454956,0.0561312,-0.00552684],[-0.107466,0.0243615,0.0187369,0.00157442],[-0.109255,0.0171479,0.00070299,0.00251757]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.66
S298 (cal/mol*K) = -3.18
G298 (kcal/mol) = -17.71

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(329); H(25), C7H11(329); C7H10(1)+H(25)(+M)=>C7H11(329)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.186e+00 6.759e-01 1.057e-01 2.606e-02 / CHEB/ 2.163e+00 1.070e+00 -3.034e-01 -2.605e-02 / CHEB/ 2.364e-01 4.803e-02 4.429e-02 -1.817e-02 / CHEB/ 2.643e-02 4.550e-03 5.613e-02 -5.527e-03 / CHEB/ -1.075e-01 2.436e-02 1.874e-02 1.574e-03 / CHEB/ -1.093e-01 1.715e-02 7.030e-04 2.518e-03 /

1596.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+5.0	+5.6	+5.5
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+4.7	+5.7	+6.0

Chebyshev(coeffs=[[8.63253,-0.778616,-0.0526183,0.0406509],[2.7811,1.3796,-0.367176,-0.0261031],[0.101085,0.292133,0.0345135,-0.0305409],[-0.143422,0.173435,0.0274142,-0.0116878],[-0.134068,0.10524,0.0160574,-0.00804567],[-0.0814974,0.0347052,0.017057,-0.00537436]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.22
S298 (cal/mol*K) = 19.40
G298 (kcal/mol) = -19.00

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(330); H(25), C7H11(330); C7H10(1)+H(25)(+M)=>C7H11(330)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.633e+00 -7.786e-01 -5.262e-02 4.065e-02 / CHEB/ 2.781e+00 1.380e+00 -3.672e-01 -2.610e-02 / CHEB/ 1.011e-01 2.921e-01 3.451e-02 -3.054e-02 / CHEB/ -1.434e-01 1.734e-01 2.741e-02 -1.169e-02 / CHEB/ -1.341e-01 1.052e-01 1.606e-02 -8.046e-03 / CHEB/ -8.150e-02 3.471e-02 1.706e-02 -5.374e-03 /

1597.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.1	-12.4	-6.0	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-31.2	-12.4	-6.0	-2.7

Chebyshev(coeffs=[[-23.4529,-0.074313,-0.0377781,-0.00997734],[26.4846,0.0254758,0.0116637,0.00205656],[0.199365,0.0342575,0.015157,0.001381],[0.056331,0.0162752,0.00854887,0.00247257],[0.00676078,0.000406816,0.00245627,0.00289445],[0.00268683,-0.00403241,-0.00075163,0.00113611]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.47
S298 (cal/mol*K) = 23.06
G298 (kcal/mol) = 75.60

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(331); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(331)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.345e+01 -7.431e-02 -3.778e-02 -9.977e-03 / CHEB/ 2.648e+01 2.548e-02 1.166e-02 2.057e-03 / CHEB/ 1.994e-01 3.426e-02 1.516e-02 1.381e-03 / CHEB/ 5.633e-02 1.628e-02 8.549e-03 2.473e-03 / CHEB/ 6.761e-03 4.068e-04 2.456e-03 2.894e-03 / CHEB/ 2.687e-03 -4.032e-03 -7.516e-04 1.136e-03 /

1598.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.7	-0.7	+2.9	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-0.5	+3.4	+5.2

Chebyshev(coeffs=[[-11.6605,0.356282,-0.111085,-0.0169007],[16.2313,0.700884,-0.108351,-0.000618056],[-0.0187037,0.411828,-0.0347882,-0.0138459],[-0.195042,0.153637,0.028213,-0.0113803],[-0.0775491,0.00423363,0.0378645,-0.00304132],[-0.0130172,-0.0371496,0.0167518,0.00312453]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 45.19
S298 (cal/mol*K) = 29.41
G298 (kcal/mol) = 36.42

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H10(65); C7H11(22), H(25); C7H11(22)(+M)=>C7H10(65)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.166e+01 3.563e-01 -1.111e-01 -1.690e-02 / CHEB/ 1.623e+01 7.009e-01 -1.084e-01 -6.181e-04 / CHEB/ -1.870e-02 4.118e-01 -3.479e-02 -1.385e-02 / CHEB/ -1.950e-01 1.536e-01 2.821e-02 -1.138e-02 / CHEB/ -7.755e-02 4.234e-03 3.786e-02 -3.041e-03 / CHEB/ -1.302e-02 -3.715e-02 1.675e-02 3.125e-03 /

1599.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.8	-5.1	-1.3	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-17.8	-4.9	-0.7	+1.3

Chebyshev(coeffs=[[-16.7033,0.407372,-0.111841,-0.0158025],[17.1946,0.764574,-0.107877,-0.00354571],[0.0567588,0.423727,-0.0214675,-0.0172372],[-0.15434,0.133589,0.0408806,-0.0120495],[-0.0524644,-0.015436,0.0415208,-0.000684411],[0.00050877,-0.0435508,0.0137115,0.00542539]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.23
S298 (cal/mol*K) = 9.55
G298 (kcal/mol) = 40.38

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H10(1); C7H11(22), H(25); C7H11(22)(+M)=>C7H10(1)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.670e+01 4.074e-01 -1.118e-01 -1.580e-02 / CHEB/ 1.719e+01 7.646e-01 -1.079e-01 -3.546e-03 / CHEB/ 5.676e-02 4.237e-01 -2.147e-02 -1.724e-02 / CHEB/ -1.543e-01 1.336e-01 4.088e-02 -1.205e-02 / CHEB/ -5.246e-02 -1.544e-02 4.152e-02 -6.844e-04 / CHEB/ 5.088e-04 -4.355e-02 1.371e-02 5.425e-03 /

1600.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.4	-13.2	-5.8	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-35.8	-12.3	-4.8	-1.0

Chebyshev(coeffs=[[-35.2196,1.49147,-0.228315,-0.0414829],[33.6588,0.425153,0.156862,-0.00164036],[-0.458274,0.0752978,0.0495685,0.0191635],[-0.068858,-0.0317064,-0.00529424,0.00822652],[0.0367137,-0.0311951,-0.0147567,-0.00184759],[0.0261454,-0.00714618,-0.00613148,-0.0036118]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 111.30
S298 (cal/mol*K) = 41.03
G298 (kcal/mol) = 99.07

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), H(25); C7H11(22), C7H10(31); C7H11(22)(+M)=>H(25)+C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.522e+01 1.491e+00 -2.283e-01 -4.148e-02 / CHEB/ 3.366e+01 4.252e-01 1.569e-01 -1.640e-03 / CHEB/ -4.583e-01 7.530e-02 4.957e-02 1.916e-02 / CHEB/ -6.886e-02 -3.171e-02 -5.294e-03 8.227e-03 / CHEB/ 3.671e-02 -3.120e-02 -1.476e-02 -1.848e-03 / CHEB/ 2.615e-02 -7.146e-03 -6.131e-03 -3.612e-03 /

1601.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.3	-13.1	-5.5	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-35.8	-12.2	-4.6	-0.8

Chebyshev(coeffs=[[-35.1045,1.49147,-0.228315,-0.0414829],[33.7657,0.425153,0.156862,-0.00164036],[-0.434675,0.0752978,0.0495685,0.0191635],[-0.0619102,-0.0317064,-0.00529424,0.00822652],[0.0390141,-0.0311951,-0.0147567,-0.00184759],[0.0269558,-0.00714618,-0.00613148,-0.0036118]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 111.30
S298 (cal/mol*K) = 42.41
G298 (kcal/mol) = 98.66

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), H(25); C7H11(22), C7H10(35); C7H11(22)(+M)=>H(25)+C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.510e+01 1.491e+00 -2.283e-01 -4.148e-02 / CHEB/ 3.377e+01 4.252e-01 1.569e-01 -1.640e-03 / CHEB/ -4.347e-01 7.530e-02 4.957e-02 1.916e-02 / CHEB/ -6.191e-02 -3.171e-02 -5.294e-03 8.227e-03 / CHEB/ 3.901e-02 -3.120e-02 -1.476e-02 -1.848e-03 / CHEB/ 2.696e-02 -7.146e-03 -6.131e-03 -3.612e-03 /

1602.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-42.2	-16.6	-8.2	-3.9
log₁₀(k(10 bar)/[mole,m,s])	-41.5	-15.7	-7.2	-2.9

Chebyshev(coeffs=[[-40.6747,1.62815,-0.1891,-0.0513502],[37.0448,0.327801,0.147093,0.0211665],[-0.362379,0.0438949,0.0330454,0.0178694],[-0.0362216,-0.0301741,-0.0108625,0.00197928],[0.04986,-0.0229821,-0.0130972,-0.00442827],[0.0312221,-0.00346088,-0.00362248,-0.00283214]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 121.85
S298 (cal/mol*K) = 39.32
G298 (kcal/mol) = 110.13

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), H(25); C7H11(22), C7H10(30); C7H11(22)(+M)=>H(25)+C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.067e+01 1.628e+00 -1.891e-01 -5.135e-02 / CHEB/ 3.704e+01 3.278e-01 1.471e-01 2.117e-02 / CHEB/ -3.624e-01 4.389e-02 3.305e-02 1.787e-02 / CHEB/ -3.622e-02 -3.017e-02 -1.086e-02 1.979e-03 / CHEB/ 4.986e-02 -2.298e-02 -1.310e-02 -4.428e-03 / CHEB/ 3.122e-02 -3.461e-03 -3.622e-03 -2.832e-03 /

1603.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-42.2	-16.6	-8.2	-3.9
log₁₀(k(10 bar)/[mole,m,s])	-41.5	-15.7	-7.2	-2.9

H298 (kcal/mol) = 121.85
S298 (cal/mol*K) = 39.32
G298 (kcal/mol) = 110.13

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), H(25); C7H11(22), C7H10(29); C7H11(22)(+M)=>H(25)+C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.067e+01 1.628e+00 -1.891e-01 -5.135e-02 / CHEB/ 3.704e+01 3.278e-01 1.471e-01 2.117e-02 / CHEB/ -3.624e-01 4.389e-02 3.305e-02 1.787e-02 / CHEB/ -3.622e-02 -3.017e-02 -1.086e-02 1.979e-03 / CHEB/ 4.986e-02 -2.298e-02 -1.310e-02 -4.428e-03 / CHEB/ 3.122e-02 -3.461e-03 -3.622e-03 -2.832e-03 /

1604.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	+2.8	+6.0	+7.1
log₁₀(k(10 bar)/[mole,m,s])	-8.2	+3.0	+6.4	+7.8

Chebyshev(coeffs=[[-7.39364,0.302263,-0.110054,-0.0177185],[14.9085,0.628082,-0.10684,0.00237835],[-0.173517,0.388936,-0.0455115,-0.0101455],[-0.253901,0.167022,0.0153075,-0.00968159],[-0.111967,0.023879,0.0317132,-0.00432322],[-0.0301981,-0.0278503,0.0177454,0.00103864]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.57
S298 (cal/mol*K) = 6.37
G298 (kcal/mol) = 22.67

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H11(329); C7H11(22)(+M)=>C7H11(329)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.394e+00 3.023e-01 -1.101e-01 -1.772e-02 / CHEB/ 1.491e+01 6.281e-01 -1.068e-01 2.378e-03 / CHEB/ -1.735e-01 3.889e-01 -4.551e-02 -1.015e-02 / CHEB/ -2.539e-01 1.670e-01 1.531e-02 -9.682e-03 / CHEB/ -1.120e-01 2.388e-02 3.171e-02 -4.323e-03 / CHEB/ -3.020e-02 -2.785e-02 1.775e-02 1.039e-03 /

1605.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	+3.9	+6.3	+7.1
log₁₀(k(10 bar)/[mole,m,s])	-5.4	+3.9	+6.6	+7.6

Chebyshev(coeffs=[[-4.91837,0.158525,-0.100134,-0.0212267],[12.7017,0.422214,-0.0844441,0.00738415],[-0.447814,0.302477,-0.0526202,-0.000372042],[-0.267637,0.17901,-0.0102211,-0.00188045],[-0.13199,0.0720911,0.0107799,-0.00264845],[-0.0536394,0.0069412,0.0118629,-0.00197144]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.36
S298 (cal/mol*K) = 9.77
G298 (kcal/mol) = 16.45

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H11(321); C7H11(22)(+M)=>C7H11(321)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.918e+00 1.585e-01 -1.001e-01 -2.123e-02 / CHEB/ 1.270e+01 4.222e-01 -8.444e-02 7.384e-03 / CHEB/ -4.478e-01 3.025e-01 -5.262e-02 -3.720e-04 / CHEB/ -2.676e-01 1.790e-01 -1.022e-02 -1.880e-03 / CHEB/ -1.320e-01 7.209e-02 1.078e-02 -2.648e-03 / CHEB/ -5.364e-02 6.941e-03 1.186e-02 -1.971e-03 /

1606.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.3	+1.3	+5.0	+6.5
log₁₀(k(10 bar)/[mole,m,s])	-11.4	+1.5	+5.5	+7.3

Chebyshev(coeffs=[[-10.4502,0.379472,-0.114279,-0.0141647],[17.2786,0.713055,-0.116371,-0.00302001],[-0.182667,0.401566,-0.0284625,-0.0163241],[-0.192473,0.133443,0.034186,-0.0123316],[-0.0747753,-0.00708932,0.0383143,-0.00178683],[-0.0137508,-0.0375071,0.0140812,0.00440184]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.58
S298 (cal/mol*K) = 27.36
G298 (kcal/mol) = 34.43

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H11(307); C7H11(22)(+M)=>C7H11(307)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.045e+01 3.795e-01 -1.143e-01 -1.416e-02 / CHEB/ 1.728e+01 7.131e-01 -1.164e-01 -3.020e-03 / CHEB/ -1.827e-01 4.016e-01 -2.846e-02 -1.632e-02 / CHEB/ -1.925e-01 1.334e-01 3.419e-02 -1.233e-02 / CHEB/ -7.478e-02 -7.089e-03 3.831e-02 -1.787e-03 / CHEB/ -1.375e-02 -3.751e-02 1.408e-02 4.402e-03 /

1607.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	+1.3	+4.4	+5.5
log₁₀(k(10 bar)/[mole,m,s])	-9.4	+1.4	+4.8	+6.2

Chebyshev(coeffs=[[-8.57167,0.266144,-0.108123,-0.0194255],[14.4004,0.585916,-0.0996659,0.00448739],[-0.124185,0.377869,-0.049997,-0.00747028],[-0.229024,0.180172,0.00687053,-0.00783387],[-0.110541,0.0405854,0.026778,-0.00451473],[-0.0343226,-0.0200524,0.0178391,-0.000245019]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.01
S298 (cal/mol*K) = 28.95
G298 (kcal/mol) = 21.38

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H11(330); C7H11(22)(+M)=>C7H11(330)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.572e+00 2.661e-01 -1.081e-01 -1.943e-02 / CHEB/ 1.440e+01 5.859e-01 -9.967e-02 4.487e-03 / CHEB/ -1.242e-01 3.779e-01 -5.000e-02 -7.470e-03 / CHEB/ -2.290e-01 1.802e-01 6.871e-03 -7.834e-03 / CHEB/ -1.105e-01 4.059e-02 2.678e-02 -4.515e-03 / CHEB/ -3.432e-02 -2.005e-02 1.784e-02 -2.450e-04 /

1608.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.4	-7.5	-2.6	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-23.4	-7.0	-1.8	+0.7

Chebyshev(coeffs=[[-22.4907,0.674077,-0.166677,0.00739899],[22.5134,0.867772,-0.0648328,-0.0392575],[-0.223126,0.308423,0.0587722,-0.0293834],[-0.0950303,0.016043,0.0601144,0.00388424],[-0.00348743,-0.0526271,0.0176988,0.0149577],[0.0131623,-0.0308296,-0.00812765,0.00705181]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.03
S298 (cal/mol*K) = 11.83
G298 (kcal/mol) = 5.50

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), C7H11(327); C7H11(22)(+M)=>C7H11(327)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.249e+01 6.741e-01 -1.667e-01 7.399e-03 / CHEB/ 2.251e+01 8.678e-01 -6.483e-02 -3.926e-02 / CHEB/ -2.231e-01 3.084e-01 5.877e-02 -2.938e-02 / CHEB/ -9.503e-02 1.604e-02 6.011e-02 3.884e-03 / CHEB/ -3.487e-03 -5.263e-02 1.770e-02 1.496e-02 / CHEB/ 1.316e-02 -3.083e-02 -8.128e-03 7.052e-03 /

1609.

→

PDepNetwork #9

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-45.4	-18.8	-9.9	-5.3
log₁₀(k(10 bar)/[mole,m,s])	-44.6	-17.8	-8.9	-4.3

Chebyshev(coeffs=[[-43.6279,1.67173,-0.172683,-0.0516988],[38.3988,0.301834,0.143094,0.0276224],[-0.224838,0.032528,0.0268817,0.0166065],[0.00189997,-0.0302898,-0.0127129,-0.000179298],[0.0614765,-0.0196982,-0.0120533,-0.00495931],[0.0363069,-0.00186328,-0.00253324,-0.00234918]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 125.70
S298 (cal/mol*K) = 32.61
G298 (kcal/mol) = 115.98

! PDep reaction: PDepNetwork #9 ! Flux pairs: C7H11(22), H(25); C7H11(22), C7H10(331); C7H11(22)(+M)=>H(25)+C7H10(331)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.363e+01 1.672e+00 -1.727e-01 -5.170e-02 / CHEB/ 3.840e+01 3.018e-01 1.431e-01 2.762e-02 / CHEB/ -2.248e-01 3.253e-02 2.688e-02 1.661e-02 / CHEB/ 1.900e-03 -3.029e-02 -1.271e-02 -1.793e-04 / CHEB/ 6.148e-02 -1.970e-02 -1.205e-02 -4.959e-03 / CHEB/ 3.631e-02 -1.863e-03 -2.533e-03 -2.349e-03 /

1610.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	-0.7	+1.2	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-8.1	-0.6	+1.6	+2.6

Chebyshev(coeffs=[[-7.22946,-0.25701,-0.407394,0.016018],[9.03356,1.41709,0.0222485,-0.0776738],[0.112097,0.286991,0.0675715,-0.0197117],[-0.239839,0.0430671,0.020733,-8.62931e-05],[-0.0585747,0.000157816,0.0149814,-0.00451145],[0.00277768,-0.000876358,0.0160333,-0.000650075]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.44
S298 (cal/mol*K) = 4.42
G298 (kcal/mol) = 18.12

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H10(65); C7H11(46), H(25); C7H11(46)(+M)=>C7H10(65)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.229e+00 -2.570e-01 -4.074e-01 1.602e-02 / CHEB/ 9.034e+00 1.417e+00 2.225e-02 -7.767e-02 / CHEB/ 1.121e-01 2.870e-01 6.757e-02 -1.971e-02 / CHEB/ -2.398e-01 4.307e-02 2.073e-02 -8.629e-05 / CHEB/ -5.857e-02 1.578e-04 1.498e-02 -4.511e-03 / CHEB/ 2.778e-03 -8.764e-04 1.603e-02 -6.501e-04 /

1611.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.7	-12.3	-6.7	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-30.2	-11.7	-5.9	-3.2

Chebyshev(coeffs=[[-29.7539,1.37319,-0.290054,-0.0573938],[26.1413,0.163957,0.0633226,-0.00118583],[-0.336704,0.175272,0.0561762,-0.0093411],[-0.217777,0.0997986,0.0344775,-0.00286494],[-0.0277701,-0.000719442,0.00933696,0.00783067],[0.0151359,-0.0204602,0.00084781,0.00718307]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 85.55
S298 (cal/mol*K) = 16.04
G298 (kcal/mol) = 80.77

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(31); C7H11(46)(+M)=>H(25)+C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.975e+01 1.373e+00 -2.901e-01 -5.739e-02 / CHEB/ 2.614e+01 1.640e-01 6.332e-02 -1.186e-03 / CHEB/ -3.367e-01 1.753e-01 5.618e-02 -9.341e-03 / CHEB/ -2.178e-01 9.980e-02 3.448e-02 -2.865e-03 / CHEB/ -2.777e-02 -7.194e-04 9.337e-03 7.831e-03 / CHEB/ 1.514e-02 -2.046e-02 8.478e-04 7.183e-03 /

1612.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.6	-12.1	-6.5	-3.8
log₁₀(k(10 bar)/[mole,m,s])	-30.1	-11.5	-5.7	-2.9

Chebyshev(coeffs=[[-29.6388,1.37319,-0.290054,-0.0573938],[26.2482,0.163957,0.0633226,-0.00118583],[-0.313105,0.175272,0.0561762,-0.0093411],[-0.21083,0.0997986,0.0344775,-0.00286494],[-0.0254697,-0.000719442,0.00933696,0.00783067],[0.0159463,-0.0204602,0.00084781,0.00718307]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 85.55
S298 (cal/mol*K) = 17.42
G298 (kcal/mol) = 80.36

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(35); C7H11(46)(+M)=>H(25)+C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.964e+01 1.373e+00 -2.901e-01 -5.739e-02 / CHEB/ 2.625e+01 1.640e-01 6.332e-02 -1.186e-03 / CHEB/ -3.131e-01 1.753e-01 5.618e-02 -9.341e-03 / CHEB/ -2.108e-01 9.980e-02 3.448e-02 -2.865e-03 / CHEB/ -2.547e-02 -7.194e-04 9.337e-03 7.831e-03 / CHEB/ 1.595e-02 -2.046e-02 8.478e-04 7.183e-03 /

1613.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.3	-15.5	-9.0	-5.9
log₁₀(k(10 bar)/[mole,m,s])	-35.8	-14.8	-8.2	-5.0

Chebyshev(coeffs=[[-35.0667,1.45788,-0.265335,-0.0632686],[29.4803,0.135508,0.0576842,0.00385812],[-0.246333,0.158739,0.0573453,-0.00390953],[-0.209349,0.0918566,0.0351037,-0.000121791],[-0.0243607,-0.00227001,0.00690206,0.00734112],[0.0217853,-0.0204698,-0.00130707,0.00623138]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.10
S298 (cal/mol*K) = 14.33
G298 (kcal/mol) = 91.83

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(30); C7H11(46)(+M)=>H(25)+C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.507e+01 1.458e+00 -2.653e-01 -6.327e-02 / CHEB/ 2.948e+01 1.355e-01 5.768e-02 3.858e-03 / CHEB/ -2.463e-01 1.587e-01 5.735e-02 -3.910e-03 / CHEB/ -2.093e-01 9.186e-02 3.510e-02 -1.218e-04 / CHEB/ -2.436e-02 -2.270e-03 6.902e-03 7.341e-03 / CHEB/ 2.179e-02 -2.047e-02 -1.307e-03 6.231e-03 /

1614.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.3	-15.5	-9.0	-5.9
log₁₀(k(10 bar)/[mole,m,s])	-35.8	-14.8	-8.2	-5.0

H298 (kcal/mol) = 96.10
S298 (cal/mol*K) = 14.33
G298 (kcal/mol) = 91.83

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(29); C7H11(46)(+M)=>H(25)+C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.507e+01 1.458e+00 -2.653e-01 -6.327e-02 / CHEB/ 2.948e+01 1.355e-01 5.768e-02 3.858e-03 / CHEB/ -2.463e-01 1.587e-01 5.735e-02 -3.910e-03 / CHEB/ -2.093e-01 9.186e-02 3.510e-02 -1.218e-04 / CHEB/ -2.436e-02 -2.270e-03 6.902e-03 7.341e-03 / CHEB/ 2.179e-02 -2.047e-02 -1.307e-03 6.231e-03 /

1615.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+2.8	+4.1	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+2.8	+4.5	+5.1

Chebyshev(coeffs=[[-3.07616,-0.40476,-0.388848,0.0168208],[7.74371,1.45031,-0.0231457,-0.0740339],[-0.0689985,0.325676,0.0609847,-0.024726],[-0.307798,0.0438077,0.0247094,0.00124238],[-0.0912358,-0.0049462,0.0148076,-0.00469695],[-0.00837798,-0.000355226,0.0148175,-0.00237356]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.18
S298 (cal/mol*K) = -18.62
G298 (kcal/mol) = 4.36

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(329); C7H11(46)(+M)=>C7H11(329)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.076e+00 -4.048e-01 -3.888e-01 1.682e-02 / CHEB/ 7.744e+00 1.450e+00 -2.315e-02 -7.403e-02 / CHEB/ -6.900e-02 3.257e-01 6.098e-02 -2.473e-02 / CHEB/ -3.078e-01 4.381e-02 2.471e-02 1.242e-03 / CHEB/ -9.124e-02 -4.946e-03 1.481e-02 -4.697e-03 / CHEB/ -8.378e-03 -3.552e-04 1.482e-02 -2.374e-03 /

1616.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.9	+3.6	+4.3	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-1.8	+3.4	+4.5	+4.7

Chebyshev(coeffs=[[-1.05538,-0.817265,-0.318355,0.00835901],[5.7767,1.45295,-0.13415,-0.0460471],[-0.36802,0.471511,0.0173869,-0.0329832],[-0.361592,0.086979,0.038044,-0.0018078],[-0.132513,-0.00452729,0.0166967,-0.0023007],[-0.0253899,-0.00331761,0.0108239,-0.00466755]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.39
S298 (cal/mol*K) = -15.22
G298 (kcal/mol) = -1.86

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(321); C7H11(46)(+M)=>C7H11(321)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.055e+00 -8.173e-01 -3.184e-01 8.359e-03 / CHEB/ 5.777e+00 1.453e+00 -1.341e-01 -4.605e-02 / CHEB/ -3.680e-01 4.715e-01 1.739e-02 -3.298e-02 / CHEB/ -3.616e-01 8.698e-02 3.804e-02 -1.808e-03 / CHEB/ -1.325e-01 -4.527e-03 1.670e-02 -2.301e-03 / CHEB/ -2.539e-02 -3.318e-03 1.082e-02 -4.668e-03 /

1617.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	+1.2	+3.2	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-6.6	+1.4	+3.7	+4.7

Chebyshev(coeffs=[[-5.86994,-0.0675713,-0.458423,0.0162727],[9.88672,1.2144,0.0942154,-0.0825656],[0.0134654,0.27949,0.0485979,-0.0135589],[-0.253622,0.0587396,0.0130638,-0.0029462],[-0.0635559,0.000766697,0.0174883,-0.00484926],[0.00153352,-0.00506899,0.0174957,0.000488467]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.83
S298 (cal/mol*K) = 2.37
G298 (kcal/mol) = 16.12

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(307); C7H11(46)(+M)=>C7H11(307)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.870e+00 -6.757e-02 -4.584e-01 1.627e-02 / CHEB/ 9.887e+00 1.214e+00 9.422e-02 -8.257e-02 / CHEB/ 1.347e-02 2.795e-01 4.860e-02 -1.356e-02 / CHEB/ -2.536e-01 5.874e-02 1.306e-02 -2.946e-03 / CHEB/ -6.356e-02 7.667e-04 1.749e-02 -4.849e-03 / CHEB/ 1.534e-03 -5.069e-03 1.750e-02 4.885e-04 /

1618.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+1.2	+2.5	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-5.3	+1.1	+2.8	+3.5

Chebyshev(coeffs=[[-4.4669,-0.546084,-0.355234,0.0119025],[7.46166,1.51665,-0.0717081,-0.0625115],[-0.08585,0.370619,0.0570698,-0.0303306],[-0.291891,0.0454233,0.032503,0.00129299],[-0.0804626,-0.00952143,0.0151136,-0.00384602],[-0.0112511,-0.000494681,0.013468,-0.00329742]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.26
S298 (cal/mol*K) = 3.96
G298 (kcal/mol) = 3.08

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(330); C7H11(46)(+M)=>C7H11(330)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.467e+00 -5.461e-01 -3.552e-01 1.190e-02 / CHEB/ 7.462e+00 1.517e+00 -7.171e-02 -6.251e-02 / CHEB/ -8.585e-02 3.706e-01 5.707e-02 -3.033e-02 / CHEB/ -2.919e-01 4.542e-02 3.250e-02 1.293e-03 / CHEB/ -8.046e-02 -9.521e-03 1.511e-02 -3.846e-03 / CHEB/ -1.125e-02 -4.947e-04 1.347e-02 -3.297e-03 /

1619.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.0	-7.3	-4.0	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-18.0	-6.9	-3.4	-1.7

Chebyshev(coeffs=[[-17.5276,0.730375,-0.439007,-0.039772],[15.0266,0.584587,0.156098,-0.0110075],[-0.00718254,0.248169,0.0364351,-0.0247618],[-0.156082,0.0907262,0.0157853,-0.0117973],[-0.0369456,0.00664531,0.022052,0.00406203],[0.0063497,-0.0109598,0.0134962,0.00716661]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.72
S298 (cal/mol*K) = -13.16
G298 (kcal/mol) = -12.80

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), C7H11(327); C7H11(46)(+M)=>C7H11(327)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.753e+01 7.304e-01 -4.390e-01 -3.977e-02 / CHEB/ 1.503e+01 5.846e-01 1.561e-01 -1.101e-02 / CHEB/ -7.183e-03 2.482e-01 3.644e-02 -2.476e-02 / CHEB/ -1.561e-01 9.073e-02 1.579e-02 -1.180e-02 / CHEB/ -3.695e-02 6.645e-03 2.205e-02 4.062e-03 / CHEB/ 6.350e-03 -1.096e-02 1.350e-02 7.167e-03 /

1620.

→

PDepNetwork #10

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.4	-17.6	-10.7	-7.3
log₁₀(k(10 bar)/[mole,m,s])	-38.8	-16.9	-9.8	-6.4

Chebyshev(coeffs=[[-37.9906,1.49076,-0.254385,-0.0647507],[30.8952,0.132875,0.0586189,0.00602685],[-0.175176,0.155514,0.0590459,-0.00136377],[-0.136645,0.0859925,0.034676,0.00155098],[-0.0263624,-0.00382834,0.0058635,0.00731326],[0.0069401,-0.019784,-0.00195657,0.00569825]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.95
S298 (cal/mol*K) = 7.62
G298 (kcal/mol) = 97.68

! PDep reaction: PDepNetwork #10 ! Flux pairs: C7H11(46), H(25); C7H11(46), C7H10(331); C7H11(46)(+M)=>H(25)+C7H10(331)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.799e+01 1.491e+00 -2.544e-01 -6.475e-02 / CHEB/ 3.090e+01 1.329e-01 5.862e-02 6.027e-03 / CHEB/ -1.752e-01 1.555e-01 5.905e-02 -1.364e-03 / CHEB/ -1.366e-01 8.599e-02 3.468e-02 1.551e-03 / CHEB/ -2.636e-02 -3.828e-03 5.863e-03 7.313e-03 / CHEB/ 6.940e-03 -1.978e-02 -1.957e-03 5.698e-03 /

1621.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	-3.0	-1.8	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-6.4	-3.2	-1.9	-1.2

Chebyshev(coeffs=[[0.488165,-0.82407,-0.392663,-0.0930385],[3.74528,0.750286,0.315184,0.0388461],[0.531165,0.0572517,0.0530313,0.030236],[0.0449866,-0.00949045,0.000518154,0.00602599],[-0.0320673,-0.0193753,-0.00656434,0.00141055],[-0.0213699,-0.0102732,-0.00431327,-7.36298e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.12
S298 (cal/mol*K) = -17.92
G298 (kcal/mol) = -8.78

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(65); H(25), H(25); C7H10(146)+H(25)(+M)=>C7H10(65)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.882e-01 -8.241e-01 -3.927e-01 -9.304e-02 / CHEB/ 3.745e+00 7.503e-01 3.152e-01 3.885e-02 / CHEB/ 5.312e-01 5.725e-02 5.303e-02 3.024e-02 / CHEB/ 4.499e-02 -9.490e-03 5.182e-04 6.026e-03 / CHEB/ -3.207e-02 -1.938e-02 -6.564e-03 1.411e-03 / CHEB/ -2.137e-02 -1.027e-02 -4.313e-03 -7.363e-05 /

1622.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.9	-12.2	-8.1	-6.0
log₁₀(k(10 bar)/[mole,m,s])	-24.0	-12.2	-8.1	-6.0

Chebyshev(coeffs=[[-16.8562,-0.168845,-0.107203,-0.0503949],[16.5471,0.0895472,0.0557911,0.0252024],[0.241298,0.0575871,0.035094,0.0150905],[0.0878549,0.0200971,0.0126342,0.00582498],[-0.00953271,-0.010945,-0.00553137,-0.00126476],[-0.0195895,-0.0107572,-0.00605951,-0.00211988]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 51.99
S298 (cal/mol*K) = -6.30
G298 (kcal/mol) = 53.87

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(31); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.686e+01 -1.688e-01 -1.072e-01 -5.039e-02 / CHEB/ 1.655e+01 8.955e-02 5.579e-02 2.520e-02 / CHEB/ 2.413e-01 5.759e-02 3.509e-02 1.509e-02 / CHEB/ 8.785e-02 2.010e-02 1.263e-02 5.825e-03 / CHEB/ -9.533e-03 -1.095e-02 -5.531e-03 -1.265e-03 / CHEB/ -1.959e-02 -1.076e-02 -6.060e-03 -2.120e-03 /

1623.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.8	-12.0	-7.8	-5.7
log₁₀(k(10 bar)/[mole,m,s])	-23.9	-12.1	-7.9	-5.7

Chebyshev(coeffs=[[-16.7411,-0.168845,-0.107203,-0.0503949],[16.654,0.0895472,0.0557911,0.0252024],[0.264896,0.0575871,0.035094,0.0150905],[0.0948027,0.0200971,0.0126342,0.00582498],[-0.00723229,-0.010945,-0.00553137,-0.00126476],[-0.0187791,-0.0107572,-0.00605951,-0.00211988]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 51.99
S298 (cal/mol*K) = -4.92
G298 (kcal/mol) = 53.46

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(35); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.674e+01 -1.688e-01 -1.072e-01 -5.039e-02 / CHEB/ 1.665e+01 8.955e-02 5.579e-02 2.520e-02 / CHEB/ 2.649e-01 5.759e-02 3.509e-02 1.509e-02 / CHEB/ 9.480e-02 2.010e-02 1.263e-02 5.825e-03 / CHEB/ -7.232e-03 -1.095e-02 -5.531e-03 -1.265e-03 / CHEB/ -1.878e-02 -1.076e-02 -6.060e-03 -2.120e-03 /

1624.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.1	-15.0	-10.2	-7.7
log₁₀(k(10 bar)/[mole,m,s])	-29.2	-15.1	-10.2	-7.7

Chebyshev(coeffs=[[-21.8105,-0.134221,-0.0866473,-0.042067],[19.7789,0.0652346,0.0414545,0.0194945],[0.23208,0.0491962,0.0306937,0.0138892],[0.0895898,0.0187652,0.0119426,0.0056395],[-0.00415813,-0.00913674,-0.0049135,-0.00145998],[-0.0158564,-0.00960742,-0.00561616,-0.00217493]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 62.54
S298 (cal/mol*K) = -8.01
G298 (kcal/mol) = 64.93

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(30); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.181e+01 -1.342e-01 -8.665e-02 -4.207e-02 / CHEB/ 1.978e+01 6.523e-02 4.145e-02 1.949e-02 / CHEB/ 2.321e-01 4.920e-02 3.069e-02 1.389e-02 / CHEB/ 8.959e-02 1.877e-02 1.194e-02 5.640e-03 / CHEB/ -4.158e-03 -9.137e-03 -4.914e-03 -1.460e-03 / CHEB/ -1.586e-02 -9.607e-03 -5.616e-03 -2.175e-03 /

1625.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.1	-15.0	-10.2	-7.7
log₁₀(k(10 bar)/[mole,m,s])	-29.2	-15.1	-10.2	-7.7

H298 (kcal/mol) = 62.54
S298 (cal/mol*K) = -8.01
G298 (kcal/mol) = 64.93

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(29); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.181e+01 -1.342e-01 -8.665e-02 -4.207e-02 / CHEB/ 1.978e+01 6.523e-02 4.145e-02 1.949e-02 / CHEB/ 2.321e-01 4.920e-02 3.069e-02 1.389e-02 / CHEB/ 8.959e-02 1.877e-02 1.194e-02 5.640e-03 / CHEB/ -4.158e-03 -9.137e-03 -4.914e-03 -1.460e-03 / CHEB/ -1.586e-02 -9.607e-03 -5.616e-03 -2.175e-03 /

1626.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+0.2	+0.9	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-2.5	-0.0	+0.8	+1.1

Chebyshev(coeffs=[[4.10339,-0.864027,-0.406766,-0.0930202],[2.83089,0.765108,0.31451,0.0334182],[0.293914,0.0719234,0.0590541,0.0302784],[-0.0307687,-0.00881566,0.00215746,0.00733047],[-0.059888,-0.0205767,-0.00649843,0.00195924],[-0.0308944,-0.0100447,-0.00406585,0.000138459]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.74
S298 (cal/mol*K) = -40.96
G298 (kcal/mol) = -22.53

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(329); H(25), C7H11(329); C7H10(146)+H(25)(+M)=>C7H11(329)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.103e+00 -8.640e-01 -4.068e-01 -9.302e-02 / CHEB/ 2.831e+00 7.651e-01 3.145e-01 3.342e-02 / CHEB/ 2.939e-01 7.192e-02 5.905e-02 3.028e-02 / CHEB/ -3.077e-02 -8.816e-03 2.157e-03 7.330e-03 / CHEB/ -5.989e-02 -2.058e-02 -6.498e-03 1.959e-03 / CHEB/ -3.089e-02 -1.004e-02 -4.066e-03 1.385e-04 /

1627.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+0.3	+0.4	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-1.8	-0.0	+0.3	+0.3

Chebyshev(coeffs=[[4.59835,-0.970745,-0.442917,-0.0918124],[1.8752,0.794152,0.308854,0.0195014],[-0.00220094,0.11735,0.0755369,0.0289329],[-0.108109,-0.00230302,0.00859069,0.0108951],[-0.0813285,-0.024284,-0.00583423,0.00390174],[-0.0361119,-0.0103349,-0.00369472,0.000711013]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -39.95
S298 (cal/mol*K) = -37.56
G298 (kcal/mol) = -28.76

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(321); H(25), C7H11(321); C7H10(146)+H(25)(+M)=>C7H11(321)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.598e+00 -9.707e-01 -4.429e-01 -9.181e-02 / CHEB/ 1.875e+00 7.942e-01 3.089e-01 1.950e-02 / CHEB/ -2.201e-03 1.174e-01 7.554e-02 2.893e-02 / CHEB/ -1.081e-01 -2.303e-03 8.591e-03 1.090e-02 / CHEB/ -8.133e-02 -2.428e-02 -5.834e-03 3.902e-03 / CHEB/ -3.611e-02 -1.033e-02 -3.695e-03 7.110e-04 /

1628.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.0	-1.0	+0.3	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-4.6	-1.1	+0.2	+0.8

Chebyshev(coeffs=[[2.30405,-0.800227,-0.386094,-0.0947601],[4.02392,0.725643,0.309498,0.0413366],[0.526997,0.0515892,0.0494514,0.0291711],[0.025982,-0.00620137,0.00112015,0.00535238],[-0.0415754,-0.0180984,-0.00596186,0.00149446],[-0.0257734,-0.0103775,-0.00423456,4.78355e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.73
S298 (cal/mol*K) = -19.97
G298 (kcal/mol) = -10.78

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(307); H(25), C7H11(307); C7H10(146)+H(25)(+M)=>C7H11(307)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.304e+00 -8.002e-01 -3.861e-01 -9.476e-02 / CHEB/ 4.024e+00 7.256e-01 3.095e-01 4.134e-02 / CHEB/ 5.270e-01 5.159e-02 4.945e-02 2.917e-02 / CHEB/ 2.598e-02 -6.201e-03 1.120e-03 5.352e-03 / CHEB/ -4.158e-02 -1.810e-02 -5.962e-03 1.494e-03 / CHEB/ -2.577e-02 -1.038e-02 -4.235e-03 4.784e-05 /

1629.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	-1.6	-0.9	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-4.4	-1.8	-1.0	-0.7

Chebyshev(coeffs=[[2.25542,-0.890531,-0.415203,-0.0921973],[2.87511,0.77927,0.315829,0.03025],[0.29965,0.0829003,0.0636633,0.0305077],[-0.0182626,-0.0090967,0.00309057,0.00829854],[-0.053505,-0.0219995,-0.00672608,0.00227428],[-0.0281375,-0.0101042,-0.00408758,0.00016536]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.30
S298 (cal/mol*K) = -18.38
G298 (kcal/mol) = -23.82

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(330); H(25), C7H11(330); C7H10(146)+H(25)(+M)=>C7H11(330)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.255e+00 -8.905e-01 -4.152e-01 -9.220e-02 / CHEB/ 2.875e+00 7.793e-01 3.158e-01 3.025e-02 / CHEB/ 2.997e-01 8.290e-02 6.366e-02 3.051e-02 / CHEB/ -1.826e-02 -9.097e-03 3.091e-03 8.299e-03 / CHEB/ -5.350e-02 -2.200e-02 -6.726e-03 2.274e-03 / CHEB/ -2.814e-02 -1.010e-02 -4.088e-03 1.654e-04 /

1630.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-8.5	-6.3	-5.1
log₁₀(k(10 bar)/[mole,m,s])	-14.3	-8.6	-6.3	-5.1

Chebyshev(coeffs=[[-7.08764,-0.526326,-0.289544,-0.0990091],[7.16957,0.459654,0.237682,0.0668706],[0.75558,0.0489872,0.0332788,0.0168039],[0.115473,0.00679699,0.00535051,0.00345071],[-0.0138582,-0.015904,-0.00552783,0.00117747],[-0.0194795,-0.0120848,-0.00554394,-0.000701525]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.28
S298 (cal/mol*K) = -35.50
G298 (kcal/mol) = -39.70

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(327); H(25), C7H11(327); C7H10(146)+H(25)(+M)=>C7H11(327)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.088e+00 -5.263e-01 -2.895e-01 -9.901e-02 / CHEB/ 7.170e+00 4.597e-01 2.377e-01 6.687e-02 / CHEB/ 7.556e-01 4.899e-02 3.328e-02 1.680e-02 / CHEB/ 1.155e-01 6.797e-03 5.351e-03 3.451e-03 / CHEB/ -1.386e-02 -1.590e-02 -5.528e-03 1.177e-03 / CHEB/ -1.948e-02 -1.208e-02 -5.544e-03 -7.015e-04 /

1631.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.0	-17.0	-11.7	-9.0
log₁₀(k(10 bar)/[mole,m,s])	-32.1	-17.0	-11.7	-9.0

Chebyshev(coeffs=[[-24.598,-0.122219,-0.0793663,-0.0389672],[21.1831,0.0596611,0.038185,0.0182148],[0.318945,0.0454354,0.0286325,0.0132308],[0.111476,0.0174258,0.0111771,0.00535944],[0.00344319,-0.00869407,-0.00480681,-0.00157232],[-0.0125994,-0.0090816,-0.00540292,-0.00218768]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.39
S298 (cal/mol*K) = -14.72
G298 (kcal/mol) = 70.78

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(331); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(331)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.460e+01 -1.222e-01 -7.937e-02 -3.897e-02 / CHEB/ 2.118e+01 5.966e-02 3.819e-02 1.821e-02 / CHEB/ 3.189e-01 4.544e-02 2.863e-02 1.323e-02 / CHEB/ 1.115e-01 1.743e-02 1.118e-02 5.359e-03 / CHEB/ 3.443e-03 -8.694e-03 -4.807e-03 -1.572e-03 / CHEB/ -1.260e-02 -9.082e-03 -5.403e-03 -2.188e-03 /

1632.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.0	-7.6	-5.0	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-7.9	-5.1	-3.8

Chebyshev(coeffs=[[-8.3805,-1.50099,-0.434896,-0.0293706],[10.1149,1.37551,0.241938,-0.0605416],[0.561823,0.102025,0.131037,0.031219],[-0.0515029,-0.0379971,0.0154709,0.0237212],[-0.0323376,-0.0386238,-0.0126731,0.00657126],[-0.0073253,-0.0155115,-0.00793463,-0.000188946]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.33
S298 (cal/mol*K) = -24.67
G298 (kcal/mol) = 25.68

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(65); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>C7H10(65)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.381e+00 -1.501e+00 -4.349e-01 -2.937e-02 / CHEB/ 1.011e+01 1.376e+00 2.419e-01 -6.054e-02 / CHEB/ 5.618e-01 1.020e-01 1.310e-01 3.122e-02 / CHEB/ -5.150e-02 -3.800e-02 1.547e-02 2.372e-02 / CHEB/ -3.234e-02 -3.862e-02 -1.267e-02 6.571e-03 / CHEB/ -7.325e-03 -1.551e-02 -7.935e-03 -1.889e-04 /

1633.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.3	-18.5	-12.3	-9.2
log₁₀(k(10 bar)/[mole,m,s])	-37.5	-18.6	-12.3	-9.2

Chebyshev(coeffs=[[-29.8438,-0.165599,-0.105496,-0.0499148],[26.5967,0.0673991,0.0424454,0.0195795],[0.0761288,0.063464,0.0380572,0.0157726],[-0.0223653,0.0290071,0.0176587,0.007589],[-0.00288868,-0.013877,-0.00695186,-0.00152323],[0.0008079,-0.0155589,-0.0084892,-0.00268891]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 84.44
S298 (cal/mol*K) = -13.05
G298 (kcal/mol) = 88.33

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(31); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.984e+01 -1.656e-01 -1.055e-01 -4.991e-02 / CHEB/ 2.660e+01 6.740e-02 4.245e-02 1.958e-02 / CHEB/ 7.613e-02 6.346e-02 3.806e-02 1.577e-02 / CHEB/ -2.237e-02 2.901e-02 1.766e-02 7.589e-03 / CHEB/ -2.889e-03 -1.388e-02 -6.952e-03 -1.523e-03 / CHEB/ 8.079e-04 -1.556e-02 -8.489e-03 -2.689e-03 /

1634.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.3	-18.4	-12.1	-8.9
log₁₀(k(10 bar)/[mole,m,s])	-37.4	-18.4	-12.1	-8.9

Chebyshev(coeffs=[[-29.7287,-0.165599,-0.105496,-0.0499148],[26.7036,0.0673991,0.0424454,0.0195795],[0.0997273,0.063464,0.0380572,0.0157726],[-0.0154175,0.0290071,0.0176587,0.007589],[-0.000588263,-0.013877,-0.00695186,-0.00152323],[0.00161833,-0.0155589,-0.0084892,-0.00268891]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 84.44
S298 (cal/mol*K) = -11.67
G298 (kcal/mol) = 87.92

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(35); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.973e+01 -1.656e-01 -1.055e-01 -4.991e-02 / CHEB/ 2.670e+01 6.740e-02 4.245e-02 1.958e-02 / CHEB/ 9.973e-02 6.346e-02 3.806e-02 1.577e-02 / CHEB/ -1.542e-02 2.901e-02 1.766e-02 7.589e-03 / CHEB/ -5.883e-04 -1.388e-02 -6.952e-03 -1.523e-03 / CHEB/ 1.618e-03 -1.556e-02 -8.489e-03 -2.689e-03 /

1635.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-42.8	-21.6	-14.6	-11.0
log₁₀(k(10 bar)/[mole,m,s])	-42.9	-21.7	-14.6	-11.0

Chebyshev(coeffs=[[-35.0518,-0.1318,-0.0853507,-0.0416841],[29.9051,0.049537,0.0318255,0.0152845],[0.15234,0.052919,0.0326042,0.0143594],[-0.0194097,0.0253329,0.0157822,0.00712584],[-0.00125447,-0.0117071,-0.00629065,-0.00186606],[0.00652125,-0.0135633,-0.00776234,-0.0028384]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 94.99
S298 (cal/mol*K) = -14.76
G298 (kcal/mol) = 99.39

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(30); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.505e+01 -1.318e-01 -8.535e-02 -4.168e-02 / CHEB/ 2.991e+01 4.954e-02 3.183e-02 1.528e-02 / CHEB/ 1.523e-01 5.292e-02 3.260e-02 1.436e-02 / CHEB/ -1.941e-02 2.533e-02 1.578e-02 7.126e-03 / CHEB/ -1.254e-03 -1.171e-02 -6.291e-03 -1.866e-03 / CHEB/ 6.521e-03 -1.356e-02 -7.762e-03 -2.838e-03 /

1636.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-42.8	-21.6	-14.6	-11.0
log₁₀(k(10 bar)/[mole,m,s])	-42.9	-21.7	-14.6	-11.0

H298 (kcal/mol) = 94.99
S298 (cal/mol*K) = -14.76
G298 (kcal/mol) = 99.39

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(29); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.505e+01 -1.318e-01 -8.535e-02 -4.168e-02 / CHEB/ 2.991e+01 4.954e-02 3.183e-02 1.528e-02 / CHEB/ 1.523e-01 5.292e-02 3.260e-02 1.436e-02 / CHEB/ -1.941e-02 2.533e-02 1.578e-02 7.126e-03 / CHEB/ -1.254e-03 -1.171e-02 -6.291e-03 -1.866e-03 / CHEB/ 6.521e-03 -1.356e-02 -7.762e-03 -2.838e-03 /

1637.

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PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-4.1	-2.1	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-11.9	-4.5	-2.2	-1.3

Chebyshev(coeffs=[[-4.32016,-1.64845,-0.430076,-0.0217745],[8.85358,1.46633,0.20101,-0.0710554],[0.373575,0.13949,0.141372,0.0227282],[-0.121863,-0.0421516,0.0251312,0.0263991],[-0.0664314,-0.0441805,-0.0108705,0.0090351],[-0.0196575,-0.0157386,-0.00854853,0.000410547]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.29
S298 (cal/mol*K) = -47.71
G298 (kcal/mol) = 11.92

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(329); C2H4(115), C7H11(329); C5H7(210)+C2H4(115)(+M)=>C7H11(329)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.320e+00 -1.648e+00 -4.301e-01 -2.177e-02 / CHEB/ 8.854e+00 1.466e+00 2.010e-01 -7.106e-02 / CHEB/ 3.736e-01 1.395e-01 1.414e-01 2.273e-02 / CHEB/ -1.219e-01 -4.215e-02 2.513e-02 2.640e-02 / CHEB/ -6.643e-02 -4.418e-02 -1.087e-02 9.035e-03 / CHEB/ -1.966e-02 -1.574e-02 -8.549e-03 4.105e-04 /

1638.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-3.4	-2.1	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-4.0	-2.3	-1.8

Chebyshev(coeffs=[[-2.60894,-2.08548,-0.387239,-0.0104363],[7.02963,1.66163,0.0654944,-0.07541],[0.0591528,0.298149,0.146048,-0.00531219],[-0.179502,-0.0241933,0.0592283,0.0245213],[-0.100666,-0.0630361,0.00231853,0.0156353],[-0.0354381,-0.0245649,-0.00889238,0.00378922]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.50
S298 (cal/mol*K) = -44.31
G298 (kcal/mol) = 5.70

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(321); C2H4(115), C7H11(321); C5H7(210)+C2H4(115)(+M)=>C7H11(321)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.609e+00 -2.085e+00 -3.872e-01 -1.044e-02 / CHEB/ 7.030e+00 1.662e+00 6.549e-02 -7.541e-02 / CHEB/ 5.915e-02 2.981e-01 1.460e-01 -5.312e-03 / CHEB/ -1.795e-01 -2.419e-02 5.923e-02 2.452e-02 / CHEB/ -1.007e-01 -6.304e-02 2.319e-03 1.564e-02 / CHEB/ -3.544e-02 -2.456e-02 -8.892e-03 3.789e-03 /

1639.

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PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-5.6	-2.9	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-14.5	-5.9	-3.0	-1.7

Chebyshev(coeffs=[[-6.92328,-1.31832,-0.459948,-0.0437171],[10.8556,1.15891,0.289868,-0.0452332],[0.473996,0.117657,0.105232,0.0342334],[-0.0665603,-0.0225116,0.0130553,0.0188682],[-0.039354,-0.0369027,-0.0103113,0.00559324],[-0.0102188,-0.018269,-0.00643516,0.000503342]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.72
S298 (cal/mol*K) = -26.72
G298 (kcal/mol) = 23.68

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(307); C2H4(115), C7H11(307); C5H7(210)+C2H4(115)(+M)=>C7H11(307)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.923e+00 -1.318e+00 -4.599e-01 -4.372e-02 / CHEB/ 1.086e+01 1.159e+00 2.899e-01 -4.523e-02 / CHEB/ 4.740e-01 1.177e-01 1.052e-01 3.423e-02 / CHEB/ -6.656e-02 -2.251e-02 1.306e-02 1.887e-02 / CHEB/ -3.935e-02 -3.690e-02 -1.031e-02 5.593e-03 / CHEB/ -1.022e-02 -1.827e-02 -6.435e-03 5.033e-04 /

1640.

→

PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.2	-5.8	-3.8	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-13.5	-6.2	-3.9	-3.0

Chebyshev(coeffs=[[-5.80896,-1.7958,-0.408841,-0.0174267],[8.64651,1.58035,0.153166,-0.0726889],[0.347104,0.174619,0.152606,0.0137177],[-0.102979,-0.0490175,0.0350685,0.0282085],[-0.0546052,-0.0516339,-0.00934609,0.0113749],[-0.022106,-0.0158702,-0.00999991,0.00100165]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.15
S298 (cal/mol*K) = -25.13
G298 (kcal/mol) = 10.64

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(330); C2H4(115), C7H11(330); C5H7(210)+C2H4(115)(+M)=>C7H11(330)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.809e+00 -1.796e+00 -4.088e-01 -1.743e-02 / CHEB/ 8.647e+00 1.580e+00 1.532e-01 -7.269e-02 / CHEB/ 3.471e-01 1.746e-01 1.526e-01 1.372e-02 / CHEB/ -1.030e-01 -4.902e-02 3.507e-02 2.821e-02 / CHEB/ -5.461e-02 -5.163e-02 -9.346e-03 1.137e-02 / CHEB/ -2.211e-02 -1.587e-02 -1.000e-02 1.002e-03 /

1641.

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PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.1	-13.9	-9.9	-7.9
log₁₀(k(10 bar)/[mole,m,s])	-25.6	-14.1	-10.0	-7.9

Chebyshev(coeffs=[[-18.1544,-0.607267,-0.326905,-0.105293],[15.7388,0.457256,0.230957,0.0591326],[0.46339,0.114982,0.0601251,0.0181118],[0.0384137,0.0110554,0.00955416,0.00652727],[-0.0098346,-0.0241862,-0.00684567,0.00311849],[-0.00341804,-0.0185837,-0.00743103,3.79184e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.83
S298 (cal/mol*K) = -42.24
G298 (kcal/mol) = -5.24

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H11(327); C2H4(115), C7H11(327); C5H7(210)+C2H4(115)(+M)=>C7H11(327)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.815e+01 -6.073e-01 -3.269e-01 -1.053e-01 / CHEB/ 1.574e+01 4.573e-01 2.310e-01 5.913e-02 / CHEB/ 4.634e-01 1.150e-01 6.013e-02 1.811e-02 / CHEB/ 3.841e-02 1.106e-02 9.554e-03 6.527e-03 / CHEB/ -9.835e-03 -2.419e-02 -6.846e-03 3.118e-03 / CHEB/ -3.418e-03 -1.858e-02 -7.431e-03 3.792e-05 /

1642.

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PDepNetwork #19

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-45.9	-23.7	-16.1	-12.3
log₁₀(k(10 bar)/[mole,m,s])	-46.0	-23.7	-16.2	-12.4

Chebyshev(coeffs=[[-37.9326,-0.120531,-0.0784728,-0.0387171],[31.3187,0.0459944,0.0297481,0.0144767],[0.222808,0.049826,0.0310158,0.0139665],[0.048247,0.022719,0.0143006,0.00659763],[-0.00490546,-0.0112538,-0.00621061,-0.0020213],[-0.00783251,-0.0124123,-0.00722838,-0.00277094]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.84
S298 (cal/mol*K) = -21.47
G298 (kcal/mol) = 105.24

! PDep reaction: PDepNetwork #19 ! Flux pairs: C5H7(210), C7H10(331); C2H4(115), H(25); C5H7(210)+C2H4(115)(+M)=>H(25)+C7H10(331)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.793e+01 -1.205e-01 -7.847e-02 -3.872e-02 / CHEB/ 3.132e+01 4.599e-02 2.975e-02 1.448e-02 / CHEB/ 2.228e-01 4.983e-02 3.102e-02 1.397e-02 / CHEB/ 4.825e-02 2.272e-02 1.430e-02 6.598e-03 / CHEB/ -4.905e-03 -1.125e-02 -6.211e-03 -2.021e-03 / CHEB/ -7.833e-03 -1.241e-02 -7.228e-03 -2.771e-03 /

1643.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+2.6	+2.4	+2.3
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+2.3	+2.3	+2.2

Chebyshev(coeffs=[[8.06508,-0.563309,-0.336874,-0.140191],[0.270412,0.262377,0.153166,0.0599217],[-0.0581284,0.125476,0.0719783,0.0270322],[-0.0314325,0.0937463,0.0523967,0.0185499],[-0.0266081,0.0170004,0.0115274,0.00619156],[-0.019743,-0.0154109,-0.00707949,-0.00097069]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -46.75
S298 (cal/mol*K) = -34.11
G298 (kcal/mol) = -36.58

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(65); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>C7H10(65)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.065e+00 -5.633e-01 -3.369e-01 -1.402e-01 / CHEB/ 2.704e-01 2.624e-01 1.532e-01 5.992e-02 / CHEB/ -5.813e-02 1.255e-01 7.198e-02 2.703e-02 / CHEB/ -3.143e-02 9.375e-02 5.240e-02 1.855e-02 / CHEB/ -2.661e-02 1.700e-02 1.153e-02 6.192e-03 / CHEB/ -1.974e-02 -1.541e-02 -7.079e-03 -9.707e-04 /

1644.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-5.6	-3.5	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-5.7	-3.6	-2.4

Chebyshev(coeffs=[[-4.29434,-0.29494,-0.189478,-0.0912819],[7.28532,0.146385,0.0926224,0.0433459],[0.455463,0.0658419,0.0410725,0.0185656],[0.111816,0.0478451,0.0299305,0.0136637],[0.00171551,0.00439526,0.00376953,0.00270142],[-0.0137225,-0.0106852,-0.00608726,-0.00220687]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.37
S298 (cal/mol*K) = -22.49
G298 (kcal/mol) = 26.07

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(31); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.294e+00 -2.949e-01 -1.895e-01 -9.128e-02 / CHEB/ 7.285e+00 1.464e-01 9.262e-02 4.335e-02 / CHEB/ 4.555e-01 6.584e-02 4.107e-02 1.857e-02 / CHEB/ 1.118e-01 4.785e-02 2.993e-02 1.366e-02 / CHEB/ 1.716e-03 4.395e-03 3.770e-03 2.701e-03 / CHEB/ -1.372e-02 -1.069e-02 -6.087e-03 -2.207e-03 /

1645.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-5.4	-3.3	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-5.5	-3.3	-2.2

Chebyshev(coeffs=[[-4.17922,-0.29494,-0.189478,-0.0912819],[7.39219,0.146385,0.0926224,0.0433459],[0.479062,0.0658419,0.0410725,0.0185656],[0.118764,0.0478451,0.0299305,0.0136637],[0.00401593,0.00439526,0.00376953,0.00270142],[-0.0129121,-0.0106852,-0.00608726,-0.00220687]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.37
S298 (cal/mol*K) = -21.11
G298 (kcal/mol) = 25.66

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(35); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.179e+00 -2.949e-01 -1.895e-01 -9.128e-02 / CHEB/ 7.392e+00 1.464e-01 9.262e-02 4.335e-02 / CHEB/ 4.791e-01 6.584e-02 4.107e-02 1.857e-02 / CHEB/ 1.188e-01 4.785e-02 2.993e-02 1.366e-02 / CHEB/ 4.016e-03 4.395e-03 3.770e-03 2.701e-03 / CHEB/ -1.291e-02 -1.069e-02 -6.087e-03 -2.207e-03 /

1646.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.7	-8.4	-5.6	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-15.9	-8.5	-5.7	-4.2

Chebyshev(coeffs=[[-8.93556,-0.231716,-0.15117,-0.0749501],[10.2171,0.101252,0.0652844,0.0316775],[0.422791,0.0573608,0.0363604,0.0169958],[0.130873,0.0420057,0.0267736,0.012686],[0.0128651,0.00399696,0.00330008,0.00228055],[-0.00967471,-0.00899714,-0.00527699,-0.00206479]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.92
S298 (cal/mol*K) = -24.20
G298 (kcal/mol) = 37.13

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(30); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.936e+00 -2.317e-01 -1.512e-01 -7.495e-02 / CHEB/ 1.022e+01 1.013e-01 6.528e-02 3.168e-02 / CHEB/ 4.228e-01 5.736e-02 3.636e-02 1.700e-02 / CHEB/ 1.309e-01 4.201e-02 2.677e-02 1.269e-02 / CHEB/ 1.287e-02 3.997e-03 3.300e-03 2.281e-03 / CHEB/ -9.675e-03 -8.997e-03 -5.277e-03 -2.065e-03 /

1647.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.7	-8.4	-5.6	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-15.9	-8.5	-5.7	-4.2

H298 (kcal/mol) = 29.92
S298 (cal/mol*K) = -24.20
G298 (kcal/mol) = 37.13

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(29); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.936e+00 -2.317e-01 -1.512e-01 -7.495e-02 / CHEB/ 1.022e+01 1.013e-01 6.528e-02 3.168e-02 / CHEB/ 4.228e-01 5.736e-02 3.636e-02 1.700e-02 / CHEB/ 1.309e-01 4.201e-02 2.677e-02 1.269e-02 / CHEB/ 1.287e-02 3.997e-03 3.300e-03 2.281e-03 / CHEB/ -9.675e-03 -8.997e-03 -5.277e-03 -2.065e-03 /

1648.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+0.1	-0.5	-1.2
log₁₀(k(10 bar)/[mole,m,s])	+1.0	+0.8	+0.3	-0.3

Chebyshev(coeffs=[[5.83508,1.39797,-0.356949,-0.145851],[-0.576935,0.23427,0.137702,0.0546082],[-0.245318,0.133869,0.0751176,0.026662],[-0.118072,0.11076,0.060042,0.0195897],[-0.123251,0.0279193,0.0167789,0.00733991],[-0.0865717,-0.0120093,-0.00505862,-0.00012702]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -67.37
S298 (cal/mol*K) = -57.15
G298 (kcal/mol) = -50.34

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(329); C2H4(72), C7H11(329); C5H7(210)+C2H4(72)(+M)=>C7H11(329)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.835e+00 1.398e+00 -3.569e-01 -1.459e-01 / CHEB/ -5.769e-01 2.343e-01 1.377e-01 5.461e-02 / CHEB/ -2.453e-01 1.339e-01 7.512e-02 2.666e-02 / CHEB/ -1.181e-01 1.108e-01 6.004e-02 1.959e-02 / CHEB/ -1.233e-01 2.792e-02 1.678e-02 7.340e-03 / CHEB/ -8.657e-02 -1.201e-02 -5.059e-03 -1.270e-04 /

1649.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+1.9	+1.1	+0.5
log₁₀(k(10 bar)/[mole,m,s])	+3.4	+2.6	+1.9	+1.4

Chebyshev(coeffs=[[7.88668,1.4286,-0.33679,-0.135499],[-0.800685,0.225404,0.130594,0.0498583],[-0.488768,0.135456,0.0755411,0.0263285],[-0.135244,0.102081,0.0543091,0.0166312],[-0.032846,0.0210987,0.0127331,0.00562182],[-0.0156163,-0.0144659,-0.00613004,-0.000238339]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.58
S298 (cal/mol*K) = -53.75
G298 (kcal/mol) = -56.56

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(321); C2H4(72), C7H11(321); C5H7(210)+C2H4(72)(+M)=>C7H11(321)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.887e+00 1.429e+00 -3.368e-01 -1.355e-01 / CHEB/ -8.007e-01 2.254e-01 1.306e-01 4.986e-02 / CHEB/ -4.888e-01 1.355e-01 7.554e-02 2.633e-02 / CHEB/ -1.352e-01 1.021e-01 5.431e-02 1.663e-02 / CHEB/ -3.285e-02 2.110e-02 1.273e-02 5.622e-03 / CHEB/ -1.562e-02 -1.447e-02 -6.130e-03 -2.383e-04 /

1650.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.4	+4.7	+4.5	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+4.1	+4.4	+4.4	+4.3

Chebyshev(coeffs=[[10.0311,-0.561311,-0.335779,-0.139819],[0.377195,0.260347,0.151882,0.0593215],[-0.0469155,0.123526,0.0709249,0.0266946],[-0.036967,0.0926858,0.0518151,0.0183467],[-0.0316394,0.0170161,0.0115096,0.00615517],[-0.0223113,-0.0150061,-0.00689161,-0.000939898]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.35
S298 (cal/mol*K) = -36.16
G298 (kcal/mol) = -38.58

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(307); C2H4(72), C7H11(307); C5H7(210)+C2H4(72)(+M)=>C7H11(307)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.003e+01 -5.613e-01 -3.358e-01 -1.398e-01 / CHEB/ 3.772e-01 2.603e-01 1.519e-01 5.932e-02 / CHEB/ -4.692e-02 1.235e-01 7.092e-02 2.669e-02 / CHEB/ -3.697e-02 9.269e-02 5.182e-02 1.835e-02 / CHEB/ -3.164e-02 1.702e-02 1.151e-02 6.155e-03 / CHEB/ -2.231e-02 -1.501e-02 -6.892e-03 -9.399e-04 /

1651.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.0	+3.8	+3.8	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+3.6	+3.4	+3.6	+3.9

Chebyshev(coeffs=[[9.52232,-0.633767,-0.350038,-0.140692],[0.159075,0.200087,0.123768,0.0623775],[0.0196039,0.114569,0.0601235,0.0236482],[0.0855032,0.109124,0.0513095,0.0137795],[0.0641785,0.0412856,0.015324,0.00196567],[0.0343487,0.00789522,-0.00121328,-0.00432434]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.92
S298 (cal/mol*K) = -34.57
G298 (kcal/mol) = -51.62

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(330); C2H4(72), C7H11(330); C5H7(210)+C2H4(72)(+M)=>C7H11(330)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.522e+00 -6.338e-01 -3.500e-01 -1.407e-01 / CHEB/ 1.591e-01 2.001e-01 1.238e-01 6.238e-02 / CHEB/ 1.960e-02 1.146e-01 6.012e-02 2.365e-02 / CHEB/ 8.550e-02 1.091e-01 5.131e-02 1.378e-02 / CHEB/ 6.418e-02 4.129e-02 1.532e-02 1.966e-03 / CHEB/ 3.435e-02 7.895e-03 -1.213e-03 -4.324e-03 /

1652.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	-2.4	-1.8	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-4.1	-2.7	-1.9	-1.6

Chebyshev(coeffs=[[2.35854,-0.510618,-0.3089,-0.131785],[1.63553,0.280904,0.164291,0.064691],[0.372222,0.103195,0.0614526,0.0251968],[0.072013,0.0727283,0.0422506,0.0164414],[-0.0048564,0.00852096,0.00700448,0.00475946],[-0.0139636,-0.0155068,-0.00773035,-0.00175602]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -82.90
S298 (cal/mol*K) = -51.69
G298 (kcal/mol) = -67.50

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(327); C2H4(72), C7H11(327); C5H7(210)+C2H4(72)(+M)=>C7H11(327)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.359e+00 -5.106e-01 -3.089e-01 -1.318e-01 / CHEB/ 1.636e+00 2.809e-01 1.643e-01 6.469e-02 / CHEB/ 3.722e-01 1.032e-01 6.145e-02 2.520e-02 / CHEB/ 7.201e-02 7.273e-02 4.225e-02 1.644e-02 / CHEB/ -4.856e-03 8.521e-03 7.004e-03 4.759e-03 / CHEB/ -1.396e-02 -1.551e-02 -7.730e-03 -1.756e-03 /

1653.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.6	-10.3	-7.1	-5.4
log₁₀(k(10 bar)/[mole,m,s])	-18.7	-10.4	-7.1	-5.4

Chebyshev(coeffs=[[-11.6265,-0.208523,-0.136763,-0.0684699],[11.5472,0.0906354,0.0587235,0.02875],[0.493876,0.0525047,0.0335568,0.0159484],[0.153665,0.0382893,0.0246219,0.0118695],[0.0217453,0.0031834,0.002724,0.00195462],[-0.00618674,-0.00841061,-0.00500142,-0.00202506]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.77
S298 (cal/mol*K) = -30.91
G298 (kcal/mol) = 42.98

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(331); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(331)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.163e+01 -2.085e-01 -1.368e-01 -6.847e-02 / CHEB/ 1.155e+01 9.064e-02 5.872e-02 2.875e-02 / CHEB/ 4.939e-01 5.250e-02 3.356e-02 1.595e-02 / CHEB/ 1.537e-01 3.829e-02 2.462e-02 1.187e-02 / CHEB/ 2.175e-02 3.183e-03 2.724e-03 1.955e-03 / CHEB/ -6.187e-03 -8.411e-03 -5.001e-03 -2.025e-03 /

1654.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	-1.8	-1.2	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-3.1	-1.8	-1.2	-1.0

Chebyshev(coeffs=[[3.20818,-0.212445,-0.122188,-0.0559799],[1.53781,0.115827,0.061724,0.0295377],[0.26785,0.059548,0.0355598,0.0132847],[0.0459906,0.0223696,0.0131629,0.00549686],[-0.0216341,-0.0103133,-0.00529646,-0.00118264],[-0.0221975,-0.010263,-0.00577479,-0.00211959]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -57.62
S298 (cal/mol*K) = -22.80
G298 (kcal/mol) = -50.83

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(65); H(25), H(25); C7H10(18)+H(25)(+M)=>C7H10(65)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.208e+00 -2.124e-01 -1.222e-01 -5.598e-02 / CHEB/ 1.538e+00 1.158e-01 6.172e-02 2.954e-02 / CHEB/ 2.679e-01 5.955e-02 3.556e-02 1.328e-02 / CHEB/ 4.599e-02 2.237e-02 1.316e-02 5.497e-03 / CHEB/ -2.163e-02 -1.031e-02 -5.296e-03 -1.183e-03 / CHEB/ -2.220e-02 -1.026e-02 -5.775e-03 -2.120e-03 /

1655.

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PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.6	-8.6	-6.3	-5.1
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-8.6	-6.3	-5.1

Chebyshev(coeffs=[[-6.43772,-0.154042,-0.0922189,-0.0426657],[6.26769,0.0916384,0.0517431,0.0239615],[0.963197,0.0432832,0.0268246,0.0110005],[0.162682,0.0155481,0.00989478,0.00443375],[-0.0114161,-0.00897151,-0.0051315,-0.00169603],[-0.0242271,-0.00810496,-0.00483988,-0.00203146]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.49
S298 (cal/mol*K) = -11.18
G298 (kcal/mol) = 11.82

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(31); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.438e+00 -1.540e-01 -9.222e-02 -4.267e-02 / CHEB/ 6.268e+00 9.164e-02 5.174e-02 2.396e-02 / CHEB/ 9.632e-01 4.328e-02 2.682e-02 1.100e-02 / CHEB/ 1.627e-01 1.555e-02 9.895e-03 4.434e-03 / CHEB/ -1.142e-02 -8.972e-03 -5.131e-03 -1.696e-03 / CHEB/ -2.423e-02 -8.105e-03 -4.840e-03 -2.031e-03 /

1656.

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PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-8.4	-6.1	-4.8
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-8.5	-6.1	-4.8

Chebyshev(coeffs=[[-6.3226,-0.154042,-0.0922189,-0.0426657],[6.37456,0.0916384,0.0517431,0.0239615],[0.986795,0.0432832,0.0268246,0.0110005],[0.169629,0.0155481,0.00989478,0.00443375],[-0.00911566,-0.00897151,-0.0051315,-0.00169603],[-0.0234167,-0.00810496,-0.00483988,-0.00203146]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.49
S298 (cal/mol*K) = -9.80
G298 (kcal/mol) = 11.41

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(35); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.323e+00 -1.540e-01 -9.222e-02 -4.267e-02 / CHEB/ 6.375e+00 9.164e-02 5.174e-02 2.396e-02 / CHEB/ 9.868e-01 4.328e-02 2.682e-02 1.100e-02 / CHEB/ 1.696e-01 1.555e-02 9.895e-03 4.434e-03 / CHEB/ -9.116e-03 -8.972e-03 -5.131e-03 -1.696e-03 / CHEB/ -2.342e-02 -8.105e-03 -4.840e-03 -2.031e-03 /

1657.

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PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.8	-11.1	-8.2	-6.7
log₁₀(k(10 bar)/[mole,m,s])	-17.9	-11.2	-8.3	-6.7

Chebyshev(coeffs=[[-10.4993,-0.13137,-0.0799974,-0.0372194],[8.70108,0.07252,0.0416694,0.0190728],[0.930464,0.0417321,0.0261705,0.0112329],[0.198268,0.0148089,0.0094425,0.00438373],[0.000110195,-0.00821316,-0.00482803,-0.00175822],[-0.0207086,-0.00765606,-0.00461578,-0.00199587]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.04
S298 (cal/mol*K) = -12.89
G298 (kcal/mol) = 22.88

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(30); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.050e+01 -1.314e-01 -8.000e-02 -3.722e-02 / CHEB/ 8.701e+00 7.252e-02 4.167e-02 1.907e-02 / CHEB/ 9.305e-01 4.173e-02 2.617e-02 1.123e-02 / CHEB/ 1.983e-01 1.481e-02 9.443e-03 4.384e-03 / CHEB/ 1.102e-04 -8.213e-03 -4.828e-03 -1.758e-03 / CHEB/ -2.071e-02 -7.656e-03 -4.616e-03 -1.996e-03 /

1658.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.8	-11.1	-8.2	-6.7
log₁₀(k(10 bar)/[mole,m,s])	-17.9	-11.2	-8.3	-6.7

H298 (kcal/mol) = 19.04
S298 (cal/mol*K) = -12.89
G298 (kcal/mol) = 22.88

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(29); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.050e+01 -1.314e-01 -8.000e-02 -3.722e-02 / CHEB/ 8.701e+00 7.252e-02 4.167e-02 1.907e-02 / CHEB/ 9.305e-01 4.173e-02 2.617e-02 1.123e-02 / CHEB/ 1.983e-01 1.481e-02 9.443e-03 4.384e-03 / CHEB/ 1.102e-04 -8.213e-03 -4.828e-03 -1.758e-03 / CHEB/ -2.071e-02 -7.656e-03 -4.616e-03 -1.996e-03 /

1659.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+1.1	+1.3	+1.2
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+1.0	+1.2	+1.2

Chebyshev(coeffs=[[6.36753,-0.216048,-0.124058,-0.0568197],[0.875639,0.113832,0.0603517,0.0289699],[0.064428,0.0601882,0.0358308,0.0133103],[-0.0270006,0.0232636,0.0135924,0.0056614],[-0.0474831,-0.010024,-0.00511848,-0.00105422],[-0.0304872,-0.0103163,-0.00577864,-0.00207518]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -78.24
S298 (cal/mol*K) = -45.84
G298 (kcal/mol) = -64.58

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(329); H(25), C7H11(329); C7H10(18)+H(25)(+M)=>C7H11(329)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.368e+00 -2.160e-01 -1.241e-01 -5.682e-02 / CHEB/ 8.756e-01 1.138e-01 6.035e-02 2.897e-02 / CHEB/ 6.443e-02 6.019e-02 3.583e-02 1.331e-02 / CHEB/ -2.700e-02 2.326e-02 1.359e-02 5.661e-03 / CHEB/ -4.748e-02 -1.002e-02 -5.118e-03 -1.054e-03 / CHEB/ -3.049e-02 -1.032e-02 -5.779e-03 -2.075e-03 /

1660.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+0.4	+0.3	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-0.3	+0.3	+0.2	+0.0

Chebyshev(coeffs=[[5.68019,-0.223857,-0.128041,-0.0586262],[0.623046,0.109911,0.0575498,0.0278209],[-0.105587,0.0618334,0.0365949,0.0134296],[-0.090254,0.0253487,0.0146309,0.0060769],[-0.0657321,-0.00933336,-0.00466975,-0.000720795],[-0.0343166,-0.0104072,-0.00574935,-0.00193104]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -83.45
S298 (cal/mol*K) = -42.44
G298 (kcal/mol) = -70.81

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(321); H(25), C7H11(321); C7H10(18)+H(25)(+M)=>C7H11(321)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.680e+00 -2.239e-01 -1.280e-01 -5.863e-02 / CHEB/ 6.230e-01 1.099e-01 5.755e-02 2.782e-02 / CHEB/ -1.056e-01 6.183e-02 3.659e-02 1.343e-02 / CHEB/ -9.025e-02 2.535e-02 1.463e-02 6.077e-03 / CHEB/ -6.573e-02 -9.333e-03 -4.670e-03 -7.208e-04 / CHEB/ -3.432e-02 -1.041e-02 -5.749e-03 -1.931e-03 /

1661.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+0.3	+0.8	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-1.2	+0.2	+0.8	+1.0

Chebyshev(coeffs=[[5.18242,-0.21252,-0.122271,-0.0560168],[1.6045,0.115117,0.0613416,0.0293533],[0.26248,0.059091,0.0352798,0.0131677],[0.0342731,0.0222634,0.0130906,0.00546367],[-0.0290681,-0.0102538,-0.00527651,-0.00117852],[-0.025752,-0.0102046,-0.00574955,-0.00210988]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.23
S298 (cal/mol*K) = -24.85
G298 (kcal/mol) = -52.82

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(307); H(25), C7H11(307); C7H10(18)+H(25)(+M)=>C7H11(307)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.182e+00 -2.125e-01 -1.223e-01 -5.602e-02 / CHEB/ 1.604e+00 1.151e-01 6.134e-02 2.935e-02 / CHEB/ 2.625e-01 5.909e-02 3.528e-02 1.317e-02 / CHEB/ 3.427e-02 2.226e-02 1.309e-02 5.464e-03 / CHEB/ -2.907e-02 -1.025e-02 -5.277e-03 -1.179e-03 / CHEB/ -2.575e-02 -1.020e-02 -5.750e-03 -2.110e-03 /

1662.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.6	+6.1	+6.2	+6.2
log₁₀(k(10 bar)/[mole,m,s])	+4.8	+5.5	+5.9	+6.2

Chebyshev(coeffs=[[11.3457,-1.1157,-0.263461,0.0278035],[0.697111,0.712978,0.0289835,-0.0789896],[0.0398565,0.159571,0.0872624,-0.00777995],[0.0231346,0.0674739,0.0375562,0.00924198],[0.026169,0.0496226,0.0185592,0.00484735],[0.00323352,0.0159392,0.0126974,0.00462494]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.80
S298 (cal/mol*K) = -23.26
G298 (kcal/mol) = -65.87

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(330); H(25), C7H11(330); C7H10(18)+H(25)(+M)=>C7H11(330)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.135e+01 -1.116e+00 -2.635e-01 2.780e-02 / CHEB/ 6.971e-01 7.130e-01 2.898e-02 -7.899e-02 / CHEB/ 3.986e-02 1.596e-01 8.726e-02 -7.780e-03 / CHEB/ 2.313e-02 6.747e-02 3.756e-02 9.242e-03 / CHEB/ 2.617e-02 4.962e-02 1.856e-02 4.847e-03 / CHEB/ 3.234e-03 1.594e-02 1.270e-02 4.625e-03 /

1663.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.9	+3.5	+3.7	+3.8
log₁₀(k(10 bar)/[mole,m,s])	+2.3	+3.1	+3.6	+3.7

Chebyshev(coeffs=[[8.81145,-0.740449,-0.274167,-0.0411127],[0.731815,0.38907,0.108116,0.00508329],[0.160989,0.205598,0.0673442,-0.00816306],[0.0352591,0.0829588,0.0367113,0.00316692],[-0.0192606,-0.00287442,0.0092977,0.0095823],[-0.0222212,-0.0193081,-0.00153995,0.00523621]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -93.78
S298 (cal/mol*K) = -40.38
G298 (kcal/mol) = -81.75

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(327); H(25), C7H11(327); C7H10(18)+H(25)(+M)=>C7H11(327)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.811e+00 -7.404e-01 -2.742e-01 -4.111e-02 / CHEB/ 7.318e-01 3.891e-01 1.081e-01 5.083e-03 / CHEB/ 1.610e-01 2.056e-01 6.734e-02 -8.163e-03 / CHEB/ 3.526e-02 8.296e-02 3.671e-02 3.167e-03 / CHEB/ -1.926e-02 -2.874e-03 9.298e-03 9.582e-03 / CHEB/ -2.222e-02 -1.931e-02 -1.540e-03 5.236e-03 /

1664.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.4	-12.9	-9.6	-7.9
log₁₀(k(10 bar)/[mole,m,s])	-20.5	-12.9	-9.6	-7.9

Chebyshev(coeffs=[[-12.9702,-0.121775,-0.0747615,-0.0349143],[9.91021,0.0668531,0.0387907,0.0176329],[0.978492,0.0398221,0.0251904,0.0110615],[0.223416,0.0141382,0.00906738,0.00431139],[0.0104968,-0.00792082,-0.00471007,-0.00179163],[-0.0168053,-0.00739053,-0.0044884,-0.00197229]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.89
S298 (cal/mol*K) = -19.60
G298 (kcal/mol) = 28.73

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(331); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(331)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.297e+01 -1.218e-01 -7.476e-02 -3.491e-02 / CHEB/ 9.910e+00 6.685e-02 3.879e-02 1.763e-02 / CHEB/ 9.785e-01 3.982e-02 2.519e-02 1.106e-02 / CHEB/ 2.234e-01 1.414e-02 9.067e-03 4.311e-03 / CHEB/ 1.050e-02 -7.921e-03 -4.710e-03 -1.792e-03 / CHEB/ -1.681e-02 -7.391e-03 -4.488e-03 -1.972e-03 /

1703.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.7	-6.3	+0.4	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-29.3	-6.1	+1.0	+4.2

Chebyshev(coeffs=[[-27.4978,-0.178401,-0.425998,0.015329],[31.3985,1.48008,0.0119018,-0.109353],[-0.295121,0.344356,0.120946,-0.0215867],[-0.263235,-0.0180583,0.0674113,0.0198418],[-0.0841267,-0.0276391,0.0158039,0.0153402],[-0.0208688,-0.00631767,-0.00443841,0.00432657]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.56
S298 (cal/mol*K) = 43.47
G298 (kcal/mol) = 74.61

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), H(25); C7H10(1), C7H9(209); C7H10(1)(+M)=>H(25)+C7H9(209)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.750e+01 -1.784e-01 -4.260e-01 1.533e-02 / CHEB/ 3.140e+01 1.480e+00 1.190e-02 -1.094e-01 / CHEB/ -2.951e-01 3.444e-01 1.209e-01 -2.159e-02 / CHEB/ -2.632e-01 -1.806e-02 6.741e-02 1.984e-02 / CHEB/ -8.413e-02 -2.764e-02 1.580e-02 1.534e-02 / CHEB/ -2.087e-02 -6.318e-03 -4.438e-03 4.327e-03 /

1704.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.0	-5.2	+1.2	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-27.7	-5.1	+1.8	+4.7

Chebyshev(coeffs=[[-25.9803,-0.271404,-0.427379,0.020713],[30.632,1.43781,-0.01255,-0.106781],[-0.442543,0.380685,0.107828,-0.0280386],[-0.263468,-0.00118966,0.0701907,0.0153935],[-0.108057,-0.0278428,0.0199165,0.0148222],[-0.0555378,-0.0048104,-0.00229844,0.00502067]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.96
S298 (cal/mol*K) = 43.23
G298 (kcal/mol) = 65.08

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H9(5); C7H10(1), H(25); C7H10(1)(+M)=>C7H9(5)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.598e+01 -2.714e-01 -4.274e-01 2.071e-02 / CHEB/ 3.063e+01 1.438e+00 -1.255e-02 -1.068e-01 / CHEB/ -4.425e-01 3.807e-01 1.078e-01 -2.804e-02 / CHEB/ -2.635e-01 -1.190e-03 7.019e-02 1.539e-02 / CHEB/ -1.081e-01 -2.784e-02 1.992e-02 1.482e-02 / CHEB/ -5.554e-02 -4.810e-03 -2.298e-03 5.021e-03 /

1705.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.9	-10.6	-2.8	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-35.2	-10.1	-2.0	+1.8

Chebyshev(coeffs=[[-33.552,0.354667,-0.459149,-0.0160317],[34.6262,1.25553,0.160235,-0.0933581],[-0.118881,0.203198,0.118418,0.0105559],[-0.0874856,-0.0274532,0.0430624,0.0261916],[-0.0405862,-0.0170842,0.00424462,0.0117114],[-0.047144,-0.0114714,-0.0100174,0.000400832]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 110.96
S298 (cal/mol*K) = 50.47
G298 (kcal/mol) = 95.92

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), H(25); C7H10(1), C7H9(208); C7H10(1)(+M)=>H(25)+C7H9(208)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.355e+01 3.547e-01 -4.591e-01 -1.603e-02 / CHEB/ 3.463e+01 1.256e+00 1.602e-01 -9.336e-02 / CHEB/ -1.189e-01 2.032e-01 1.184e-01 1.056e-02 / CHEB/ -8.749e-02 -2.745e-02 4.306e-02 2.619e-02 / CHEB/ -4.059e-02 -1.708e-02 4.245e-03 1.171e-02 / CHEB/ -4.714e-02 -1.147e-02 -1.002e-02 4.008e-04 /

1706.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.9	-10.6	-2.8	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-35.2	-10.1	-2.0	+1.8

H298 (kcal/mol) = 110.96
S298 (cal/mol*K) = 50.47
G298 (kcal/mol) = 95.92

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), H(25); C7H10(1), C7H9(207); C7H10(1)(+M)=>H(25)+C7H9(207)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.355e+01 3.547e-01 -4.591e-01 -1.603e-02 / CHEB/ 3.463e+01 1.256e+00 1.602e-01 -9.336e-02 / CHEB/ -1.189e-01 2.032e-01 1.184e-01 1.056e-02 / CHEB/ -8.749e-02 -2.745e-02 4.306e-02 2.619e-02 / CHEB/ -4.059e-02 -1.708e-02 4.245e-03 1.171e-02 / CHEB/ -4.714e-02 -1.147e-02 -1.002e-02 4.008e-04 /

1707.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.1	-10.7	-3.4	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-34.5	-10.3	-2.7	+0.9

Chebyshev(coeffs=[[-32.7585,0.093201,-0.443415,0.00202045],[33.0017,1.42642,0.0931412,-0.108722],[-0.151468,0.249882,0.130898,-0.00218967],[-0.142282,-0.0317245,0.0526919,0.0260147],[-0.0515597,-0.0217487,0.00833719,0.0138889],[-0.0455571,-0.00871566,-0.0079275,0.0020216]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.62
S298 (cal/mol*K) = 29.77
G298 (kcal/mol) = 69.75

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(324); C7H10(1)(+M)=>C7H10(324)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.276e+01 9.320e-02 -4.434e-01 2.020e-03 / CHEB/ 3.300e+01 1.426e+00 9.314e-02 -1.087e-01 / CHEB/ -1.515e-01 2.499e-01 1.309e-01 -2.190e-03 / CHEB/ -1.423e-01 -3.172e-02 5.269e-02 2.601e-02 / CHEB/ -5.156e-02 -2.175e-02 8.337e-03 1.389e-02 / CHEB/ -4.556e-02 -8.716e-03 -7.927e-03 2.022e-03 /

1708.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.8	-3.7	+3.0	+6.0
log₁₀(k(10 bar)/[mole,m,s])	-26.4	-3.5	+3.6	+6.7

Chebyshev(coeffs=[[-24.678,-0.196864,-0.426448,0.0162759],[31.1359,1.47269,0.00653642,-0.109101],[-0.330084,0.350951,0.11833,-0.0229776],[-0.237829,-0.0159099,0.0679602,0.0190228],[-0.0904814,-0.0279292,0.0165066,0.0152701],[-0.0474333,-0.00569759,-0.00408106,0.00444225]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 84.61
S298 (cal/mol*K) = 44.02
G298 (kcal/mol) = 71.50

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(115); C7H10(1)(+M)=>C7H10(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.468e+01 -1.969e-01 -4.264e-01 1.628e-02 / CHEB/ 3.114e+01 1.473e+00 6.536e-03 -1.091e-01 / CHEB/ -3.301e-01 3.510e-01 1.183e-01 -2.298e-02 / CHEB/ -2.378e-01 -1.591e-02 6.796e-02 1.902e-02 / CHEB/ -9.048e-02 -2.793e-02 1.651e-02 1.527e-02 / CHEB/ -4.743e-02 -5.698e-03 -4.081e-03 4.442e-03 /

1709.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.7	-0.4	+5.6	+8.0
log₁₀(k(10 bar)/[mole,m,s])	-22.5	-0.4	+6.0	+8.6

Chebyshev(coeffs=[[-20.9547,-0.393191,-0.436435,0.0278861],[29.9578,1.32928,-0.0463071,-0.100967],[-0.683482,0.388094,0.08481,-0.0337936],[-0.356795,0.0166762,0.0665495,0.00914756],[-0.152746,-0.0251615,0.0228248,0.0127521],[-0.0696281,-0.00305863,0.000576722,0.00519781]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.97
S298 (cal/mol*K) = 40.06
G298 (kcal/mol) = 47.04

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(108); C7H10(1)(+M)=>C7H10(108)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.095e+01 -3.932e-01 -4.364e-01 2.789e-02 / CHEB/ 2.996e+01 1.329e+00 -4.631e-02 -1.010e-01 / CHEB/ -6.835e-01 3.881e-01 8.481e-02 -3.379e-02 / CHEB/ -3.568e-01 1.668e-02 6.655e-02 9.148e-03 / CHEB/ -1.527e-01 -2.516e-02 2.282e-02 1.275e-02 / CHEB/ -6.963e-02 -3.059e-03 5.767e-04 5.198e-03 /

1710.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.5	-5.6	+1.6	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-29.0	-5.2	+2.3	+5.7

Chebyshev(coeffs=[[-27.3017,0.0379985,-0.437838,0.00469062],[32.5013,1.45594,0.0757116,-0.109774],[-0.193343,0.261976,0.132482,-0.00568914],[-0.16875,-0.0317819,0.0552464,0.0256066],[-0.0585353,-0.0226332,0.00926728,0.0142891],[-0.046355,-0.00809432,-0.00744455,0.00238801]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.98
S298 (cal/mol*K) = 48.21
G298 (kcal/mol) = 83.62

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(88); C7H10(1)(+M)=>C7H10(88)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.730e+01 3.800e-02 -4.378e-01 4.691e-03 / CHEB/ 3.250e+01 1.456e+00 7.571e-02 -1.098e-01 / CHEB/ -1.933e-01 2.620e-01 1.325e-01 -5.689e-03 / CHEB/ -1.687e-01 -3.178e-02 5.525e-02 2.561e-02 / CHEB/ -5.854e-02 -2.263e-02 9.267e-03 1.429e-02 / CHEB/ -4.635e-02 -8.094e-03 -7.445e-03 2.388e-03 /

1711.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.0	-4.1	+3.2	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-27.5	-3.7	+3.9	+7.4

Chebyshev(coeffs=[[-25.7257,0.0054052,-0.43075,0.00568478],[32.4529,1.48714,0.063995,-0.109291],[-0.106268,0.265117,0.136112,-0.00766161],[-0.113968,-0.0333208,0.0563303,0.0259743],[-0.052048,-0.0238382,0.00950541,0.0145781],[-0.0724572,-0.00631462,-0.00747912,0.00233614]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.98
S298 (cal/mol*K) = 42.24
G298 (kcal/mol) = 66.39

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(332); C7H10(1)(+M)=>C7H10(332)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.573e+01 5.405e-03 -4.307e-01 5.685e-03 / CHEB/ 3.245e+01 1.487e+00 6.399e-02 -1.093e-01 / CHEB/ -1.063e-01 2.651e-01 1.361e-01 -7.662e-03 / CHEB/ -1.140e-01 -3.332e-02 5.633e-02 2.597e-02 / CHEB/ -5.205e-02 -2.384e-02 9.505e-03 1.458e-02 / CHEB/ -7.246e-02 -6.315e-03 -7.479e-03 2.336e-03 /

1712.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.2	-2.0	+4.0	+6.4
log₁₀(k(10 bar)/[mole,m,s])	-24.0	-2.0	+4.4	+7.0

Chebyshev(coeffs=[[-22.4443,-0.388522,-0.436082,0.0275898],[29.8184,1.33401,-0.0450863,-0.101262],[-0.710575,0.388406,0.0857019,-0.0336481],[-0.364079,0.0161928,0.0667597,0.00936156],[-0.154554,-0.0252489,0.0227563,0.01284],[-0.0701178,-0.0031221,0.00048406,0.00520566]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.45
S298 (cal/mol*K) = 31.49
G298 (kcal/mol) = 17.07

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(333); C7H10(1)(+M)=>C7H10(333)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.244e+01 -3.885e-01 -4.361e-01 2.759e-02 / CHEB/ 2.982e+01 1.334e+00 -4.509e-02 -1.013e-01 / CHEB/ -7.106e-01 3.884e-01 8.570e-02 -3.365e-02 / CHEB/ -3.641e-01 1.619e-02 6.676e-02 9.362e-03 / CHEB/ -1.546e-01 -2.525e-02 2.276e-02 1.284e-02 / CHEB/ -7.012e-02 -3.122e-03 4.841e-04 5.206e-03 /

1713.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.3	-13.1	-5.5	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-37.4	-12.5	-4.7	-1.1

Chebyshev(coeffs=[[-36.1461,0.557871,-0.458261,-0.0345867],[34.6844,1.08099,0.190065,-0.0709523],[-0.404738,0.195509,0.109087,0.0136758],[-0.131009,-0.020312,0.036913,0.0253794],[-0.0594766,-0.0195411,0.00207567,0.0106829],[-0.0574035,-0.0127045,-0.010801,-0.000796605]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.14
S298 (cal/mol*K) = 27.37
G298 (kcal/mol) = 69.98

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(334); C7H10(1)(+M)=>C7H10(334)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.615e+01 5.579e-01 -4.583e-01 -3.459e-02 / CHEB/ 3.468e+01 1.081e+00 1.901e-01 -7.095e-02 / CHEB/ -4.047e-01 1.955e-01 1.091e-01 1.368e-02 / CHEB/ -1.310e-01 -2.031e-02 3.691e-02 2.538e-02 / CHEB/ -5.948e-02 -1.954e-02 2.076e-03 1.068e-02 / CHEB/ -5.740e-02 -1.270e-02 -1.080e-02 -7.966e-04 /

1714.

→

PDepNetwork #1

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.6	-2.7	+3.2	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-24.4	-2.6	+3.7	+6.2

Chebyshev(coeffs=[[-22.926,-0.328791,-0.431873,0.0238894],[29.5364,1.38959,-0.029227,-0.104586],[-0.729642,0.386873,0.0969006,-0.0312421],[-0.362318,0.00789266,0.0687817,0.0122946],[-0.146393,-0.0266809,0.0214693,0.0138982],[-0.0658582,-0.00406713,-0.000852286,0.00519721]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.83
S298 (cal/mol*K) = 30.77
G298 (kcal/mol) = 61.66

! PDep reaction: PDepNetwork #1 ! Flux pairs: C7H10(1), C7H10(335); C7H10(1)(+M)=>C7H10(335)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.293e+01 -3.288e-01 -4.319e-01 2.389e-02 / CHEB/ 2.954e+01 1.390e+00 -2.923e-02 -1.046e-01 / CHEB/ -7.296e-01 3.869e-01 9.690e-02 -3.124e-02 / CHEB/ -3.623e-01 7.893e-03 6.878e-02 1.229e-02 / CHEB/ -1.464e-01 -2.668e-02 2.147e-02 1.390e-02 / CHEB/ -6.586e-02 -4.067e-03 -8.523e-04 5.197e-03 /

1715.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+7.1	+7.0	+6.5	+6.0
log₁₀(k(10 bar)/[mole,m,s])	+7.0	+7.2	+7.0	+6.7

Chebyshev(coeffs=[[12.7746,0.376035,-0.0746058,0.00297263],[-0.338171,0.618759,-0.0991843,-0.00623091],[-0.332731,0.357181,-0.020685,-0.0159211],[-0.184662,0.135028,0.0224504,-0.0113468],[-0.0730266,0.0202103,0.0235512,-0.00124392],[-0.0184321,-0.0111914,0.00830727,0.00410321]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -76.00
S298 (cal/mol*K) = -23.37
G298 (kcal/mol) = -69.04

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(65); H(25), C7H10(65); C7H9(5)+H(25)(+M)=>C7H10(65)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.277e+01 3.760e-01 -7.461e-02 2.973e-03 / CHEB/ -3.382e-01 6.188e-01 -9.918e-02 -6.231e-03 / CHEB/ -3.327e-01 3.572e-01 -2.069e-02 -1.592e-02 / CHEB/ -1.847e-01 1.350e-01 2.245e-02 -1.135e-02 / CHEB/ -7.303e-02 2.021e-02 2.355e-02 -1.244e-03 / CHEB/ -1.843e-02 -1.119e-02 8.307e-03 4.103e-03 /

1716.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.7	+1.5	+2.9	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-2.7	+1.4	+2.8	+3.4

Chebyshev(coeffs=[[4.03154,-0.0896401,0.0106754,-0.0135567],[5.20994,0.0137853,-0.0375534,0.0114674],[0.334554,0.0060578,-0.0119527,-0.0065402],[-0.0830103,0.00361066,-0.000176914,-0.00466996],[-0.0591599,0.00090614,0.00112488,-0.00150593],[-0.00180307,0.0012497,-0.000641843,-0.000461395]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.60
S298 (cal/mol*K) = 0.24
G298 (kcal/mol) = 9.53

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(209); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(209)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.032e+00 -8.964e-02 1.068e-02 -1.356e-02 / CHEB/ 5.210e+00 1.379e-02 -3.755e-02 1.147e-02 / CHEB/ 3.346e-01 6.058e-03 -1.195e-02 -6.540e-03 / CHEB/ -8.301e-02 3.611e-03 -1.769e-04 -4.670e-03 / CHEB/ -5.916e-02 9.061e-04 1.125e-03 -1.506e-03 / CHEB/ -1.803e-03 1.250e-03 -6.418e-04 -4.614e-04 /

1717.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.1	-2.9	-0.0	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-3.1	-0.1	+1.4

Chebyshev(coeffs=[[-4.30689,-0.778595,-0.201116,-0.0120644],[11.3294,0.674838,0.124835,-0.0217025],[0.405705,0.147216,0.0606028,0.0152805],[0.0260463,-0.0333771,0.00544748,0.00878595],[-0.0326675,-0.0426661,-0.0113075,-0.00104823],[-0.0149708,-0.0192172,-0.00730948,-0.00274823]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.00
S298 (cal/mol*K) = 7.24
G298 (kcal/mol) = 30.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(208); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(208)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.307e+00 -7.786e-01 -2.011e-01 -1.206e-02 / CHEB/ 1.133e+01 6.748e-01 1.248e-01 -2.170e-02 / CHEB/ 4.057e-01 1.472e-01 6.060e-02 1.528e-02 / CHEB/ 2.605e-02 -3.338e-02 5.447e-03 8.786e-03 / CHEB/ -3.267e-02 -4.267e-02 -1.131e-02 -1.048e-03 / CHEB/ -1.497e-02 -1.922e-02 -7.309e-03 -2.748e-03 /

1718.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.1	-2.9	-0.0	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-3.1	-0.1	+1.4

H298 (kcal/mol) = 33.00
S298 (cal/mol*K) = 7.24
G298 (kcal/mol) = 30.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(207); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(207)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.307e+00 -7.786e-01 -2.011e-01 -1.206e-02 / CHEB/ 1.133e+01 6.748e-01 1.248e-01 -2.170e-02 / CHEB/ 4.057e-01 1.472e-01 6.060e-02 1.528e-02 / CHEB/ 2.605e-02 -3.338e-02 5.447e-03 8.786e-03 / CHEB/ -3.267e-02 -4.267e-02 -1.131e-02 -1.048e-03 / CHEB/ -1.497e-02 -1.922e-02 -7.309e-03 -2.748e-03 /

1719.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-2.5	+0.1	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-2.6	+0.1	+1.3

Chebyshev(coeffs=[[-2.95616,-0.776547,-0.113539,0.0319422],[9.80884,0.902937,0.138473,-0.032005],[0.579941,0.011714,-0.0105745,-0.01265],[-0.0645502,-0.172399,-0.0377983,0.00554178],[-0.0918273,-0.0152949,0.0141913,0.0107869],[-0.0196947,0.0469859,0.0153558,-0.00255188]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.66
S298 (cal/mol*K) = -13.46
G298 (kcal/mol) = 4.68

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(324); H(25), C7H10(324); C7H9(5)+H(25)(+M)=>C7H10(324)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.956e+00 -7.765e-01 -1.135e-01 3.194e-02 / CHEB/ 9.809e+00 9.029e-01 1.385e-01 -3.201e-02 / CHEB/ 5.799e-01 1.171e-02 -1.057e-02 -1.265e-02 / CHEB/ -6.455e-02 -1.724e-01 -3.780e-02 5.542e-03 / CHEB/ -9.183e-02 -1.529e-02 1.419e-02 1.079e-02 / CHEB/ -1.969e-02 4.699e-02 1.536e-02 -2.552e-03 /

1720.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	+3.5	+5.8	+6.8
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+3.3	+5.7	+6.8

Chebyshev(coeffs=[[3.91854,-1.01542,-0.17705,0.0132254],[8.39301,0.84796,0.0636645,-0.0512111],[0.587887,0.205574,0.0781089,0.00768884],[-0.004469,-0.0260115,0.0191759,0.0163705],[-0.120191,-0.0475048,-0.0104225,0.00251401],[-0.0230453,-0.0256575,-0.00868542,-0.00358783]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.02
S298 (cal/mol*K) = -0.98
G298 (kcal/mol) = 1.31

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(332); H(25), C7H10(332); C7H9(5)+H(25)(+M)=>C7H10(332)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.919e+00 -1.015e+00 -1.771e-01 1.323e-02 / CHEB/ 8.393e+00 8.480e-01 6.366e-02 -5.121e-02 / CHEB/ 5.879e-01 2.056e-01 7.811e-02 7.689e-03 / CHEB/ -4.469e-03 -2.601e-02 1.918e-02 1.637e-02 / CHEB/ -1.202e-01 -4.750e-02 -1.042e-02 2.514e-03 / CHEB/ -2.305e-02 -2.566e-02 -8.685e-03 -3.588e-03 /

1721.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+5.4	+5.7	+5.4
log₁₀(k(10 bar)/[mole,m,s])	+3.1	+5.3	+5.9	+5.9

Chebyshev(coeffs=[[9.93921,-0.724417,-0.265367,0.00257765],[1.48729,1.2543,0.0046948,-0.04289],[0.162853,0.389851,0.0329981,0.0118603],[-0.147349,0.0776625,-0.0122506,0.00977711],[-0.13765,0.0238504,-0.00790263,-0.00487806],[-0.0921615,0.0176994,0.0110288,-0.00659025]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -51.51
S298 (cal/mol*K) = -11.74
G298 (kcal/mol) = -48.01

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(333); H(25), C7H10(333); C7H9(5)+H(25)(+M)=>C7H10(333)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.939e+00 -7.244e-01 -2.654e-01 2.578e-03 / CHEB/ 1.487e+00 1.254e+00 4.695e-03 -4.289e-02 / CHEB/ 1.629e-01 3.899e-01 3.300e-02 1.186e-02 / CHEB/ -1.473e-01 7.766e-02 -1.225e-02 9.777e-03 / CHEB/ -1.376e-01 2.385e-02 -7.903e-03 -4.878e-03 / CHEB/ -9.216e-02 1.770e-02 1.103e-02 -6.590e-03 /

1722.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	-1.0	-0.6	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-5.6	-1.3	-0.7	-0.9

Chebyshev(coeffs=[[1.59832,-1.14497,-0.171392,0.00855284],[4.08952,0.940285,-0.00751001,-0.0475264],[0.0545007,0.202632,0.0998423,-0.0132326],[-0.330904,-0.0519619,0.0436756,0.0213763],[-0.200226,-0.055583,-0.00732918,0.0148598],[-0.0707662,-0.0120615,-0.013305,4.29265e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.18
S298 (cal/mol*K) = -15.86
G298 (kcal/mol) = 4.91

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(334); H(25), C7H10(334); C7H9(5)+H(25)(+M)=>C7H10(334)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.598e+00 -1.145e+00 -1.714e-01 8.553e-03 / CHEB/ 4.090e+00 9.403e-01 -7.510e-03 -4.753e-02 / CHEB/ 5.450e-02 2.026e-01 9.984e-02 -1.323e-02 / CHEB/ -3.309e-01 -5.196e-02 4.368e-02 2.138e-02 / CHEB/ -2.002e-01 -5.558e-02 -7.329e-03 1.486e-02 / CHEB/ -7.077e-02 -1.206e-02 -1.331e-02 4.293e-05 /

1723.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.8	+4.5	+5.1	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+0.8	+3.9	+4.9	+5.0

Chebyshev(coeffs=[[8.40462,-1.39814,-0.0859685,0.00171734],[2.55817,0.898024,-0.0725766,-0.0177341],[0.388007,0.375768,0.0398771,-0.0190945],[-0.144668,0.0526762,0.0489062,0.00216323],[-0.129396,-0.0359901,0.0112354,0.0110313],[-0.0531289,-0.0255929,-0.00825425,0.00333359]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.13
S298 (cal/mol*K) = -12.46
G298 (kcal/mol) = -3.42

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(335); H(25), C7H10(335); C7H9(5)+H(25)(+M)=>C7H10(335)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.405e+00 -1.398e+00 -8.597e-02 1.717e-03 / CHEB/ 2.558e+00 8.980e-01 -7.258e-02 -1.773e-02 / CHEB/ 3.880e-01 3.758e-01 3.988e-02 -1.909e-02 / CHEB/ -1.447e-01 5.268e-02 4.891e-02 2.163e-03 / CHEB/ -1.294e-01 -3.599e-02 1.124e-02 1.103e-02 / CHEB/ -5.313e-02 -2.559e-02 -8.254e-03 3.334e-03 /

1725.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-1.8	+1.6	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-1.2	+2.5	+3.8

Chebyshev(coeffs=[[-12.0491,0.375584,-0.286935,0.0122089],[14.8771,1.27953,-0.00474803,-0.0973161],[0.390678,0.328479,0.161899,-0.00406311],[-0.140697,-0.0683701,0.0625617,0.0363276],[-0.187843,-0.0871992,-0.0126522,0.0195338],[-0.101601,-0.0250989,-0.0221498,-0.0025788]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.98
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = 27.73

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(209); C7H10(18)(+M)=>H(25)+C7H9(209)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.205e+01 3.756e-01 -2.869e-01 1.221e-02 / CHEB/ 1.488e+01 1.280e+00 -4.748e-03 -9.732e-02 / CHEB/ 3.907e-01 3.285e-01 1.619e-01 -4.063e-03 / CHEB/ -1.407e-01 -6.837e-02 6.256e-02 3.633e-02 / CHEB/ -1.878e-01 -8.720e-02 -1.265e-02 1.953e-02 / CHEB/ -1.016e-01 -2.510e-02 -2.215e-02 -2.579e-03 /

1726.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.4	-5.2	-0.9	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-18.5	-4.5	-0.0	+1.8

Chebyshev(coeffs=[[-17.4026,0.680712,-0.363126,-0.0128166],[18.1544,1.1468,0.159537,-0.0800512],[0.376353,0.202331,0.149586,0.0302362],[-0.0959023,-0.0850861,0.019726,0.0334216],[-0.147501,-0.0640513,-0.0256037,0.00638449],[-0.0830163,-0.0110557,-0.0155752,-0.00663546]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 51.38
S298 (cal/mol*K) = 7.81
G298 (kcal/mol) = 49.05

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(208); C7H10(18)(+M)=>H(25)+C7H9(208)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.740e+01 6.807e-01 -3.631e-01 -1.282e-02 / CHEB/ 1.815e+01 1.147e+00 1.595e-01 -8.005e-02 / CHEB/ 3.764e-01 2.023e-01 1.496e-01 3.024e-02 / CHEB/ -9.590e-02 -8.509e-02 1.973e-02 3.342e-02 / CHEB/ -1.475e-01 -6.405e-02 -2.560e-02 6.384e-03 / CHEB/ -8.302e-02 -1.106e-02 -1.558e-02 -6.635e-03 /

1727.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.4	-5.2	-0.9	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-18.5	-4.5	-0.0	+1.8

H298 (kcal/mol) = 51.38
S298 (cal/mol*K) = 7.81
G298 (kcal/mol) = 49.05

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), H(25); C7H10(18), C7H9(207); C7H10(18)(+M)=>H(25)+C7H9(207)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.740e+01 6.807e-01 -3.631e-01 -1.282e-02 / CHEB/ 1.815e+01 1.147e+00 1.595e-01 -8.005e-02 / CHEB/ 3.764e-01 2.023e-01 1.496e-01 3.024e-02 / CHEB/ -9.590e-02 -8.509e-02 1.973e-02 3.342e-02 / CHEB/ -1.475e-01 -6.405e-02 -2.560e-02 6.384e-03 / CHEB/ -8.302e-02 -1.106e-02 -1.558e-02 -6.635e-03 /

1728.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-5.7	-1.8	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-18.1	-5.0	-0.9	+0.7

Chebyshev(coeffs=[[-16.8935,0.536352,-0.328951,0.00164219],[16.5423,1.24153,0.0854442,-0.094126],[0.420324,0.244038,0.16514,0.0177879],[-0.110594,-0.0857832,0.0354481,0.0373893],[-0.152279,-0.074184,-0.0230497,0.0115989],[-0.0856599,-0.0147644,-0.0188504,-0.00584686]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.04
S298 (cal/mol*K) = -12.89
G298 (kcal/mol) = 22.88

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(324); C7H10(18)(+M)=>C7H10(324)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.689e+01 5.364e-01 -3.290e-01 1.642e-03 / CHEB/ 1.654e+01 1.242e+00 8.544e-02 -9.413e-02 / CHEB/ 4.203e-01 2.440e-01 1.651e-01 1.779e-02 / CHEB/ -1.106e-01 -8.578e-02 3.545e-02 3.739e-02 / CHEB/ -1.523e-01 -7.418e-02 -2.305e-02 1.160e-02 / CHEB/ -8.566e-02 -1.476e-02 -1.885e-02 -5.847e-03 /

1729.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.0	+0.9	+4.7	+6.3
log₁₀(k(10 bar)/[mole,m,s])	-11.2	+1.6	+5.6	+7.2

Chebyshev(coeffs=[[-9.89603,0.488641,-0.311786,0.00499974],[15.9408,1.27354,0.055223,-0.0955575],[0.507419,0.26037,0.170951,0.0123559],[-0.0792639,-0.0864974,0.0412074,0.0385744],[-0.167734,-0.0781708,-0.0222545,0.0133965],[-0.0677727,-0.0166401,-0.02005,-0.00543418]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.39
S298 (cal/mol*K) = -0.42
G298 (kcal/mol) = 19.52

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(332); C7H10(18)(+M)=>C7H10(332)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.896e+00 4.886e-01 -3.118e-01 5.000e-03 / CHEB/ 1.594e+01 1.274e+00 5.522e-02 -9.556e-02 / CHEB/ 5.074e-01 2.604e-01 1.710e-01 1.236e-02 / CHEB/ -7.926e-02 -8.650e-02 4.121e-02 3.857e-02 / CHEB/ -1.677e-01 -7.817e-02 -2.225e-02 1.340e-02 / CHEB/ -6.777e-02 -1.664e-02 -2.005e-02 -5.434e-03 /

1730.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	+1.9	+4.4	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-8.0	+2.3	+5.2	+6.1

Chebyshev(coeffs=[[-7.18124,0.233534,-0.27452,0.0217737],[12.8327,1.19974,-0.0638815,-0.0946412],[-0.107289,0.406545,0.126,-0.0250979],[-0.178791,-0.00844686,0.0803889,0.0244788],[-0.163029,-0.0825125,0.00890835,0.0240266],[-0.082189,-0.0415143,-0.0178141,0.00396766]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -33.13
S298 (cal/mol*K) = -11.17
G298 (kcal/mol) = -29.80

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(333); C7H10(18)(+M)=>C7H10(333)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.181e+00 2.335e-01 -2.745e-01 2.177e-02 / CHEB/ 1.283e+01 1.200e+00 -6.388e-02 -9.464e-02 / CHEB/ -1.073e-01 4.065e-01 1.260e-01 -2.510e-02 / CHEB/ -1.788e-01 -8.447e-03 8.039e-02 2.448e-02 / CHEB/ -1.630e-01 -8.251e-02 8.908e-03 2.403e-02 / CHEB/ -8.219e-02 -4.151e-02 -1.781e-02 3.968e-03 /

1731.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.5	-7.5	-3.5	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-20.5	-6.7	-2.6	-1.0

Chebyshev(coeffs=[[-19.7353,0.779435,-0.377991,-0.0255361],[18.0823,1.07042,0.198516,-0.0646383],[0.0727296,0.181771,0.137857,0.0350953],[-0.163843,-0.0822931,0.0109486,0.03008],[-0.168588,-0.0583547,-0.0258287,0.00350102],[-0.0896323,-0.00913334,-0.0136191,-0.00684271]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.56
S298 (cal/mol*K) = -15.29
G298 (kcal/mol) = 23.11

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(334); C7H10(18)(+M)=>C7H10(334)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.974e+01 7.794e-01 -3.780e-01 -2.554e-02 / CHEB/ 1.808e+01 1.070e+00 1.985e-01 -6.464e-02 / CHEB/ 7.273e-02 1.818e-01 1.379e-01 3.510e-02 / CHEB/ -1.638e-01 -8.229e-02 1.095e-02 3.008e-02 / CHEB/ -1.686e-01 -5.835e-02 -2.583e-02 3.501e-03 / CHEB/ -8.963e-02 -9.133e-03 -1.362e-02 -6.843e-03 /

1732.

→

PDepNetwork #3

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	+1.4	+3.9	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-8.4	+1.9	+4.7	+5.5

Chebyshev(coeffs=[[-7.57564,0.274672,-0.275668,0.0189055],[12.6744,1.23271,-0.0481888,-0.0960057],[-0.0980629,0.389766,0.138097,-0.0195074],[-0.191351,-0.0288263,0.077529,0.0288042],[-0.172826,-0.0879517,0.00233143,0.0236373],[-0.0882533,-0.0377655,-0.0201998,0.00203627]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.25
S298 (cal/mol*K) = -11.89
G298 (kcal/mol) = 14.79

! PDep reaction: PDepNetwork #3 ! Flux pairs: C7H10(18), C7H10(335); C7H10(18)(+M)=>C7H10(335)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.576e+00 2.747e-01 -2.757e-01 1.891e-02 / CHEB/ 1.267e+01 1.233e+00 -4.819e-02 -9.601e-02 / CHEB/ -9.806e-02 3.898e-01 1.381e-01 -1.951e-02 / CHEB/ -1.914e-01 -2.883e-02 7.753e-02 2.880e-02 / CHEB/ -1.728e-01 -8.795e-02 2.331e-03 2.364e-02 / CHEB/ -8.825e-02 -3.777e-02 -2.020e-02 2.036e-03 /

1733.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.6	+1.0	+2.0	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+1.2	+2.6	+3.1

Chebyshev(coeffs=[[3.70009,-0.110319,-0.255595,0.0146995],[4.30091,1.2514,-0.15111,-0.0803203],[0.306547,0.465286,0.109614,-0.027321],[-0.0965878,0.0236268,0.0737424,0.0149699],[-0.0389383,-0.069697,0.0110765,0.013851],[0.00744856,-0.0426268,-0.0124859,0.00118811]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -92.87
S298 (cal/mol*K) = -54.85
G298 (kcal/mol) = -76.53

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(65); C5H6(62), C7H10(65); C2H4(115)+C5H6(62)(+M)=>C7H10(65)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.700e+00 -1.103e-01 -2.556e-01 1.470e-02 / CHEB/ 4.301e+00 1.251e+00 -1.511e-01 -8.032e-02 / CHEB/ 3.065e-01 4.653e-01 1.096e-01 -2.732e-02 / CHEB/ -9.659e-02 2.363e-02 7.374e-02 1.497e-02 / CHEB/ -3.894e-02 -6.970e-02 1.108e-02 1.385e-02 / CHEB/ 7.449e-03 -4.263e-02 -1.249e-02 1.188e-03 /

1734.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-2.7	-0.3	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-3.2	-0.5	+0.5

Chebyshev(coeffs=[[-2.2934,-1.8816,-0.27952,0.00457626],[8.02898,1.46281,-0.0506982,-0.0888576],[1.03724,0.378954,0.171829,-0.00700977],[-0.0759561,-0.0825613,0.0614403,0.0281163],[-0.129783,-0.0996289,-0.0148362,0.0141092],[-0.0626381,-0.0294842,-0.0210853,-0.00128253]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.27
S298 (cal/mol*K) = -31.24
G298 (kcal/mol) = 2.04

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(209); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(209)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.293e+00 -1.882e+00 -2.795e-01 4.576e-03 / CHEB/ 8.029e+00 1.463e+00 -5.070e-02 -8.886e-02 / CHEB/ 1.037e+00 3.790e-01 1.718e-01 -7.010e-03 / CHEB/ -7.596e-02 -8.256e-02 6.144e-02 2.812e-02 / CHEB/ -1.298e-01 -9.963e-02 -1.484e-02 1.411e-02 / CHEB/ -6.264e-02 -2.948e-02 -2.109e-02 -1.283e-03 /

1735.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-5.6	-2.6	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-6.0	-2.7	-1.3

Chebyshev(coeffs=[[-6.58831,-1.70437,-0.336965,0.00129954],[10.3792,1.45378,0.0627201,-0.0935399],[1.06057,0.264361,0.175227,0.011535],[0.00398714,-0.112722,0.0334409,0.0320444],[-0.0827143,-0.0852427,-0.0273401,0.00958399],[-0.0494703,-0.0135131,-0.0185139,-0.00471293]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.13
S298 (cal/mol*K) = -24.25
G298 (kcal/mol) = 23.35

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(208); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(208)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.588e+00 -1.704e+00 -3.370e-01 1.300e-03 / CHEB/ 1.038e+01 1.454e+00 6.272e-02 -9.354e-02 / CHEB/ 1.061e+00 2.644e-01 1.752e-01 1.154e-02 / CHEB/ 3.987e-03 -1.127e-01 3.344e-02 3.204e-02 / CHEB/ -8.271e-02 -8.524e-02 -2.734e-02 9.584e-03 / CHEB/ -4.947e-02 -1.351e-02 -1.851e-02 -4.713e-03 /

1736.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-5.6	-2.6	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-6.0	-2.7	-1.3

H298 (kcal/mol) = 16.13
S298 (cal/mol*K) = -24.25
G298 (kcal/mol) = 23.35

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(207); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(207)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.588e+00 -1.704e+00 -3.370e-01 1.300e-03 / CHEB/ 1.038e+01 1.454e+00 6.272e-02 -9.354e-02 / CHEB/ 1.061e+00 2.644e-01 1.752e-01 1.154e-02 / CHEB/ 3.987e-03 -1.127e-01 3.344e-02 3.204e-02 / CHEB/ -8.271e-02 -8.524e-02 -2.734e-02 9.584e-03 / CHEB/ -4.947e-02 -1.351e-02 -1.851e-02 -4.713e-03 /

1737.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.7	-6.3	-3.6	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-6.7	-3.7	-2.4

Chebyshev(coeffs=[[-6.52748,-1.78838,-0.307811,0.00246966],[9.19691,1.47861,0.00752249,-0.0912783],[1.06099,0.310784,0.17932,0.00307015],[-0.0241904,-0.106158,0.0457023,0.0310415],[-0.089017,-0.0928095,-0.0235159,0.0120229],[-0.0484503,-0.0195086,-0.0202585,-0.00325761]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.21
S298 (cal/mol*K) = -44.95
G298 (kcal/mol) = -2.82

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(324); C5H6(62), C7H10(324); C2H4(115)+C5H6(62)(+M)=>C7H10(324)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.527e+00 -1.788e+00 -3.078e-01 2.470e-03 / CHEB/ 9.197e+00 1.479e+00 7.522e-03 -9.128e-02 / CHEB/ 1.061e+00 3.108e-01 1.793e-01 3.070e-03 / CHEB/ -2.419e-02 -1.062e-01 4.570e-02 3.104e-02 / CHEB/ -8.902e-02 -9.281e-02 -2.352e-02 1.202e-02 / CHEB/ -4.845e-02 -1.951e-02 -2.026e-02 -3.258e-03 /

1738.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	+0.3	+2.9	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-8.4	-0.2	+2.8	+4.1

Chebyshev(coeffs=[[0.296972,-1.81126,-0.297658,0.00283083],[8.7828,1.48402,-0.00917308,-0.09029],[1.12286,0.327161,0.180188,0.000673484],[0.00245867,-0.104391,0.0496373,0.0307342],[-0.103919,-0.0955742,-0.0225079,0.0126742],[-0.0311592,-0.021703,-0.0206699,-0.00282418]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.86
S298 (cal/mol*K) = -32.47
G298 (kcal/mol) = -6.18

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(332); C5H6(62), C7H10(332); C2H4(115)+C5H6(62)(+M)=>C7H10(332)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.970e-01 -1.811e+00 -2.977e-01 2.831e-03 / CHEB/ 8.783e+00 1.484e+00 -9.173e-03 -9.029e-02 / CHEB/ 1.123e+00 3.272e-01 1.802e-01 6.735e-04 / CHEB/ 2.459e-03 -1.044e-01 4.964e-02 3.073e-02 / CHEB/ -1.039e-01 -9.557e-02 -2.251e-02 1.267e-02 / CHEB/ -3.116e-02 -2.170e-02 -2.067e-02 -2.824e-03 /

1739.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	+0.5	+2.2	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-6.3	-0.1	+1.9	+2.6

Chebyshev(coeffs=[[2.01476,-1.98545,-0.262113,0.00841165],[6.16589,1.39048,-0.102144,-0.0862739],[0.689088,0.443722,0.147205,-0.018002],[-0.11788,-0.0332697,0.0737001,0.0225478],[-0.120341,-0.0955406,-0.00125115,0.0150323],[-0.0499442,-0.0416954,-0.0185391,0.000524374]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.38
S298 (cal/mol*K) = -43.22
G298 (kcal/mol) = -55.50

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(333); C5H6(62), C7H10(333); C2H4(115)+C5H6(62)(+M)=>C7H10(333)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.015e+00 -1.985e+00 -2.621e-01 8.412e-03 / CHEB/ 6.166e+00 1.390e+00 -1.021e-01 -8.627e-02 / CHEB/ 6.891e-01 4.437e-01 1.472e-01 -1.800e-02 / CHEB/ -1.179e-01 -3.327e-02 7.370e-02 2.255e-02 / CHEB/ -1.203e-01 -9.554e-02 -1.251e-03 1.503e-02 / CHEB/ -4.994e-02 -4.170e-02 -1.854e-02 5.244e-04 /

1740.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.6	-7.8	-5.1	-3.9
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-8.2	-5.2	-4.0

Chebyshev(coeffs=[[-8.65288,-1.63685,-0.359004,-6.54664e-05],[10.0506,1.41698,0.10436,-0.0944395],[0.780665,0.237864,0.168241,0.0178178],[-0.0537429,-0.114139,0.0254237,0.0319309],[-0.103944,-0.0795483,-0.0289574,0.00758677],[-0.0588073,-0.0101902,-0.0168953,-0.00554146]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.69
S298 (cal/mol*K) = -47.34
G298 (kcal/mol) = -2.59

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(334); C5H6(62), C7H10(334); C2H4(115)+C5H6(62)(+M)=>C7H10(334)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.653e+00 -1.637e+00 -3.590e-01 -6.547e-05 / CHEB/ 1.005e+01 1.417e+00 1.044e-01 -9.444e-02 / CHEB/ 7.807e-01 2.379e-01 1.682e-01 1.782e-02 / CHEB/ -5.374e-02 -1.141e-01 2.542e-02 3.193e-02 / CHEB/ -1.039e-01 -7.955e-02 -2.896e-02 7.587e-03 / CHEB/ -5.881e-02 -1.019e-02 -1.690e-02 -5.541e-03 /

1741.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	+0.2	+1.7	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-0.4	+1.5	+2.1

Chebyshev(coeffs=[[1.77538,-1.95398,-0.265886,0.00711519],[5.9891,1.41749,-0.0878432,-0.0871941],[0.650112,0.427756,0.15577,-0.0148628],[-0.136185,-0.0497764,0.0711188,0.0244331],[-0.126469,-0.0990449,-0.00543859,0.0149725],[-0.0533537,-0.0386847,-0.0197434,8.28404e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.00
S298 (cal/mol*K) = -43.94
G298 (kcal/mol) = -10.91

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(335); C5H6(62), C7H10(335); C2H4(115)+C5H6(62)(+M)=>C7H10(335)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.775e+00 -1.954e+00 -2.659e-01 7.115e-03 / CHEB/ 5.989e+00 1.417e+00 -8.784e-02 -8.719e-02 / CHEB/ 6.501e-01 4.278e-01 1.558e-01 -1.486e-02 / CHEB/ -1.362e-01 -4.978e-02 7.112e-02 2.443e-02 / CHEB/ -1.265e-01 -9.904e-02 -5.439e-03 1.497e-02 / CHEB/ -5.335e-02 -3.868e-02 -1.974e-02 8.284e-05 /

1761.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	+1.1	+3.2	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-4.9	+0.8	+3.0	+4.1

Chebyshev(coeffs=[[2.29139,-0.625314,-0.151076,0.015722],[7.33921,0.413115,0.0264204,-0.0437315],[0.451623,0.0643891,0.0431763,9.69998e-05],[0.0428714,0.0406234,0.0188256,0.00442111],[-0.025954,0.0302094,0.00916351,0.000195422],[-0.0260645,0.00462942,0.00484449,0.000965223]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.25
S298 (cal/mol*K) = 25.27
G298 (kcal/mol) = 5.72

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(336); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(336)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.291e+00 -6.253e-01 -1.511e-01 1.572e-02 / CHEB/ 7.339e+00 4.131e-01 2.642e-02 -4.373e-02 / CHEB/ 4.516e-01 6.439e-02 4.318e-02 9.700e-05 / CHEB/ 4.287e-02 4.062e-02 1.883e-02 4.421e-03 / CHEB/ -2.595e-02 3.021e-02 9.164e-03 1.954e-04 / CHEB/ -2.606e-02 4.629e-03 4.844e-03 9.652e-04 /

1762.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	+1.6	+3.4	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-3.5	+1.3	+3.2	+4.2

Chebyshev(coeffs=[[3.77511,-0.82991,-0.0922518,0.0321329],[5.8498,0.648075,-0.0689016,-0.0585286],[0.568671,0.0268036,0.074857,-0.00552627],[0.051716,0.032238,0.0223359,0.00729623],[-0.0283029,0.0363302,0.00525508,0.00132762],[-0.0293463,0.00688167,0.00490437,0.00029223]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.76
S298 (cal/mol*K) = 19.24
G298 (kcal/mol) = 1.02

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(121); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(121)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.775e+00 -8.299e-01 -9.225e-02 3.213e-02 / CHEB/ 5.850e+00 6.481e-01 -6.890e-02 -5.853e-02 / CHEB/ 5.687e-01 2.680e-02 7.486e-02 -5.526e-03 / CHEB/ 5.172e-02 3.224e-02 2.234e-02 7.296e-03 / CHEB/ -2.830e-02 3.633e-02 5.255e-03 1.328e-03 / CHEB/ -2.935e-02 6.882e-03 4.904e-03 2.922e-04 /

1763.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-1.5	+0.9	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-1.8	+0.7	+2.0

Chebyshev(coeffs=[[-1.51746,-0.4703,-0.161072,-0.00814254],[9.11126,0.261213,0.056762,-0.0162636],[0.378103,0.0742051,0.0304852,6.95494e-05],[0.0468436,0.0461401,0.0180055,0.00188887],[-0.0180039,0.0264793,0.0105496,0.000346963],[-0.0202819,0.0028929,0.00415607,0.00151557]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.17
S298 (cal/mol*K) = 0.95
G298 (kcal/mol) = -13.45

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(337); H(25), C7H11(337); C7H10(1)+H(25)(+M)=>C7H11(337)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.517e+00 -4.703e-01 -1.611e-01 -8.143e-03 / CHEB/ 9.111e+00 2.612e-01 5.676e-02 -1.626e-02 / CHEB/ 3.781e-01 7.421e-02 3.049e-02 6.955e-05 / CHEB/ 4.684e-02 4.614e-02 1.801e-02 1.889e-03 / CHEB/ -1.800e-02 2.648e-02 1.055e-02 3.470e-04 / CHEB/ -2.028e-02 2.893e-03 4.156e-03 1.516e-03 /

1764.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	+0.2	+2.1	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-0.5	+1.8	+2.9

Chebyshev(coeffs=[[1.31169,-1.51972,0.0256655,0.0966139],[7.19507,1.12303,-0.273732,-0.0924071],[0.407941,0.117846,0.063824,-0.0406954],[0.0360543,0.0499252,0.0458329,-0.00768422],[-0.0393051,0.039898,0.0247537,0.00230014],[-0.0427948,0.0151491,0.0144059,0.0043993]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.97
S298 (cal/mol*K) = 0.22
G298 (kcal/mol) = -21.03

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(338); H(25), C7H11(338); C7H10(1)+H(25)(+M)=>C7H11(338)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.312e+00 -1.520e+00 2.567e-02 9.661e-02 / CHEB/ 7.195e+00 1.123e+00 -2.737e-01 -9.241e-02 / CHEB/ 4.079e-01 1.178e-01 6.382e-02 -4.070e-02 / CHEB/ 3.605e-02 4.993e-02 4.583e-02 -7.684e-03 / CHEB/ -3.931e-02 3.990e-02 2.475e-02 2.300e-03 / CHEB/ -4.279e-02 1.515e-02 1.441e-02 4.399e-03 /

1765.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.0	-11.0	-4.9	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-29.1	-11.0	-5.0	-1.9

Chebyshev(coeffs=[[-21.6052,-0.0901296,-0.0475757,-0.0145329],[25.682,0.0206191,0.00864328,0.000799584],[-0.0355433,0.0343459,0.0147548,0.000861284],[0.0168745,0.017631,0.00893163,0.00223834],[0.0140787,0.00154753,0.00300753,0.00294531],[0.00724376,-0.0036118,-0.00044852,0.00127104]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.53
S298 (cal/mol*K) = 32.88
G298 (kcal/mol) = 71.73

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(339); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(339)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.161e+01 -9.013e-02 -4.758e-02 -1.453e-02 / CHEB/ 2.568e+01 2.062e-02 8.643e-03 7.996e-04 / CHEB/ -3.554e-02 3.435e-02 1.475e-02 8.613e-04 / CHEB/ 1.687e-02 1.763e-02 8.932e-03 2.238e-03 / CHEB/ 1.408e-02 1.548e-03 3.008e-03 2.945e-03 / CHEB/ 7.244e-03 -3.612e-03 -4.485e-04 1.271e-03 /

1766.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.4	-10.3	-4.2	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-28.5	-10.3	-4.2	-1.1

Chebyshev(coeffs=[[-20.9764,-0.0901296,-0.0475757,-0.0145329],[25.794,0.0206191,0.00864328,0.000799584],[-0.0108012,0.0343459,0.0147548,0.000861284],[0.0241589,0.017631,0.00893163,0.00223834],[0.0164905,0.00154753,0.00300753,0.00294531],[0.00809346,-0.0036118,-0.00044852,0.00127104]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.53
S298 (cal/mol*K) = 32.88
G298 (kcal/mol) = 71.73

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(340); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(340)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.098e+01 -9.013e-02 -4.758e-02 -1.453e-02 / CHEB/ 2.579e+01 2.062e-02 8.643e-03 7.996e-04 / CHEB/ -1.080e-02 3.435e-02 1.475e-02 8.613e-04 / CHEB/ 2.416e-02 1.763e-02 8.932e-03 2.238e-03 / CHEB/ 1.649e-02 1.548e-03 3.008e-03 2.945e-03 / CHEB/ 8.093e-03 -3.612e-03 -4.485e-04 1.271e-03 /

1767.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.8	-11.2	-4.9	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-29.9	-11.2	-4.9	-1.8

Chebyshev(coeffs=[[-22.3497,-0.0857382,-0.0458793,-0.0144682],[26.5503,0.0201571,0.0088577,0.0011265],[-0.0107784,0.0329202,0.0143923,0.00111435],[0.0254287,0.0161963,0.00827733,0.00214921],[0.017376,0.000878617,0.00253419,0.00273311],[0.00846282,-0.00358384,-0.000551694,0.0011465]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 84.23
S298 (cal/mol*K) = 32.15
G298 (kcal/mol) = 74.65

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(341); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(341)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.235e+01 -8.574e-02 -4.588e-02 -1.447e-02 / CHEB/ 2.655e+01 2.016e-02 8.858e-03 1.126e-03 / CHEB/ -1.078e-02 3.292e-02 1.439e-02 1.114e-03 / CHEB/ 2.543e-02 1.620e-02 8.277e-03 2.149e-03 / CHEB/ 1.738e-02 8.786e-04 2.534e-03 2.733e-03 / CHEB/ 8.463e-03 -3.584e-03 -5.517e-04 1.147e-03 /

1768.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.1	-8.3	-3.0	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-24.2	-8.3	-3.0	-0.3

Chebyshev(coeffs=[[-16.8317,-0.112056,-0.0556627,-0.01528],[22.4466,0.0224181,0.00698986,-0.000331861],[0.00649292,0.0400927,0.0161498,-0.000158448],[0.0218012,0.0253143,0.0123104,0.00251638],[0.0126068,0.0057491,0.00547543,0.00362316],[0.00609405,-0.00343429,0.000135814,0.00177792]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.83
S298 (cal/mol*K) = 30.77
G298 (kcal/mol) = 61.66

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(335); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(335)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.683e+01 -1.121e-01 -5.566e-02 -1.528e-02 / CHEB/ 2.245e+01 2.242e-02 6.990e-03 -3.319e-04 / CHEB/ 6.493e-03 4.009e-02 1.615e-02 -1.584e-04 / CHEB/ 2.180e-02 2.531e-02 1.231e-02 2.516e-03 / CHEB/ 1.261e-02 5.749e-03 5.475e-03 3.623e-03 / CHEB/ 6.094e-03 -3.434e-03 1.358e-04 1.778e-03 /

1769.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.3	-8.9	-3.4	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-25.4	-9.0	-3.4	-0.6

Chebyshev(coeffs=[[-18.0288,-0.105753,-0.0533674,-0.0149349],[23.3426,0.0218077,0.00745048,-0.000163501],[-0.00334959,0.0387051,0.0158066,6.93015e-05],[0.0228834,0.0231124,0.0113615,0.00247218],[0.0144597,0.00444206,0.00478278,0.00350601],[0.00666431,-0.00353776,-3.51258e-05,0.0016591]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 73.73
S298 (cal/mol*K) = 32.15
G298 (kcal/mol) = 64.15

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(342); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(342)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.803e+01 -1.058e-01 -5.337e-02 -1.493e-02 / CHEB/ 2.334e+01 2.181e-02 7.450e-03 -1.635e-04 / CHEB/ -3.350e-03 3.871e-02 1.581e-02 6.930e-05 / CHEB/ 2.288e-02 2.311e-02 1.136e-02 2.472e-03 / CHEB/ 1.446e-02 4.442e-03 4.783e-03 3.506e-03 / CHEB/ 6.664e-03 -3.538e-03 -3.513e-05 1.659e-03 /

1770.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.2	-8.7	-3.2	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-25.3	-8.8	-3.2	-0.4

Chebyshev(coeffs=[[-17.9137,-0.105753,-0.0533674,-0.0149349],[23.4494,0.0218077,0.00745048,-0.000163501],[0.0202489,0.0387051,0.0158066,6.93015e-05],[0.0298312,0.0231124,0.0113615,0.00247218],[0.0167601,0.00444206,0.00478278,0.00350601],[0.00747474,-0.00353776,-3.51258e-05,0.0016591]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 73.73
S298 (cal/mol*K) = 32.15
G298 (kcal/mol) = 64.15

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(343); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(343)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.791e+01 -1.058e-01 -5.337e-02 -1.493e-02 / CHEB/ 2.345e+01 2.181e-02 7.450e-03 -1.635e-04 / CHEB/ 2.025e-02 3.871e-02 1.581e-02 6.930e-05 / CHEB/ 2.983e-02 2.311e-02 1.136e-02 2.472e-03 / CHEB/ 1.676e-02 4.442e-03 4.783e-03 3.506e-03 / CHEB/ 7.475e-03 -3.538e-03 -3.513e-05 1.659e-03 /

1771.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+2.5	+3.9	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-1.6	+2.2	+3.7	+4.4

Chebyshev(coeffs=[[5.68086,-1.07966,0.00220582,0.029951],[4.23499,0.897673,-0.209506,-0.0437359],[0.480953,0.00828007,0.0983727,-0.0202237],[0.0476561,0.0175477,0.036342,0.00510988],[-0.0348631,0.0375639,0.00370483,0.00395239],[-0.0394052,0.0148189,0.00142648,0.000910823]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.06
S298 (cal/mol*K) = 10.55
G298 (kcal/mol) = -10.20

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(344); H(25), C7H11(344); C7H10(1)+H(25)(+M)=>C7H11(344)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.681e+00 -1.080e+00 2.206e-03 2.995e-02 / CHEB/ 4.235e+00 8.977e-01 -2.095e-01 -4.374e-02 / CHEB/ 4.810e-01 8.280e-03 9.837e-02 -2.022e-02 / CHEB/ 4.766e-02 1.755e-02 3.634e-02 5.110e-03 / CHEB/ -3.486e-02 3.756e-02 3.705e-03 3.952e-03 / CHEB/ -3.941e-02 1.482e-02 1.426e-03 9.108e-04 /

1772.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.0	-6.3	-1.8	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-20.1	-6.4	-1.9	+0.4

Chebyshev(coeffs=[[-12.9622,-0.137405,-0.0655997,-0.018204],[19.3835,0.0260999,0.00652326,0.000773522],[-0.0172443,0.0444725,0.0175074,-0.000467732],[0.00875367,0.0336131,0.0156393,0.00236248],[0.00483931,0.0109213,0.00776311,0.0035405],[0.00145582,-0.00284435,0.000737862,0.00204907]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.42
S298 (cal/mol*K) = 31.84
G298 (kcal/mol) = 49.93

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(322); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(322)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.296e+01 -1.374e-01 -6.560e-02 -1.820e-02 / CHEB/ 1.938e+01 2.610e-02 6.523e-03 7.735e-04 / CHEB/ -1.724e-02 4.447e-02 1.751e-02 -4.677e-04 / CHEB/ 8.754e-03 3.361e-02 1.564e-02 2.362e-03 / CHEB/ 4.839e-03 1.092e-02 7.763e-03 3.540e-03 / CHEB/ 1.456e-03 -2.844e-03 7.379e-04 2.049e-03 /

1773.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	-0.4	+1.8	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-0.6	+1.7	+2.9

Chebyshev(coeffs=[[0.312857,-0.551794,-0.159631,0.00497095],[8.11341,0.341233,0.0460565,-0.0316519],[0.434402,0.0703004,0.0363031,0.000472064],[0.0483655,0.0430974,0.0181606,0.00331634],[-0.0213934,0.0281371,0.00997227,0.000218651],[-0.022933,0.00374454,0.00454256,0.00123241]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.43
S298 (cal/mol*K) = -0.18
G298 (kcal/mol) = -19.38

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(345); H(25), C7H11(345); C7H10(1)+H(25)(+M)=>C7H11(345)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.129e-01 -5.518e-01 -1.596e-01 4.971e-03 / CHEB/ 8.113e+00 3.412e-01 4.606e-02 -3.165e-02 / CHEB/ 4.344e-01 7.030e-02 3.630e-02 4.721e-04 / CHEB/ 4.837e-02 4.310e-02 1.816e-02 3.316e-03 / CHEB/ -2.139e-02 2.814e-02 9.972e-03 2.187e-04 / CHEB/ -2.293e-02 3.745e-03 4.543e-03 1.232e-03 /

1774.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.7	-15.0	-7.9	-4.3
log₁₀(k(10 bar)/[mole,m,s])	-35.7	-15.0	-7.9	-4.3

Chebyshev(coeffs=[[-27.923,-0.0709183,-0.0397028,-0.0139987],[29.4045,0.0194822,0.00973281,0.00230273],[0.1161,0.0276398,0.0129629,0.00199742],[0.0638629,0.011329,0.00602942,0.00180841],[0.0312613,-0.00119817,0.000932882,0.00186983],[0.0141494,-0.00345639,-0.000926942,0.000649974]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 92.73
S298 (cal/mol*K) = 23.13
G298 (kcal/mol) = 85.84

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(346); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(346)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.792e+01 -7.092e-02 -3.970e-02 -1.400e-02 / CHEB/ 2.940e+01 1.948e-02 9.733e-03 2.303e-03 / CHEB/ 1.161e-01 2.764e-02 1.296e-02 1.997e-03 / CHEB/ 6.386e-02 1.133e-02 6.029e-03 1.808e-03 / CHEB/ 3.126e-02 -1.198e-03 9.329e-04 1.870e-03 / CHEB/ 1.415e-02 -3.456e-03 -9.269e-04 6.500e-04 /

1793.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-0.7	+1.6	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-0.9	+1.5	+2.7

Chebyshev(coeffs=[[-0.153684,-0.482253,-0.138508,0.00373795],[8.32714,0.313419,0.0464991,-0.0249005],[0.470535,0.0591513,0.0315005,0.000789266],[0.0559697,0.0405989,0.0180278,0.00425537],[-0.0205598,0.0272676,0.0107031,0.00115601],[-0.0233011,0.00360106,0.00452882,0.0013911]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.71
S298 (cal/mol*K) = 18.86
G298 (kcal/mol) = 11.09

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(347); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(347)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.537e-01 -4.823e-01 -1.385e-01 3.738e-03 / CHEB/ 8.327e+00 3.134e-01 4.650e-02 -2.490e-02 / CHEB/ 4.705e-01 5.915e-02 3.150e-02 7.893e-04 / CHEB/ 5.597e-02 4.060e-02 1.803e-02 4.255e-03 / CHEB/ -2.056e-02 2.727e-02 1.070e-02 1.156e-03 / CHEB/ -2.330e-02 3.601e-03 4.529e-03 1.391e-03 /

1794.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.2	-0.9	+1.5	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-1.1	+1.3	+2.6

Chebyshev(coeffs=[[-0.361628,-0.472193,-0.1391,0.00218692],[8.44377,0.302717,0.0482424,-0.0230284],[0.461001,0.060159,0.0306052,0.000683473],[0.0552173,0.0409937,0.0180146,0.00406831],[-0.0203821,0.027034,0.0107932,0.00116969],[-0.0231162,0.0035241,0.00448498,0.00142472]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.07
S298 (cal/mol*K) = 16.28
G298 (kcal/mol) = 13.21

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(21); H(25), H(25); C7H10(1)+H(25)(+M)=>C7H10(21)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.616e-01 -4.722e-01 -1.391e-01 2.187e-03 / CHEB/ 8.444e+00 3.027e-01 4.824e-02 -2.303e-02 / CHEB/ 4.610e-01 6.016e-02 3.061e-02 6.835e-04 / CHEB/ 5.522e-02 4.099e-02 1.801e-02 4.068e-03 / CHEB/ -2.038e-02 2.703e-02 1.079e-02 1.170e-03 / CHEB/ -2.312e-02 3.524e-03 4.485e-03 1.425e-03 /

1795.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.7	-2.5	+0.0	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-10.0	-2.7	-0.1	+1.2

Chebyshev(coeffs=[[-2.98021,-0.364921,-0.135356,-0.0146894],[9.91371,0.188989,0.0524422,-0.00245815],[0.300187,0.0662635,0.0239411,-0.000914892],[0.0286545,0.0461906,0.0183676,0.00193841],[-0.0278966,0.0254905,0.0114256,0.00135551],[-0.0242578,0.00280334,0.00403915,0.00176216]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.06
S298 (cal/mol*K) = -2.45
G298 (kcal/mol) = -14.33

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(348); H(25), C7H11(348); C7H10(1)+H(25)(+M)=>C7H11(348)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.980e+00 -3.649e-01 -1.354e-01 -1.469e-02 / CHEB/ 9.914e+00 1.890e-01 5.244e-02 -2.458e-03 / CHEB/ 3.002e-01 6.626e-02 2.394e-02 -9.149e-04 / CHEB/ 2.865e-02 4.619e-02 1.837e-02 1.938e-03 / CHEB/ -2.790e-02 2.549e-02 1.143e-02 1.356e-03 / CHEB/ -2.426e-02 2.803e-03 4.039e-03 1.762e-03 /

1796.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+0.2	+1.6	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-3.7	-0.1	+1.4	+2.1

Chebyshev(coeffs=[[3.62201,-1.07863,0.0381313,0.0235401],[3.95604,0.955186,-0.225179,-0.0303627],[0.513487,-0.0078597,0.0896417,-0.0214819],[0.0853273,0.0073906,0.044487,0.00461068],[-0.0244618,0.0363442,0.00465768,0.00601161],[-0.0387823,0.0159269,-0.000240282,0.00163916]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.16
S298 (cal/mol*K) = -4.56
G298 (kcal/mol) = -16.80

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(349); H(25), C7H11(349); C7H10(1)+H(25)(+M)=>C7H11(349)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.622e+00 -1.079e+00 3.813e-02 2.354e-02 / CHEB/ 3.956e+00 9.552e-01 -2.252e-01 -3.036e-02 / CHEB/ 5.135e-01 -7.860e-03 8.964e-02 -2.148e-02 / CHEB/ 8.533e-02 7.391e-03 4.449e-02 4.611e-03 / CHEB/ -2.446e-02 3.634e-02 4.658e-03 6.012e-03 / CHEB/ -3.878e-02 1.593e-02 -2.403e-04 1.639e-03 /

1797.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.7	-12.2	-6.1	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-30.8	-12.2	-6.1	-3.0

Chebyshev(coeffs=[[-23.2816,-0.0735888,-0.0376855,-0.0101532],[26.3326,0.0233445,0.0107989,0.00195172],[-0.0754172,0.0338947,0.0149617,0.00133382],[0.00192177,0.0166165,0.0086441,0.00241894],[0.00604456,0.000847068,0.00264739,0.00291601],[0.0022346,-0.00372465,-0.000564876,0.00121372]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.94
S298 (cal/mol*K) = 29.48
G298 (kcal/mol) = 75.15

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(48); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.328e+01 -7.359e-02 -3.769e-02 -1.015e-02 / CHEB/ 2.633e+01 2.334e-02 1.080e-02 1.952e-03 / CHEB/ -7.542e-02 3.389e-02 1.496e-02 1.334e-03 / CHEB/ 1.922e-03 1.662e-02 8.644e-03 2.419e-03 / CHEB/ 6.045e-03 8.471e-04 2.647e-03 2.916e-03 / CHEB/ 2.235e-03 -3.725e-03 -5.649e-04 1.214e-03 /

1798.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.1	-11.5	-5.3	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-30.2	-11.6	-5.3	-2.2

Chebyshev(coeffs=[[-22.6528,-0.0735888,-0.0376855,-0.0101532],[26.4447,0.0233445,0.0107989,0.00195172],[-0.0506751,0.0338947,0.0149617,0.00133382],[0.00920627,0.0166165,0.0086441,0.00241894],[0.00845646,0.000847068,0.00264739,0.00291601],[0.00308431,-0.00372465,-0.000564876,0.00121372]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.94
S298 (cal/mol*K) = 29.48
G298 (kcal/mol) = 75.15

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(49); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(49)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.265e+01 -7.359e-02 -3.769e-02 -1.015e-02 / CHEB/ 2.644e+01 2.334e-02 1.080e-02 1.952e-03 / CHEB/ -5.068e-02 3.389e-02 1.496e-02 1.334e-03 / CHEB/ 9.206e-03 1.662e-02 8.644e-03 2.419e-03 / CHEB/ 8.456e-03 8.471e-04 2.647e-03 2.916e-03 / CHEB/ 3.084e-03 -3.725e-03 -5.649e-04 1.214e-03 /

1799.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.3	-10.8	-5.0	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-28.4	-10.9	-5.0	-2.1

Chebyshev(coeffs=[[-20.9653,-0.081922,-0.040688,-0.0100983],[24.9223,0.0243576,0.010296,0.00123855],[-0.0388967,0.0364253,0.0154774,0.000733185],[0.00878521,0.0194077,0.0099181,0.00259399],[0.00658439,0.00231242,0.00368009,0.00337809],[0.00232022,-0.0036355,-0.000265281,0.00150285]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.24
S298 (cal/mol*K) = 28.75
G298 (kcal/mol) = 70.67

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(50); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.097e+01 -8.192e-02 -4.069e-02 -1.010e-02 / CHEB/ 2.492e+01 2.436e-02 1.030e-02 1.239e-03 / CHEB/ -3.890e-02 3.643e-02 1.548e-02 7.332e-04 / CHEB/ 8.785e-03 1.941e-02 9.918e-03 2.594e-03 / CHEB/ 6.584e-03 2.312e-03 3.680e-03 3.378e-03 / CHEB/ 2.320e-03 -3.636e-03 -2.653e-04 1.503e-03 /

1800.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.3	-10.8	-5.0	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-28.4	-10.9	-5.0	-2.1

H298 (kcal/mol) = 79.24
S298 (cal/mol*K) = 28.75
G298 (kcal/mol) = 70.67

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(51); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(51)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.097e+01 -8.192e-02 -4.069e-02 -1.010e-02 / CHEB/ 2.492e+01 2.436e-02 1.030e-02 1.239e-03 / CHEB/ -3.890e-02 3.643e-02 1.548e-02 7.332e-04 / CHEB/ 8.785e-03 1.941e-02 9.918e-03 2.594e-03 / CHEB/ 6.584e-03 2.312e-03 3.680e-03 3.378e-03 / CHEB/ 2.320e-03 -3.636e-03 -2.653e-04 1.503e-03 /

1801.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.0	-11.1	-5.2	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-29.1	-11.2	-5.2	-2.2

Chebyshev(coeffs=[[-21.6307,-0.0791608,-0.0397159,-0.0101153],[25.4211,0.0240189,0.0104852,0.00147232],[-0.0447285,0.0356454,0.0153292,0.00092884],[0.00921578,0.0184803,0.00949529,0.00253822],[0.0076091,0.00179748,0.0033324,0.00323575],[0.00255517,-0.00367802,-0.000367188,0.00141156]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.84
S298 (cal/mol*K) = 28.75
G298 (kcal/mol) = 72.27

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(52); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.163e+01 -7.916e-02 -3.972e-02 -1.012e-02 / CHEB/ 2.542e+01 2.402e-02 1.049e-02 1.472e-03 / CHEB/ -4.473e-02 3.565e-02 1.533e-02 9.288e-04 / CHEB/ 9.216e-03 1.848e-02 9.495e-03 2.538e-03 / CHEB/ 7.609e-03 1.797e-03 3.332e-03 3.236e-03 / CHEB/ 2.555e-03 -3.678e-03 -3.672e-04 1.412e-03 /

1802.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.7	-10.9	-4.9	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-28.8	-10.9	-4.9	-1.9

Chebyshev(coeffs=[[-21.3097,-0.0800008,-0.0400149,-0.0101102],[25.3752,0.0241046,0.0104235,0.00140006],[-0.0206654,0.0358938,0.0153777,0.000868191],[0.016092,0.0187718,0.00962724,0.00255514],[0.0097725,0.0019533,0.00343934,0.00328102],[0.0032669,-0.00366733,-0.000336032,0.0014406]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.34
S298 (cal/mol*K) = 27.37
G298 (kcal/mol) = 72.18

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(350); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(350)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.131e+01 -8.000e-02 -4.001e-02 -1.011e-02 / CHEB/ 2.538e+01 2.410e-02 1.042e-02 1.400e-03 / CHEB/ -2.067e-02 3.589e-02 1.538e-02 8.682e-04 / CHEB/ 1.609e-02 1.877e-02 9.627e-03 2.555e-03 / CHEB/ 9.773e-03 1.953e-03 3.439e-03 3.281e-03 / CHEB/ 3.267e-03 -3.667e-03 -3.360e-04 1.441e-03 /

1803.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+1.2	+1.6	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-2.2	+1.0	+2.0	+2.4

Chebyshev(coeffs=[[4.68256,-1.20497,-0.347559,0.0683135],[3.02473,2.09527,-0.0317091,-0.115508],[-0.123633,0.469228,0.0635736,-0.0216841],[-0.107439,0.100926,0.0386477,0.0142486],[-0.0118538,0.0225247,0.018267,0.00303682],[-0.0157375,0.0108636,0.011433,-0.00490809]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.43
S298 (cal/mol*K) = -0.18
G298 (kcal/mol) = -19.38

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(351); H(25), C7H11(351); C7H10(1)+H(25)(+M)=>C7H11(351)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.683e+00 -1.205e+00 -3.476e-01 6.831e-02 / CHEB/ 3.025e+00 2.095e+00 -3.171e-02 -1.155e-01 / CHEB/ -1.236e-01 4.692e-01 6.357e-02 -2.168e-02 / CHEB/ -1.074e-01 1.009e-01 3.865e-02 1.425e-02 / CHEB/ -1.185e-02 2.252e-02 1.827e-02 3.037e-03 / CHEB/ -1.574e-02 1.086e-02 1.143e-02 -4.908e-03 /

1804.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.7	-15.9	-8.8	-5.2
log₁₀(k(10 bar)/[mole,m,s])	-36.8	-15.9	-8.8	-5.2

Chebyshev(coeffs=[[-29.0072,-0.0584221,-0.0315773,-0.00994384],[29.6134,0.0219022,0.0114053,0.00317768],[0.0726152,0.0283101,0.0135367,0.00238484],[0.0476563,0.0116176,0.00632144,0.00204554],[0.0232261,-0.00138989,0.00084993,0.00188448],[0.00949993,-0.00377654,-0.00111362,0.000588017]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 93.64
S298 (cal/mol*K) = 19.73
G298 (kcal/mol) = 87.76

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(352); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(352)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.901e+01 -5.842e-02 -3.158e-02 -9.944e-03 / CHEB/ 2.961e+01 2.190e-02 1.141e-02 3.178e-03 / CHEB/ 7.262e-02 2.831e-02 1.354e-02 2.385e-03 / CHEB/ 4.766e-02 1.162e-02 6.321e-03 2.046e-03 / CHEB/ 2.323e-02 -1.390e-03 8.499e-04 1.884e-03 / CHEB/ 9.500e-03 -3.777e-03 -1.114e-03 5.880e-04 /

1807.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.7	+1.0	+2.5	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-1.9	+0.9	+2.5	+3.4

Chebyshev(coeffs=[[5.13745,-0.231416,-0.140072,-0.0597294],[3.18355,0.139148,0.0804599,0.0307478],[0.913249,0.0540281,0.0314521,0.0120741],[0.193499,0.0195139,0.0121637,0.00553386],[0.0137191,-0.0117256,-0.00512527,-0.000291355],[-0.0120118,-0.0101781,-0.00540683,-0.00157161]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.62
S298 (cal/mol*K) = -22.36
G298 (kcal/mol) = -5.95

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(276); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(276)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.137e+00 -2.314e-01 -1.401e-01 -5.973e-02 / CHEB/ 3.184e+00 1.391e-01 8.046e-02 3.075e-02 / CHEB/ 9.132e-01 5.403e-02 3.145e-02 1.207e-02 / CHEB/ 1.935e-01 1.951e-02 1.216e-02 5.534e-03 / CHEB/ 1.372e-02 -1.173e-02 -5.125e-03 -2.914e-04 / CHEB/ -1.201e-02 -1.018e-02 -5.407e-03 -1.572e-03 /

1808.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.2	+2.9	+3.4	+3.8
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+2.7	+3.3	+3.8

Chebyshev(coeffs=[[8.10164,-0.656594,-0.345802,-0.107738],[1.17626,0.500559,0.22846,0.0415496],[0.330141,0.0649321,0.0579639,0.0349741],[0.121569,0.0292719,0.0175578,0.00909947],[0.0431985,0.00893966,0.00411076,0.000886243],[0.00882587,-0.00431349,-0.00132635,0.000251292]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.89
S298 (cal/mol*K) = -45.38
G298 (kcal/mol) = -36.37

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(277); C2H4(72), C7H11(277); C5H7(210)+C2H4(72)(+M)=>C7H11(277)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.102e+00 -6.566e-01 -3.458e-01 -1.077e-01 / CHEB/ 1.176e+00 5.006e-01 2.285e-01 4.155e-02 / CHEB/ 3.301e-01 6.493e-02 5.796e-02 3.497e-02 / CHEB/ 1.216e-01 2.927e-02 1.756e-02 9.099e-03 / CHEB/ 4.320e-02 8.940e-03 4.111e-03 8.862e-04 / CHEB/ 8.826e-03 -4.313e-03 -1.326e-03 2.513e-04 /

1809.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+2.9	+3.4	+3.8
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+2.7	+3.3	+3.7

Chebyshev(coeffs=[[8.0213,-0.666458,-0.353776,-0.112914],[1.25564,0.487794,0.220452,0.0376565],[0.321368,0.0528148,0.0505452,0.0317476],[0.092971,0.0267932,0.0161802,0.00864285],[0.0206754,0.0123973,0.00645155,0.00211314],[-0.00380942,0.000556646,0.00182822,0.00180372]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.89
S298 (cal/mol*K) = -45.38
G298 (kcal/mol) = -36.37

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(278); C2H4(72), C7H11(278); C5H7(210)+C2H4(72)(+M)=>C7H11(278)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.021e+00 -6.665e-01 -3.538e-01 -1.129e-01 / CHEB/ 1.256e+00 4.878e-01 2.205e-01 3.766e-02 / CHEB/ 3.214e-01 5.281e-02 5.055e-02 3.175e-02 / CHEB/ 9.297e-02 2.679e-02 1.618e-02 8.643e-03 / CHEB/ 2.068e-02 1.240e-02 6.452e-03 2.113e-03 / CHEB/ -3.809e-03 5.566e-04 1.828e-03 1.804e-03 /

1810.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.0	+3.5	+4.0	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+3.3	+3.9	+4.4

Chebyshev(coeffs=[[9.08347,-0.275303,-0.163837,-0.0674202],[0.725923,0.128376,0.0721837,0.0257583],[0.320873,0.0655737,0.0354309,0.0109503],[0.137321,0.0274121,0.0158332,0.00605053],[0.0514083,-0.00927957,-0.00300335,0.00116174],[0.0218198,-0.00899803,-0.00407889,-0.000472129]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -75.49
S298 (cal/mol*K) = -52.26
G298 (kcal/mol) = -59.92

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(279); C2H4(72), C7H11(279); C5H7(210)+C2H4(72)(+M)=>C7H11(279)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.083e+00 -2.753e-01 -1.638e-01 -6.742e-02 / CHEB/ 7.259e-01 1.284e-01 7.218e-02 2.576e-02 / CHEB/ 3.209e-01 6.557e-02 3.543e-02 1.095e-02 / CHEB/ 1.373e-01 2.741e-02 1.583e-02 6.051e-03 / CHEB/ 5.141e-02 -9.280e-03 -3.003e-03 1.162e-03 / CHEB/ 2.182e-02 -8.998e-03 -4.079e-03 -4.721e-04 /

1811.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+3.3	+3.7	+3.9
log₁₀(k(10 bar)/[mole,m,s])	+2.6	+3.2	+3.7	+3.9

Chebyshev(coeffs=[[8.85074,-0.268464,-0.159984,-0.0659672],[0.724926,0.135777,0.077172,0.0282528],[0.256542,0.0684405,0.0375568,0.0122643],[0.0732979,0.0273233,0.0160492,0.0064077],[0.00299118,-0.0110012,-0.00388865,0.000936675],[-0.0100973,-0.0112542,-0.00537521,-0.00094755]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.99
S298 (cal/mol*K) = -42.68
G298 (kcal/mol) = -49.27

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(280); C2H4(72), C7H11(280); C5H7(210)+C2H4(72)(+M)=>C7H11(280)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.851e+00 -2.685e-01 -1.600e-01 -6.597e-02 / CHEB/ 7.249e-01 1.358e-01 7.717e-02 2.825e-02 / CHEB/ 2.565e-01 6.844e-02 3.756e-02 1.226e-02 / CHEB/ 7.330e-02 2.732e-02 1.605e-02 6.408e-03 / CHEB/ 2.991e-03 -1.100e-02 -3.889e-03 9.367e-04 / CHEB/ -1.010e-02 -1.125e-02 -5.375e-03 -9.475e-04 /

1812.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.3	+3.5	+3.5	+3.2
log₁₀(k(10 bar)/[mole,m,s])	+3.8	+4.3	+4.3	+4.1

Chebyshev(coeffs=[[9.03281,1.28377,-0.377623,-0.118216],[0.145806,0.461478,0.202725,0.0295234],[0.114404,0.0645906,0.0544788,0.0302763],[-0.0165426,0.0413249,0.0232067,0.00996836],[-0.0921864,0.0208159,0.0106434,0.00320622],[-0.073033,0.00424956,0.00376991,0.00236734]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.99
S298 (cal/mol*K) = -42.68
G298 (kcal/mol) = -49.27

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(281); C2H4(72), C7H11(281); C5H7(210)+C2H4(72)(+M)=>C7H11(281)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.033e+00 1.284e+00 -3.776e-01 -1.182e-01 / CHEB/ 1.458e-01 4.615e-01 2.027e-01 2.952e-02 / CHEB/ 1.144e-01 6.459e-02 5.448e-02 3.028e-02 / CHEB/ -1.654e-02 4.132e-02 2.321e-02 9.968e-03 / CHEB/ -9.219e-02 2.082e-02 1.064e-02 3.206e-03 / CHEB/ -7.303e-02 4.250e-03 3.770e-03 2.367e-03 /

1813.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-0.7	+2.0	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-0.8	+2.0	+3.5

Chebyshev(coeffs=[[0.104194,-0.154342,-0.0979256,-0.0459827],[8.39974,0.076523,0.0470683,0.020701],[0.79638,0.0456164,0.0278965,0.012069],[0.200283,0.0172841,0.0108884,0.00504522],[0.0127763,-0.00904893,-0.00467178,-0.00117927],[-0.0153157,-0.00830225,-0.00471545,-0.00169038]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.82
S298 (cal/mol*K) = -1.13
G298 (kcal/mol) = 21.16

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H7(282); C2H4(72), C3H4(73); C5H7(210)+C2H4(72)(+M)=>C3H4(73)+C4H7(282)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.042e-01 -1.543e-01 -9.793e-02 -4.598e-02 / CHEB/ 8.400e+00 7.652e-02 4.707e-02 2.070e-02 / CHEB/ 7.964e-01 4.562e-02 2.790e-02 1.207e-02 / CHEB/ 2.003e-01 1.728e-02 1.089e-02 5.045e-03 / CHEB/ 1.278e-02 -9.049e-03 -4.672e-03 -1.179e-03 / CHEB/ -1.532e-02 -8.302e-03 -4.715e-03 -1.690e-03 /

1814.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	-3.2	-0.8	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-8.5	-3.3	-0.9	+0.5

Chebyshev(coeffs=[[-1.31135,-0.176826,-0.11061,-0.0504927],[6.68394,0.0948208,0.057202,0.0241182],[0.903468,0.0480819,0.0289804,0.0121227],[0.201812,0.0176877,0.0111113,0.00512508],[0.0109149,-0.00987872,-0.00487647,-0.000984133],[-0.014517,-0.00880729,-0.00490921,-0.00166747]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.71
S298 (cal/mol*K) = -25.22
G298 (kcal/mol) = 20.22

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(283); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(283)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.311e+00 -1.768e-01 -1.106e-01 -5.049e-02 / CHEB/ 6.684e+00 9.482e-02 5.720e-02 2.412e-02 / CHEB/ 9.035e-01 4.808e-02 2.898e-02 1.212e-02 / CHEB/ 2.018e-01 1.769e-02 1.111e-02 5.125e-03 / CHEB/ 1.091e-02 -9.879e-03 -4.876e-03 -9.841e-04 / CHEB/ -1.452e-02 -8.807e-03 -4.909e-03 -1.667e-03 /

1815.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-4.2	-1.2	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-4.3	-1.2	+0.4

Chebyshev(coeffs=[[-4.407,-0.138535,-0.0887904,-0.0425233],[9.90555,0.0646103,0.0402913,0.0182403],[0.715923,0.0429794,0.026595,0.0118113],[0.195051,0.0169155,0.0106959,0.00498957],[0.0148281,-0.00829412,-0.00441656,-0.00126504],[-0.0152275,-0.00788584,-0.00454854,-0.00170061]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.21
S298 (cal/mol*K) = -15.64
G298 (kcal/mol) = 30.87

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(76); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(76)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.407e+00 -1.385e-01 -8.879e-02 -4.252e-02 / CHEB/ 9.906e+00 6.461e-02 4.029e-02 1.824e-02 / CHEB/ 7.159e-01 4.298e-02 2.659e-02 1.181e-02 / CHEB/ 1.951e-01 1.692e-02 1.070e-02 4.990e-03 / CHEB/ 1.483e-02 -8.294e-03 -4.417e-03 -1.265e-03 / CHEB/ -1.523e-02 -7.886e-03 -4.549e-03 -1.701e-03 /

1816.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-3.4	-0.4	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-3.5	-0.4	+1.3

Chebyshev(coeffs=[[-3.80433,-0.246242,-0.150468,-0.0653831],[10.1414,0.135795,0.0746623,0.0245179],[0.745657,0.0512335,0.0355678,0.0192957],[0.194342,0.0233466,0.013944,0.00588019],[0.0135972,-0.000704641,0.000218314,0.00068998],[-0.0167818,-0.00585249,-0.00265752,-0.000268667]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.21
S298 (cal/mol*K) = -15.64
G298 (kcal/mol) = 30.87

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(167); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(167)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.804e+00 -2.462e-01 -1.505e-01 -6.538e-02 / CHEB/ 1.014e+01 1.358e-01 7.466e-02 2.452e-02 / CHEB/ 7.457e-01 5.123e-02 3.557e-02 1.930e-02 / CHEB/ 1.943e-01 2.335e-02 1.394e-02 5.880e-03 / CHEB/ 1.360e-02 -7.046e-04 2.183e-04 6.900e-04 / CHEB/ -1.678e-02 -5.852e-03 -2.658e-03 -2.687e-04 /

1817.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.0	-6.4	-2.6	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-6.4	-2.6	-0.6

Chebyshev(coeffs=[[-8.78016,-0.112344,-0.073238,-0.0362281],[13.3374,0.0468061,0.0298751,0.0141767],[0.626037,0.0371833,0.0235028,0.0109214],[0.191913,0.0158211,0.0101129,0.00481581],[0.0221425,-0.00678694,-0.00380142,-0.00129492],[-0.0125071,-0.00699963,-0.0041604,-0.00167987]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.31
S298 (cal/mol*K) = -18.34
G298 (kcal/mol) = 43.77

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(284); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(284)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.780e+00 -1.123e-01 -7.324e-02 -3.623e-02 / CHEB/ 1.334e+01 4.681e-02 2.988e-02 1.418e-02 / CHEB/ 6.260e-01 3.718e-02 2.350e-02 1.092e-02 / CHEB/ 1.919e-01 1.582e-02 1.011e-02 4.816e-03 / CHEB/ 2.214e-02 -6.787e-03 -3.801e-03 -1.295e-03 / CHEB/ -1.251e-02 -7.000e-03 -4.160e-03 -1.680e-03 /

1818.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.5	-6.8	-3.0	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-16.6	-6.8	-3.0	-0.9

Chebyshev(coeffs=[[-9.20709,-0.112556,-0.073366,-0.036282],[13.3971,0.0469413,0.0299556,0.0142095],[0.647065,0.0372351,0.0235314,0.0109307],[0.197925,0.0158333,0.0101196,0.00481793],[0.0240698,-0.00679995,-0.00380716,-0.00129525],[-0.0118359,-0.00700791,-0.00416423,-0.00168034]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.31
S298 (cal/mol*K) = -18.34
G298 (kcal/mol) = 43.77

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(285); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(285)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.207e+00 -1.126e-01 -7.337e-02 -3.628e-02 / CHEB/ 1.340e+01 4.694e-02 2.996e-02 1.421e-02 / CHEB/ 6.471e-01 3.724e-02 2.353e-02 1.093e-02 / CHEB/ 1.979e-01 1.583e-02 1.012e-02 4.818e-03 / CHEB/ 2.407e-02 -6.800e-03 -3.807e-03 -1.295e-03 / CHEB/ -1.184e-02 -7.008e-03 -4.164e-03 -1.680e-03 /

1819.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.9	-0.9	+0.4	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-3.1	-0.9	+0.4	+1.1

Chebyshev(coeffs=[[3.76377,-0.242244,-0.145861,-0.0615],[2.41336,0.141881,0.0816154,0.0307899],[0.761748,0.0586817,0.0336017,0.0123724],[0.174354,0.0209059,0.0129012,0.0057484],[0.0110144,-0.0120995,-0.00507345,-1.97472e-05],[-0.012806,-0.0106684,-0.00553455,-0.00147192]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.52
S298 (cal/mol*K) = -48.45
G298 (kcal/mol) = -30.09

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(286); C2H4(72), C7H11(286); C5H7(210)+C2H4(72)(+M)=>C7H11(286)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.764e+00 -2.422e-01 -1.459e-01 -6.150e-02 / CHEB/ 2.413e+00 1.419e-01 8.162e-02 3.079e-02 / CHEB/ 7.617e-01 5.868e-02 3.360e-02 1.237e-02 / CHEB/ 1.744e-01 2.091e-02 1.290e-02 5.748e-03 / CHEB/ 1.101e-02 -1.210e-02 -5.073e-03 -1.975e-05 / CHEB/ -1.281e-02 -1.067e-02 -5.535e-03 -1.472e-03 /

1820.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.3	-9.1	-4.0	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-23.4	-9.1	-4.1	-1.4

Chebyshev(coeffs=[[-15.9224,-0.0741784,-0.0495694,-0.0256585],[20.0094,0.0251843,0.0166521,0.00845278],[0.341154,0.0264122,0.0172406,0.00854141],[0.123363,0.0126749,0.00830856,0.0041507],[0.011862,-0.00433192,-0.00261156,-0.00108817],[-0.0135412,-0.00519097,-0.00324766,-0.00147533]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 53.74
S298 (cal/mol*K) = -7.75
G298 (kcal/mol) = 56.05

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(287); C2H4(72), CH2(T)(82); C5H7(210)+C2H4(72)(+M)=>C6H9(287)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.592e+01 -7.418e-02 -4.957e-02 -2.566e-02 / CHEB/ 2.001e+01 2.518e-02 1.665e-02 8.453e-03 / CHEB/ 3.412e-01 2.641e-02 1.724e-02 8.541e-03 / CHEB/ 1.234e-01 1.267e-02 8.309e-03 4.151e-03 / CHEB/ 1.186e-02 -4.332e-03 -2.612e-03 -1.088e-03 / CHEB/ -1.354e-02 -5.191e-03 -3.248e-03 -1.475e-03 /

1821.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.0	-5.8	-2.1	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-5.9	-2.1	-0.0

Chebyshev(coeffs=[[-7.60071,-0.119717,-0.0776199,-0.0380038],[12.4673,0.0550196,0.0348364,0.0162691],[0.853829,0.0382972,0.0241281,0.0111352],[0.239969,0.0154874,0.00990887,0.0047296],[0.0329632,-0.00745794,-0.0041375,-0.00136823],[-0.00907982,-0.00719482,-0.00426014,-0.00170449]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.91
S298 (cal/mol*K) = -17.59
G298 (kcal/mol) = 39.15

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(288); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(288)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.601e+00 -1.197e-01 -7.762e-02 -3.800e-02 / CHEB/ 1.247e+01 5.502e-02 3.484e-02 1.627e-02 / CHEB/ 8.538e-01 3.830e-02 2.413e-02 1.114e-02 / CHEB/ 2.400e-01 1.549e-02 9.909e-03 4.730e-03 / CHEB/ 3.296e-02 -7.458e-03 -4.138e-03 -1.368e-03 / CHEB/ -9.080e-03 -7.195e-03 -4.260e-03 -1.704e-03 /

1822.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.2	+2.1	+2.7	+3.0
log₁₀(k(10 bar)/[mole,m,s])	+1.0	+2.0	+2.6	+3.0

Chebyshev(coeffs=[[7.41775,-0.25432,-0.152359,-0.0635364],[1.06928,0.14121,0.0808195,0.0300973],[0.407507,0.0641653,0.0360224,0.0125808],[0.0916887,0.0236883,0.0143192,0.00610564],[-0.00812823,-0.0120462,-0.00472788,0.000404375],[-0.0184552,-0.0112637,-0.00563366,-0.00127825]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.99
S298 (cal/mol*K) = -26.11
G298 (kcal/mol) = -21.21

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(289); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(289)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.418e+00 -2.543e-01 -1.524e-01 -6.354e-02 / CHEB/ 1.069e+00 1.412e-01 8.082e-02 3.010e-02 / CHEB/ 4.075e-01 6.417e-02 3.602e-02 1.258e-02 / CHEB/ 9.169e-02 2.369e-02 1.432e-02 6.106e-03 / CHEB/ -8.128e-03 -1.205e-02 -4.728e-03 4.044e-04 / CHEB/ -1.846e-02 -1.126e-02 -5.634e-03 -1.278e-03 /

1823.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.4	+2.6	+3.3	+3.7
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+2.5	+3.2	+3.7

Chebyshev(coeffs=[[7.73067,-0.266791,-0.157807,-0.0642081],[1.3799,0.140655,0.0793429,0.0286477],[0.459387,0.0686638,0.037456,0.012106],[0.11388,0.027114,0.0158048,0.0062245],[0.00231194,-0.0109672,-0.00387371,0.000883475],[-0.0144403,-0.0114002,-0.00534434,-0.000863045]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.70
S298 (cal/mol*K) = -42.50
G298 (kcal/mol) = -47.04

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(290); C2H4(72), C7H11(290); C5H7(210)+C2H4(72)(+M)=>C7H11(290)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.731e+00 -2.668e-01 -1.578e-01 -6.421e-02 / CHEB/ 1.380e+00 1.407e-01 7.934e-02 2.865e-02 / CHEB/ 4.594e-01 6.866e-02 3.746e-02 1.211e-02 / CHEB/ 1.139e-01 2.711e-02 1.580e-02 6.225e-03 / CHEB/ 2.312e-03 -1.097e-02 -3.874e-03 8.835e-04 / CHEB/ -1.444e-02 -1.140e-02 -5.344e-03 -8.630e-04 /

1824.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+1.8	+2.3	+2.6
log₁₀(k(10 bar)/[mole,m,s])	+0.5	+1.5	+2.2	+2.6

Chebyshev(coeffs=[[6.93146,-0.659779,-0.359309,-0.119596],[1.12316,0.380554,0.192284,0.0497355],[0.381828,0.183288,0.0966707,0.0286187],[0.118117,0.0768988,0.0427647,0.015201],[0.008489,-0.0158969,-0.0020183,0.00546249],[-0.0118934,-0.028884,-0.0116869,-8.69455e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -47.20
S298 (cal/mol*K) = -44.55
G298 (kcal/mol) = -33.93

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(291); C2H4(72), C7H11(291); C5H7(210)+C2H4(72)(+M)=>C7H11(291)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.931e+00 -6.598e-01 -3.593e-01 -1.196e-01 / CHEB/ 1.123e+00 3.806e-01 1.923e-01 4.974e-02 / CHEB/ 3.818e-01 1.833e-01 9.667e-02 2.862e-02 / CHEB/ 1.181e-01 7.690e-02 4.276e-02 1.520e-02 / CHEB/ 8.489e-03 -1.590e-02 -2.018e-03 5.462e-03 / CHEB/ -1.189e-02 -2.888e-02 -1.169e-02 -8.695e-05 /

1825.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.2	+2.4	+3.1	+3.6
log₁₀(k(10 bar)/[mole,m,s])	+1.0	+2.3	+3.1	+3.6

Chebyshev(coeffs=[[7.57194,-0.270824,-0.160094,-0.065037],[1.37153,0.133642,0.0754632,0.0272751],[0.480888,0.0683868,0.0366599,0.0112373],[0.126282,0.0296434,0.0167453,0.00609774],[0.00745258,-0.00870984,-0.00266284,0.00123751],[-0.0129547,-0.0103953,-0.00454709,-0.000376298]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.30
S298 (cal/mol*K) = -41.85
G298 (kcal/mol) = -46.83

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(292); C2H4(72), C7H11(292); C5H7(210)+C2H4(72)(+M)=>C7H11(292)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.572e+00 -2.708e-01 -1.601e-01 -6.504e-02 / CHEB/ 1.372e+00 1.336e-01 7.546e-02 2.728e-02 / CHEB/ 4.809e-01 6.839e-02 3.666e-02 1.124e-02 / CHEB/ 1.263e-01 2.964e-02 1.675e-02 6.098e-03 / CHEB/ 7.453e-03 -8.710e-03 -2.663e-03 1.238e-03 / CHEB/ -1.295e-02 -1.040e-02 -4.547e-03 -3.763e-04 /

1826.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.7	-0.3	+0.8	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-2.2	-0.5	+0.8	+1.7

Chebyshev(coeffs=[[4.63879,-0.603529,-0.326187,-0.105887],[1.93663,0.43033,0.224379,0.0652243],[0.767723,0.167594,0.0889708,0.026634],[0.275045,0.0377232,0.0191832,0.0050468],[0.0608954,-0.0433703,-0.019348,-0.00249799],[-0.0014673,-0.035924,-0.0164917,-0.00248218]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -45.00
S298 (cal/mol*K) = -44.97
G298 (kcal/mol) = -31.60

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(293); C2H4(72), C7H11(293); C5H7(210)+C2H4(72)(+M)=>C7H11(293)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.639e+00 -6.035e-01 -3.262e-01 -1.059e-01 / CHEB/ 1.937e+00 4.303e-01 2.244e-01 6.522e-02 / CHEB/ 7.677e-01 1.676e-01 8.897e-02 2.663e-02 / CHEB/ 2.750e-01 3.772e-02 1.918e-02 5.047e-03 / CHEB/ 6.090e-02 -4.337e-02 -1.935e-02 -2.498e-03 / CHEB/ -1.467e-03 -3.592e-02 -1.649e-02 -2.482e-03 /

1827.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.5	+3.8	+3.5	+3.2
log₁₀(k(10 bar)/[mole,m,s])	+4.0	+4.5	+4.4	+4.2

Chebyshev(coeffs=[[9.08605,1.29972,-0.378746,-0.123907],[0.318542,0.354231,0.176323,0.0429216],[-0.0573057,0.19164,0.0965861,0.024472],[-0.118133,0.0892556,0.0465795,0.0138465],[-0.0638679,-0.0107087,0.000765329,0.00619864],[-0.0187847,-0.0289726,-0.0105836,0.00116282]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.30
S298 (cal/mol*K) = -41.85
G298 (kcal/mol) = -46.83

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(294); C2H4(72), C7H11(294); C5H7(210)+C2H4(72)(+M)=>C7H11(294)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.086e+00 1.300e+00 -3.787e-01 -1.239e-01 / CHEB/ 3.185e-01 3.542e-01 1.763e-01 4.292e-02 / CHEB/ -5.731e-02 1.916e-01 9.659e-02 2.447e-02 / CHEB/ -1.181e-01 8.926e-02 4.658e-02 1.385e-02 / CHEB/ -6.387e-02 -1.071e-02 7.653e-04 6.199e-03 / CHEB/ -1.878e-02 -2.897e-02 -1.058e-02 1.163e-03 /

1828.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.0	-8.6	-3.5	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-23.0	-8.7	-3.6	-0.9

Chebyshev(coeffs=[[-15.5362,-0.0737045,-0.0492674,-0.0255158],[20.1267,0.0249459,0.0165017,0.00838317],[0.339938,0.0262661,0.0171521,0.00850406],[0.12304,0.0126229,0.00827747,0.00413795],[0.0118916,-0.00430115,-0.00259538,-0.00108383],[-0.0134877,-0.00516471,-0.00323338,-0.00147094]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.32
S298 (cal/mol*K) = -4.72
G298 (kcal/mol) = 55.73

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(295); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C2H3(100)+C5H8(295)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.554e+01 -7.370e-02 -4.927e-02 -2.552e-02 / CHEB/ 2.013e+01 2.495e-02 1.650e-02 8.383e-03 / CHEB/ 3.399e-01 2.627e-02 1.715e-02 8.504e-03 / CHEB/ 1.230e-01 1.262e-02 8.277e-03 4.138e-03 / CHEB/ 1.189e-02 -4.301e-03 -2.595e-03 -1.084e-03 / CHEB/ -1.349e-02 -5.165e-03 -3.233e-03 -1.471e-03 /

1831.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-1.5	+1.1	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-8.3	-1.6	+1.1	+2.5

Chebyshev(coeffs=[[-1.19986,-0.311601,-0.180569,-0.0697627],[8.97881,0.214495,0.11847,0.0401337],[0.600857,0.0714199,0.0395031,0.0132772],[0.154988,0.0216483,0.0139787,0.00676971],[0.00606283,-0.0152065,-0.00516823,0.00148465],[-0.0154626,-0.0131194,-0.0064412,-0.00131579]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.01
S298 (cal/mol*K) = -6.17
G298 (kcal/mol) = 21.85

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(276); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(276)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.200e+00 -3.116e-01 -1.806e-01 -6.976e-02 / CHEB/ 8.979e+00 2.145e-01 1.185e-01 4.013e-02 / CHEB/ 6.009e-01 7.142e-02 3.950e-02 1.328e-02 / CHEB/ 1.550e-01 2.165e-02 1.398e-02 6.770e-03 / CHEB/ 6.063e-03 -1.521e-02 -5.168e-03 1.485e-03 / CHEB/ -1.546e-02 -1.312e-02 -6.441e-03 -1.316e-03 /

1832.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	-0.5	+1.6	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-5.6	-0.6	+1.5	+2.7

Chebyshev(coeffs=[[1.47909,-0.423643,-0.231656,-0.0780868],[6.37546,0.331517,0.170044,0.0467601],[0.689591,0.0647626,0.0355934,0.0115514],[0.145223,0.0204391,0.0137238,0.00697733],[0.00192431,-0.0154243,-0.00353721,0.00349468],[-0.0152304,-0.0142259,-0.00655965,-0.000842907]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.27
S298 (cal/mol*K) = -29.19
G298 (kcal/mol) = -8.57

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(277); H(25), C7H11(277); C7H10(146)+H(25)(+M)=>C7H11(277)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.479e+00 -4.236e-01 -2.317e-01 -7.809e-02 / CHEB/ 6.375e+00 3.315e-01 1.700e-01 4.676e-02 / CHEB/ 6.896e-01 6.476e-02 3.559e-02 1.155e-02 / CHEB/ 1.452e-01 2.044e-02 1.372e-02 6.977e-03 / CHEB/ 1.924e-03 -1.542e-02 -3.537e-03 3.495e-03 / CHEB/ -1.523e-02 -1.423e-02 -6.560e-03 -8.429e-04 /

1833.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.5	-2.4	+0.1	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-8.7	-2.5	+0.0	+1.4

Chebyshev(coeffs=[[-1.71768,-0.326359,-0.187818,-0.0714182],[8.41044,0.22461,0.123008,0.0407214],[0.526044,0.0738335,0.0403262,0.0130698],[0.140899,0.022182,0.0142938,0.00688393],[0.00790588,-0.0153342,-0.00489586,0.00188158],[-0.0153307,-0.013341,-0.00640517,-0.00114933]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.27
S298 (cal/mol*K) = -29.19
G298 (kcal/mol) = -8.57

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(278); H(25), C7H11(278); C7H10(146)+H(25)(+M)=>C7H11(278)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.718e+00 -3.264e-01 -1.878e-01 -7.142e-02 / CHEB/ 8.410e+00 2.246e-01 1.230e-01 4.072e-02 / CHEB/ 5.260e-01 7.383e-02 4.033e-02 1.307e-02 / CHEB/ 1.409e-01 2.218e-02 1.429e-02 6.884e-03 / CHEB/ 7.906e-03 -1.533e-02 -4.896e-03 1.882e-03 / CHEB/ -1.533e-02 -1.334e-02 -6.405e-03 -1.149e-03 /

1834.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.2	+2.0	+2.8	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+1.8	+2.7	+3.2

Chebyshev(coeffs=[[6.35326,-0.666723,-0.324897,-0.0812614],[2.42486,0.553108,0.243311,0.0375185],[0.351792,0.0729988,0.041641,0.014133],[0.0665767,0.0203517,0.0136159,0.00635989],[-0.00997495,-0.014271,0.00130008,0.00763674],[-0.0175021,-0.0157031,-0.00513059,0.0017476]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -42.87
S298 (cal/mol*K) = -36.07
G298 (kcal/mol) = -32.12

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(279); H(25), C7H11(279); C7H10(146)+H(25)(+M)=>C7H11(279)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.353e+00 -6.667e-01 -3.249e-01 -8.126e-02 / CHEB/ 2.425e+00 5.531e-01 2.433e-01 3.752e-02 / CHEB/ 3.518e-01 7.300e-02 4.164e-02 1.413e-02 / CHEB/ 6.658e-02 2.035e-02 1.362e-02 6.360e-03 / CHEB/ -9.975e-03 -1.427e-02 1.300e-03 7.637e-03 / CHEB/ -1.750e-02 -1.570e-02 -5.131e-03 1.748e-03 /

1835.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.1	+1.8	+2.7	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-0.6	+1.7	+2.7	+3.2

Chebyshev(coeffs=[[6.0553,-0.654745,-0.320405,-0.0811145],[2.65389,0.547272,0.242099,0.038427],[0.400415,0.0689795,0.0401608,0.0141314],[0.0775881,0.0197199,0.0132754,0.00631115],[-0.00627797,-0.0144291,0.000912122,0.007373],[-0.0165109,-0.0156751,-0.00533866,0.00149959]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.37
S298 (cal/mol*K) = -26.49
G298 (kcal/mol) = -21.47

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(280); H(25), C7H11(280); C7H10(146)+H(25)(+M)=>C7H11(280)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.055e+00 -6.547e-01 -3.204e-01 -8.111e-02 / CHEB/ 2.654e+00 5.473e-01 2.421e-01 3.843e-02 / CHEB/ 4.004e-01 6.898e-02 4.016e-02 1.413e-02 / CHEB/ 7.759e-02 1.972e-02 1.328e-02 6.311e-03 / CHEB/ -6.278e-03 -1.443e-02 9.121e-04 7.373e-03 / CHEB/ -1.651e-02 -1.568e-02 -5.339e-03 1.500e-03 /

1836.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.5	+3.4	+4.3	+4.8
log₁₀(k(10 bar)/[mole,m,s])	+1.0	+3.2	+4.2	+4.7

Chebyshev(coeffs=[[7.65648,-0.662867,-0.32301,-0.0807727],[2.58118,0.555955,0.245017,0.0382331],[0.421752,0.0716148,0.0413998,0.0144464],[0.0952387,0.0188038,0.0129917,0.0063533],[0.000129634,-0.015051,0.00078128,0.00743089],[-0.0137609,-0.0159163,-0.00541847,0.0015209]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.37
S298 (cal/mol*K) = -26.49
G298 (kcal/mol) = -21.47

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(281); H(25), C7H11(281); C7H10(146)+H(25)(+M)=>C7H11(281)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.656e+00 -6.629e-01 -3.230e-01 -8.077e-02 / CHEB/ 2.581e+00 5.560e-01 2.450e-01 3.823e-02 / CHEB/ 4.218e-01 7.161e-02 4.140e-02 1.445e-02 / CHEB/ 9.524e-02 1.880e-02 1.299e-02 6.353e-03 / CHEB/ 1.296e-04 -1.505e-02 7.813e-04 7.431e-03 / CHEB/ -1.376e-02 -1.592e-02 -5.418e-03 1.521e-03 /

1837.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.6	-3.8	+0.4	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-15.7	-3.8	+0.4	+2.5

Chebyshev(coeffs=[[-8.52691,-0.157313,-0.0997311,-0.0467289],[16.6859,0.0794102,0.049158,0.0218882],[0.229848,0.053771,0.0326887,0.0139705],[0.0917113,0.0208041,0.0131043,0.00606555],[0.0016104,-0.00990102,-0.00489715,-0.000989667],[-0.0161806,-0.0100181,-0.00559028,-0.00189734]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 53.45
S298 (cal/mol*K) = 15.06
G298 (kcal/mol) = 48.96

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C4H7(282); H(25), C3H4(73); C7H10(146)+H(25)(+M)=>C3H4(73)+C4H7(282)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.527e+00 -1.573e-01 -9.973e-02 -4.673e-02 / CHEB/ 1.669e+01 7.941e-02 4.916e-02 2.189e-02 / CHEB/ 2.298e-01 5.377e-02 3.269e-02 1.397e-02 / CHEB/ 9.171e-02 2.080e-02 1.310e-02 6.066e-03 / CHEB/ 1.610e-03 -9.901e-03 -4.897e-03 -9.897e-04 / CHEB/ -1.618e-02 -1.002e-02 -5.590e-03 -1.897e-03 /

1838.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.5	-6.1	-2.4	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-16.7	-6.2	-2.4	-0.5

Chebyshev(coeffs=[[-9.54743,-0.185589,-0.115649,-0.0523336],[14.616,0.0997697,0.0604083,0.0256257],[0.312954,0.0600504,0.0356918,0.014476],[0.111874,0.0220531,0.013801,0.00630995],[0.00453706,-0.0112505,-0.00519395,-0.000626681],[-0.0159175,-0.0109042,-0.00588273,-0.00179125]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 45.33
S298 (cal/mol*K) = -9.03
G298 (kcal/mol) = 48.02

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(283); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(283)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.547e+00 -1.856e-01 -1.156e-01 -5.233e-02 / CHEB/ 1.462e+01 9.977e-02 6.041e-02 2.563e-02 / CHEB/ 3.130e-01 6.005e-02 3.569e-02 1.448e-02 / CHEB/ 1.119e-01 2.205e-02 1.380e-02 6.310e-03 / CHEB/ 4.537e-03 -1.125e-02 -5.194e-03 -6.267e-04 / CHEB/ -1.592e-02 -1.090e-02 -5.883e-03 -1.791e-03 /

1839.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.4	-7.4	-2.9	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-20.5	-7.5	-2.9	-0.6

Chebyshev(coeffs=[[-13.2868,-0.138737,-0.0889676,-0.0426357],[18.3963,0.0669533,0.0420663,0.0193234],[0.17623,0.0490777,0.0302984,0.0133986],[0.0775773,0.0196599,0.0124653,0.00584366],[-0.000526344,-0.00894594,-0.00462721,-0.00117102],[-0.0162248,-0.00933503,-0.00533553,-0.00194185]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.83
S298 (cal/mol*K) = 0.55
G298 (kcal/mol) = 58.67

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(76); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(76)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.329e+01 -1.387e-01 -8.897e-02 -4.264e-02 / CHEB/ 1.840e+01 6.695e-02 4.207e-02 1.932e-02 / CHEB/ 1.762e-01 4.908e-02 3.030e-02 1.340e-02 / CHEB/ 7.758e-02 1.966e-02 1.247e-02 5.844e-03 / CHEB/ -5.263e-04 -8.946e-03 -4.627e-03 -1.171e-03 / CHEB/ -1.622e-02 -9.335e-03 -5.336e-03 -1.942e-03 /

1840.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.4	-7.4	-2.9	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-20.5	-7.5	-2.9	-0.6

Chebyshev(coeffs=[[-13.2868,-0.138737,-0.0889676,-0.0426357],[18.3963,0.0669533,0.0420663,0.0193234],[0.17623,0.0490777,0.0302984,0.0133986],[0.0775773,0.0196599,0.0124653,0.00584366],[-0.000526336,-0.00894593,-0.00462721,-0.00117102],[-0.0162248,-0.00933503,-0.00533553,-0.00194185]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.83
S298 (cal/mol*K) = 0.55
G298 (kcal/mol) = 58.67

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(167); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(167)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.329e+01 -1.387e-01 -8.897e-02 -4.264e-02 / CHEB/ 1.840e+01 6.695e-02 4.207e-02 1.932e-02 / CHEB/ 1.762e-01 4.908e-02 3.030e-02 1.340e-02 / CHEB/ 7.758e-02 1.966e-02 1.247e-02 5.844e-03 / CHEB/ -5.263e-04 -8.946e-03 -4.627e-03 -1.171e-03 / CHEB/ -1.622e-02 -9.335e-03 -5.336e-03 -1.942e-03 /

1841.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.4	-9.7	-4.4	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-25.4	-9.8	-4.4	-1.7

Chebyshev(coeffs=[[-18.0397,-0.109204,-0.0713259,-0.0354019],[22.1117,0.048702,0.031346,0.0151151],[0.13996,0.0407613,0.0257998,0.012027],[0.0674022,0.0172173,0.0110713,0.00533328],[0.000163948,-0.00735311,-0.00408015,-0.00134734],[-0.0144659,-0.00806196,-0.00479889,-0.00194361]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.93
S298 (cal/mol*K) = -2.15
G298 (kcal/mol) = 71.57

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(284); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(284)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.804e+01 -1.092e-01 -7.133e-02 -3.540e-02 / CHEB/ 2.211e+01 4.870e-02 3.135e-02 1.512e-02 / CHEB/ 1.400e-01 4.076e-02 2.580e-02 1.203e-02 / CHEB/ 6.740e-02 1.722e-02 1.107e-02 5.333e-03 / CHEB/ 1.639e-04 -7.353e-03 -4.080e-03 -1.347e-03 / CHEB/ -1.447e-02 -8.062e-03 -4.799e-03 -1.944e-03 /

1842.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.8	-10.1	-4.8	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-25.9	-10.2	-4.8	-2.1

Chebyshev(coeffs=[[-18.4637,-0.10944,-0.0714694,-0.0354633],[22.1693,0.0488421,0.03143,0.0151497],[0.160556,0.0408296,0.0258379,0.01204],[0.0734275,0.0172402,0.0110846,0.00533836],[0.00213697,-0.00736591,-0.00408499,-0.00134652],[-0.0137841,-0.00807304,-0.0048039,-0.00194405]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.93
S298 (cal/mol*K) = -2.15
G298 (kcal/mol) = 71.57

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(285); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(285)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.846e+01 -1.094e-01 -7.147e-02 -3.546e-02 / CHEB/ 2.217e+01 4.884e-02 3.143e-02 1.515e-02 / CHEB/ 1.606e-01 4.083e-02 2.584e-02 1.204e-02 / CHEB/ 7.343e-02 1.724e-02 1.108e-02 5.338e-03 / CHEB/ 2.137e-03 -7.366e-03 -4.085e-03 -1.347e-03 / CHEB/ -1.378e-02 -8.073e-03 -4.804e-03 -1.944e-03 /

1843.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.5	-3.1	-0.9	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-8.7	-3.2	-1.0	+0.3

Chebyshev(coeffs=[[-1.69201,-0.379744,-0.21249,-0.0756751],[7.19163,0.282073,0.149075,0.0447317],[0.629977,0.0702801,0.038109,0.0120364],[0.142374,0.0210503,0.0139443,0.00698581],[5.25228e-05,-0.0155348,-0.00419222,0.00280279],[-0.0164725,-0.0138195,-0.00648599,-0.000984172]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.90
S298 (cal/mol*K) = -32.26
G298 (kcal/mol) = -2.28

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(286); H(25), C7H11(286); C7H10(146)+H(25)(+M)=>C7H11(286)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.692e+00 -3.797e-01 -2.125e-01 -7.568e-02 / CHEB/ 7.192e+00 2.821e-01 1.491e-01 4.473e-02 / CHEB/ 6.300e-01 7.028e-02 3.811e-02 1.204e-02 / CHEB/ 1.424e-01 2.105e-02 1.394e-02 6.986e-03 / CHEB/ 5.252e-05 -1.553e-02 -4.192e-03 2.803e-03 / CHEB/ -1.647e-02 -1.382e-02 -6.486e-03 -9.842e-04 /

1844.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.3	-12.8	-6.0	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-33.3	-12.8	-6.0	-2.7

Chebyshev(coeffs=[[-25.6963,-0.066398,-0.0445279,-0.0231952],[29.1082,0.0249965,0.0166817,0.00861196],[-0.0616714,0.02729,0.0178948,0.00894307],[0.00398591,0.0122104,0.0080601,0.00407945],[-0.0150791,-0.00489271,-0.0029911,-0.00128864],[-0.0167937,-0.00572981,-0.00362212,-0.00168209]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.36
S298 (cal/mol*K) = 8.44
G298 (kcal/mol) = 83.85

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C6H9(287); H(25), CH2(T)(82); C7H10(146)+H(25)(+M)=>C6H9(287)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.570e+01 -6.640e-02 -4.453e-02 -2.320e-02 / CHEB/ 2.911e+01 2.500e-02 1.668e-02 8.612e-03 / CHEB/ -6.167e-02 2.729e-02 1.789e-02 8.943e-03 / CHEB/ 3.986e-03 1.221e-02 8.060e-03 4.079e-03 / CHEB/ -1.508e-02 -4.893e-03 -2.991e-03 -1.289e-03 / CHEB/ -1.679e-02 -5.730e-03 -3.622e-03 -1.682e-03 /

1845.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.2	-9.2	-3.9	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-24.3	-9.2	-3.9	-1.1

Chebyshev(coeffs=[[-16.7519,-0.117804,-0.0764757,-0.0375233],[21.1158,0.0573811,0.0366247,0.017372],[0.358135,0.0425907,0.0268286,0.0123839],[0.123503,0.0170591,0.010967,0.0052824],[0.0146953,-0.00824573,-0.00452905,-0.00144731],[-0.0104814,-0.00843957,-0.00499919,-0.00200098]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.53
S298 (cal/mol*K) = -1.40
G298 (kcal/mol) = 66.95

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(288); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(288)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.675e+01 -1.178e-01 -7.648e-02 -3.752e-02 / CHEB/ 2.112e+01 5.738e-02 3.662e-02 1.737e-02 / CHEB/ 3.581e-01 4.259e-02 2.683e-02 1.238e-02 / CHEB/ 1.235e-01 1.706e-02 1.097e-02 5.282e-03 / CHEB/ 1.470e-02 -8.246e-03 -4.529e-03 -1.447e-03 / CHEB/ -1.048e-02 -8.440e-03 -4.999e-03 -2.001e-03 /

1846.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	+0.1	+1.5	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+0.0	+1.5	+2.2

Chebyshev(coeffs=[[3.18422,-0.49748,-0.262526,-0.0810748],[4.50028,0.402173,0.196636,0.0463625],[0.480742,0.0615059,0.0344576,0.0114825],[0.0690715,0.0214895,0.0141569,0.00688177],[-0.0211843,-0.0145841,-0.00187693,0.00493582],[-0.0226129,-0.0147978,-0.00629506,-0.000176016]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.64
S298 (cal/mol*K) = -9.92
G298 (kcal/mol) = 6.60

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(289); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(289)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.184e+00 -4.975e-01 -2.625e-01 -8.107e-02 / CHEB/ 4.500e+00 4.022e-01 1.966e-01 4.636e-02 / CHEB/ 4.807e-01 6.151e-02 3.446e-02 1.148e-02 / CHEB/ 6.907e-02 2.149e-02 1.416e-02 6.882e-03 / CHEB/ -2.118e-02 -1.458e-02 -1.877e-03 4.936e-03 / CHEB/ -2.261e-02 -1.480e-02 -6.295e-03 -1.760e-04 /

1847.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.6	+0.7	+2.1	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-3.0	+0.6	+2.1	+2.9

Chebyshev(coeffs=[[3.90201,-0.546389,-0.281076,-0.0814075],[4.32824,0.453951,0.214257,0.044653],[0.584306,0.0564508,0.0334944,0.0123003],[0.0940374,0.0218323,0.0140259,0.00655324],[-0.0103403,-0.0143035,-0.00100715,0.00568388],[-0.0186167,-0.0151104,-0.00614648,0.000201698]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.08
S298 (cal/mol*K) = -26.31
G298 (kcal/mol) = -19.24

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(290); H(25), C7H11(290); C7H10(146)+H(25)(+M)=>C7H11(290)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.902e+00 -5.464e-01 -2.811e-01 -8.141e-02 / CHEB/ 4.328e+00 4.540e-01 2.143e-01 4.465e-02 / CHEB/ 5.843e-01 5.645e-02 3.349e-02 1.230e-02 / CHEB/ 9.404e-02 2.183e-02 1.403e-02 6.553e-03 / CHEB/ -1.034e-02 -1.430e-02 -1.007e-03 5.684e-03 / CHEB/ -1.862e-02 -1.511e-02 -6.146e-03 2.017e-04 /

1848.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	-3.5	-0.4	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-3.6	-0.5	+1.2

Chebyshev(coeffs=[[-4.95269,-0.240007,-0.144808,-0.0612095],[11.5722,0.144556,0.0839938,0.032363],[0.437421,0.0684869,0.0391881,0.0144569],[0.124018,0.0228796,0.014339,0.00658301],[-0.00646396,-0.0133667,-0.00539906,0.000256768],[-0.0196801,-0.0121276,-0.00620977,-0.0015511]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.58
S298 (cal/mol*K) = -28.36
G298 (kcal/mol) = -6.13

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(291); H(25), C7H11(291); C7H10(146)+H(25)(+M)=>C7H11(291)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.953e+00 -2.400e-01 -1.448e-01 -6.121e-02 / CHEB/ 1.157e+01 1.446e-01 8.399e-02 3.236e-02 / CHEB/ 4.374e-01 6.849e-02 3.919e-02 1.446e-02 / CHEB/ 1.240e-01 2.288e-02 1.434e-02 6.583e-03 / CHEB/ -6.464e-03 -1.337e-02 -5.399e-03 2.568e-04 / CHEB/ -1.968e-02 -1.213e-02 -6.210e-03 -1.551e-03 /

1849.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	+0.5	+1.9	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+0.3	+1.8	+2.6

Chebyshev(coeffs=[[3.65856,-0.539992,-0.278704,-0.0814023],[4.32799,0.447371,0.212116,0.0449463],[0.567746,0.0569055,0.0335141,0.0121711],[0.0893297,0.0218209,0.014059,0.00659844],[-0.0122087,-0.0143387,-0.00112355,0.0055862],[-0.0192988,-0.0150752,-0.00617262,0.000146753]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.68
S298 (cal/mol*K) = -25.66
G298 (kcal/mol) = -19.03

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(292); H(25), C7H11(292); C7H10(146)+H(25)(+M)=>C7H11(292)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.659e+00 -5.400e-01 -2.787e-01 -8.140e-02 / CHEB/ 4.328e+00 4.474e-01 2.121e-01 4.495e-02 / CHEB/ 5.677e-01 5.691e-02 3.351e-02 1.217e-02 / CHEB/ 8.933e-02 2.182e-02 1.406e-02 6.598e-03 / CHEB/ -1.221e-02 -1.434e-02 -1.124e-03 5.586e-03 / CHEB/ -1.930e-02 -1.508e-02 -6.173e-03 1.468e-04 /

1850.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.3	-3.4	-0.7	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-10.6	-3.5	-0.7	+0.7

Chebyshev(coeffs=[[-3.51117,-0.289862,-0.170049,-0.0675548],[9.59622,0.190525,0.106869,0.0376902],[0.51906,0.0722723,0.0402082,0.013746],[0.141807,0.0225036,0.014315,0.00675524],[0.00352253,-0.014714,-0.00523333,0.00116224],[-0.0167057,-0.0128871,-0.00636199,-0.00133928]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.38
S298 (cal/mol*K) = -28.78
G298 (kcal/mol) = -3.80

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(293); H(25), C7H11(293); C7H10(146)+H(25)(+M)=>C7H11(293)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.511e+00 -2.899e-01 -1.700e-01 -6.755e-02 / CHEB/ 9.596e+00 1.905e-01 1.069e-01 3.769e-02 / CHEB/ 5.191e-01 7.227e-02 4.021e-02 1.375e-02 / CHEB/ 1.418e-01 2.250e-02 1.432e-02 6.755e-03 / CHEB/ 3.523e-03 -1.471e-02 -5.233e-03 1.162e-03 / CHEB/ -1.671e-02 -1.289e-02 -6.362e-03 -1.339e-03 /

1851.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.6	+3.5	+4.4	+5.0
log₁₀(k(10 bar)/[mole,m,s])	+1.1	+3.3	+4.4	+5.0

Chebyshev(coeffs=[[7.82426,-0.664638,-0.323438,-0.0805575],[2.58195,0.559275,0.246301,0.0383344],[0.442752,0.0722921,0.0417911,0.0146153],[0.108647,0.0181867,0.0127717,0.006367],[0.00604462,-0.0154583,0.000613333,0.00740427],[-0.0115678,-0.0160562,-0.00551254,0.00147802]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.68
S298 (cal/mol*K) = -25.66
G298 (kcal/mol) = -19.03

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(294); H(25), C7H11(294); C7H10(146)+H(25)(+M)=>C7H11(294)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.824e+00 -6.646e-01 -3.234e-01 -8.056e-02 / CHEB/ 2.582e+00 5.593e-01 2.463e-01 3.833e-02 / CHEB/ 4.428e-01 7.229e-02 4.179e-02 1.462e-02 / CHEB/ 1.086e-01 1.819e-02 1.277e-02 6.367e-03 / CHEB/ 6.045e-03 -1.546e-02 6.133e-04 7.404e-03 / CHEB/ -1.157e-02 -1.606e-02 -5.513e-03 1.478e-03 /

1852.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.9	-12.3	-5.5	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-33.0	-12.4	-5.5	-2.2

Chebyshev(coeffs=[[-25.3165,-0.0658459,-0.0441723,-0.0230236],[29.2291,0.0246998,0.0164915,0.00852101],[-0.0618933,0.0271092,0.0177842,0.00889521],[0.00382186,0.0121365,0.00801421,0.00405888],[-0.0150584,-0.00485816,-0.00297342,-0.00128448],[-0.0167417,-0.00569536,-0.00360302,-0.00167582]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.95
S298 (cal/mol*K) = 11.47
G298 (kcal/mol) = 83.53

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C5H8(295); H(25), C2H3(100); C7H10(146)+H(25)(+M)=>C2H3(100)+C5H8(295)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.532e+01 -6.585e-02 -4.417e-02 -2.302e-02 / CHEB/ 2.923e+01 2.470e-02 1.649e-02 8.521e-03 / CHEB/ -6.189e-02 2.711e-02 1.778e-02 8.895e-03 / CHEB/ 3.822e-03 1.214e-02 8.014e-03 4.059e-03 / CHEB/ -1.506e-02 -4.858e-03 -2.973e-03 -1.284e-03 / CHEB/ -1.674e-02 -5.695e-03 -3.603e-03 -1.676e-03 /

1855.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+1.0	+2.4	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+1.0	+2.4	+3.2

Chebyshev(coeffs=[[5.36694,-0.183276,-0.105686,-0.0479877],[2.87788,0.105676,0.056069,0.0259074],[0.76462,0.0502622,0.0304531,0.011518],[0.162371,0.0186746,0.0114978,0.00498338],[0.00259276,-0.00981276,-0.00512766,-0.00130056],[-0.0182278,-0.0088501,-0.0050911,-0.00195719]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.49
S298 (cal/mol*K) = -11.05
G298 (kcal/mol) = -20.20

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(276); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(276)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.367e+00 -1.833e-01 -1.057e-01 -4.799e-02 / CHEB/ 2.878e+00 1.057e-01 5.607e-02 2.591e-02 / CHEB/ 7.646e-01 5.026e-02 3.045e-02 1.152e-02 / CHEB/ 1.624e-01 1.867e-02 1.150e-02 4.983e-03 / CHEB/ 2.593e-03 -9.813e-03 -5.128e-03 -1.301e-03 / CHEB/ -1.823e-02 -8.850e-03 -5.091e-03 -1.957e-03 /

1856.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+1.6	+2.6	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-0.3	+1.5	+2.6	+3.2

Chebyshev(coeffs=[[6.32066,-0.190086,-0.108913,-0.049351],[2.16354,0.105803,0.0554883,0.0257908],[0.579589,0.0533799,0.032061,0.0119533],[0.134183,0.0202888,0.0123004,0.0052749],[0.00169246,-0.00990172,-0.00507166,-0.00117259],[-0.0174729,-0.00926163,-0.0052541,-0.00196697]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.77
S298 (cal/mol*K) = -34.07
G298 (kcal/mol) = -50.62

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(277); H(25), C7H11(277); C7H10(18)+H(25)(+M)=>C7H11(277)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.321e+00 -1.901e-01 -1.089e-01 -4.935e-02 / CHEB/ 2.164e+00 1.058e-01 5.549e-02 2.579e-02 / CHEB/ 5.796e-01 5.338e-02 3.206e-02 1.195e-02 / CHEB/ 1.342e-01 2.029e-02 1.230e-02 5.275e-03 / CHEB/ 1.692e-03 -9.902e-03 -5.072e-03 -1.173e-03 / CHEB/ -1.747e-02 -9.262e-03 -5.254e-03 -1.967e-03 /

1857.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+0.0	+1.2	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-2.3	-0.0	+1.2	+1.9

Chebyshev(coeffs=[[4.51661,-0.18557,-0.106816,-0.048464],[2.59733,0.105279,0.0556594,0.0257643],[0.672734,0.0510971,0.030856,0.0116118],[0.144182,0.0192055,0.0117531,0.00507001],[0.00393281,-0.00978895,-0.00508765,-0.00125605],[-0.0179568,-0.00894977,-0.00512867,-0.0019569]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.77
S298 (cal/mol*K) = -34.07
G298 (kcal/mol) = -50.62

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(278); H(25), C7H11(278); C7H10(18)+H(25)(+M)=>C7H11(278)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.517e+00 -1.856e-01 -1.068e-01 -4.846e-02 / CHEB/ 2.597e+00 1.053e-01 5.566e-02 2.576e-02 / CHEB/ 6.727e-01 5.110e-02 3.086e-02 1.161e-02 / CHEB/ 1.442e-01 1.921e-02 1.175e-02 5.070e-03 / CHEB/ 3.933e-03 -9.789e-03 -5.088e-03 -1.256e-03 / CHEB/ -1.796e-02 -8.950e-03 -5.129e-03 -1.957e-03 /

1858.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.2	+2.9	+3.2	+3.3
log₁₀(k(10 bar)/[mole,m,s])	+2.0	+2.8	+3.2	+3.3

Chebyshev(coeffs=[[8.25355,-0.201992,-0.114603,-0.0517758],[0.908205,0.102299,0.0524668,0.0246885],[0.149509,0.0577001,0.0341462,0.0124136],[0.0216878,0.023954,0.0141165,0.00595897],[-0.0197398,-0.00918852,-0.00452227,-0.000727956],[-0.0205658,-0.00975332,-0.00538994,-0.00186995]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -86.37
S298 (cal/mol*K) = -40.95
G298 (kcal/mol) = -74.17

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(279); H(25), C7H11(279); C7H10(18)+H(25)(+M)=>C7H11(279)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.254e+00 -2.020e-01 -1.146e-01 -5.178e-02 / CHEB/ 9.082e-01 1.023e-01 5.247e-02 2.469e-02 / CHEB/ 1.495e-01 5.770e-02 3.415e-02 1.241e-02 / CHEB/ 2.169e-02 2.395e-02 1.412e-02 5.959e-03 / CHEB/ -1.974e-02 -9.189e-03 -4.522e-03 -7.280e-04 / CHEB/ -2.057e-02 -9.753e-03 -5.390e-03 -1.870e-03 /

1859.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.3	+4.9	+5.1	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+3.8	+4.5	+5.0	+5.1

Chebyshev(coeffs=[[10.2492,-0.666541,-0.249038,-0.032502],[0.661579,0.35156,0.0930516,-0.00633425],[0.20096,0.193638,0.0696299,-0.0028007],[0.0533689,0.0761024,0.0365668,0.00583908],[-0.0144497,-0.00693539,0.00706541,0.00907242],[-0.0206073,-0.0204269,-0.00328398,0.00424598]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.87
S298 (cal/mol*K) = -31.37
G298 (kcal/mol) = -63.52

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(280); H(25), C7H11(280); C7H10(18)+H(25)(+M)=>C7H11(280)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.025e+01 -6.665e-01 -2.490e-01 -3.250e-02 / CHEB/ 6.616e-01 3.516e-01 9.305e-02 -6.334e-03 / CHEB/ 2.010e-01 1.936e-01 6.963e-02 -2.801e-03 / CHEB/ 5.337e-02 7.610e-02 3.657e-02 5.839e-03 / CHEB/ -1.445e-02 -6.935e-03 7.065e-03 9.072e-03 / CHEB/ -2.061e-02 -2.043e-02 -3.284e-03 4.246e-03 /

1860.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.5	+4.4	+4.8	+5.0
log₁₀(k(10 bar)/[mole,m,s])	+3.4	+4.3	+4.7	+4.9

Chebyshev(coeffs=[[9.66066,-0.200873,-0.114032,-0.0515293],[1.05585,0.103195,0.0530412,0.02493],[0.207569,0.0576769,0.0341762,0.0124591],[0.0440267,0.0236763,0.0139915,0.00591359],[-0.0123353,-0.00934371,-0.00461192,-0.000784378],[-0.0175532,-0.00978038,-0.00541408,-0.00189778]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.87
S298 (cal/mol*K) = -31.37
G298 (kcal/mol) = -63.52

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(281); H(25), C7H11(281); C7H10(18)+H(25)(+M)=>C7H11(281)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.661e+00 -2.009e-01 -1.140e-01 -5.153e-02 / CHEB/ 1.056e+00 1.032e-01 5.304e-02 2.493e-02 / CHEB/ 2.076e-01 5.768e-02 3.418e-02 1.246e-02 / CHEB/ 4.403e-02 2.368e-02 1.399e-02 5.914e-03 / CHEB/ -1.234e-02 -9.344e-03 -4.612e-03 -7.844e-04 / CHEB/ -1.755e-02 -9.780e-03 -5.414e-03 -1.898e-03 /

1861.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	-0.2	+2.1	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-5.3	-0.2	+2.1	+3.4

Chebyshev(coeffs=[[2.00633,-0.146955,-0.0877541,-0.0403682],[6.27244,0.0833163,0.0464552,0.0211848],[0.944861,0.0422759,0.0261585,0.0107003],[0.169498,0.015749,0.0100431,0.00453497],[-0.00431538,-0.00837642,-0.00476378,-0.00152833],[-0.0208354,-0.00759962,-0.00451101,-0.00186857]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.94
S298 (cal/mol*K) = 10.18
G298 (kcal/mol) = 6.91

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H7(282); H(25), C3H4(73); C7H10(18)+H(25)(+M)=>C3H4(73)+C4H7(282)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.006e+00 -1.470e-01 -8.775e-02 -4.037e-02 / CHEB/ 6.272e+00 8.332e-02 4.646e-02 2.118e-02 / CHEB/ 9.449e-01 4.228e-02 2.616e-02 1.070e-02 / CHEB/ 1.695e-01 1.575e-02 1.004e-02 4.535e-03 / CHEB/ -4.315e-03 -8.376e-03 -4.764e-03 -1.528e-03 / CHEB/ -2.084e-02 -7.600e-03 -4.511e-03 -1.869e-03 /

1862.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-2.8	-0.8	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-2.9	-0.8	+0.3

Chebyshev(coeffs=[[0.132683,-0.161353,-0.0951097,-0.0435042],[5.0392,0.0946308,0.051917,0.0237291],[0.985287,0.0434225,0.0267072,0.0106042],[0.163668,0.0166275,0.0105314,0.00466763],[-0.00294925,-0.00884437,-0.00490292,-0.00146005],[-0.0201756,-0.00795862,-0.00469265,-0.0019012]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.83
S298 (cal/mol*K) = -13.91
G298 (kcal/mol) = 5.98

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(283); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(283)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.327e-01 -1.614e-01 -9.511e-02 -4.350e-02 / CHEB/ 5.039e+00 9.463e-02 5.192e-02 2.373e-02 / CHEB/ 9.853e-01 4.342e-02 2.671e-02 1.060e-02 / CHEB/ 1.637e-01 1.663e-02 1.053e-02 4.668e-03 / CHEB/ -2.949e-03 -8.844e-03 -4.903e-03 -1.460e-03 / CHEB/ -2.018e-02 -7.959e-03 -4.693e-03 -1.901e-03 /

1863.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-3.6	-1.0	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-3.6	-1.1	+0.3

Chebyshev(coeffs=[[-2.20661,-0.134661,-0.0813388,-0.0376026],[7.49287,0.0734048,0.0414924,0.0188421],[0.876787,0.041217,0.0256827,0.0107884],[0.176586,0.0152106,0.00970132,0.00446703],[-0.00315382,-0.00798883,-0.00462165,-0.00158459],[-0.0212059,-0.00730643,-0.00436316,-0.00184184]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.33
S298 (cal/mol*K) = -4.33
G298 (kcal/mol) = 16.62

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(76); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(76)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.207e+00 -1.347e-01 -8.134e-02 -3.760e-02 / CHEB/ 7.493e+00 7.340e-02 4.149e-02 1.884e-02 / CHEB/ 8.768e-01 4.122e-02 2.568e-02 1.079e-02 / CHEB/ 1.766e-01 1.521e-02 9.701e-03 4.467e-03 / CHEB/ -3.154e-03 -7.989e-03 -4.622e-03 -1.585e-03 / CHEB/ -2.121e-02 -7.306e-03 -4.363e-03 -1.842e-03 /

1864.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-3.6	-1.0	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-3.6	-1.1	+0.3

Chebyshev(coeffs=[[-2.20661,-0.134661,-0.0813388,-0.0376026],[7.49287,0.0734048,0.0414923,0.0188421],[0.876787,0.041217,0.0256827,0.0107884],[0.176586,0.0152106,0.00970132,0.00446703],[-0.00315381,-0.00798883,-0.00462165,-0.00158459],[-0.0212059,-0.00730643,-0.00436316,-0.00184184]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.33
S298 (cal/mol*K) = -4.33
G298 (kcal/mol) = 16.62

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(167); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(167)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.207e+00 -1.347e-01 -8.134e-02 -3.760e-02 / CHEB/ 7.493e+00 7.340e-02 4.149e-02 1.884e-02 / CHEB/ 8.768e-01 4.122e-02 2.568e-02 1.079e-02 / CHEB/ 1.766e-01 1.521e-02 9.701e-03 4.467e-03 / CHEB/ -3.154e-03 -7.989e-03 -4.622e-03 -1.585e-03 / CHEB/ -2.121e-02 -7.306e-03 -4.363e-03 -1.842e-03 /

1865.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.4	-5.5	-2.3	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-5.6	-2.4	-0.6

Chebyshev(coeffs=[[-6.12075,-0.111714,-0.069164,-0.032362],[10.5369,0.0562669,0.0328798,0.0147261],[0.763363,0.0375602,0.0237497,0.0105822],[0.192501,0.0142873,0.00913369,0.00436302],[0.00790505,-0.00703019,-0.00420114,-0.00164488],[-0.018771,-0.00670826,-0.00407353,-0.00178306]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.43
S298 (cal/mol*K) = -7.03
G298 (kcal/mol) = 29.53

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(284); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(284)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.121e+00 -1.117e-01 -6.916e-02 -3.236e-02 / CHEB/ 1.054e+01 5.627e-02 3.288e-02 1.473e-02 / CHEB/ 7.634e-01 3.756e-02 2.375e-02 1.058e-02 / CHEB/ 1.925e-01 1.429e-02 9.134e-03 4.363e-03 / CHEB/ 7.905e-03 -7.030e-03 -4.201e-03 -1.645e-03 / CHEB/ -1.877e-02 -6.708e-03 -4.074e-03 -1.783e-03 /

1866.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-5.9	-2.7	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-13.9	-6.0	-2.7	-1.0

Chebyshev(coeffs=[[-6.55126,-0.11191,-0.0692696,-0.0324068],[10.5994,0.0564048,0.0329495,0.0147587],[0.784718,0.0375999,0.0237717,0.0105861],[0.198399,0.014297,0.00913932,0.00436456],[0.0097814,-0.00703993,-0.00420566,-0.00164478],[-0.0181064,-0.0067141,-0.00407638,-0.00178378]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.43
S298 (cal/mol*K) = -7.03
G298 (kcal/mol) = 29.53

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(285); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(285)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.551e+00 -1.119e-01 -6.927e-02 -3.241e-02 / CHEB/ 1.060e+01 5.640e-02 3.295e-02 1.476e-02 / CHEB/ 7.847e-01 3.760e-02 2.377e-02 1.059e-02 / CHEB/ 1.984e-01 1.430e-02 9.139e-03 4.365e-03 / CHEB/ 9.781e-03 -7.040e-03 -4.206e-03 -1.645e-03 / CHEB/ -1.811e-02 -6.714e-03 -4.076e-03 -1.784e-03 /

1867.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.9	-0.9	+0.2	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-3.0	-1.0	+0.2	+0.8

Chebyshev(coeffs=[[3.7133,-0.188362,-0.108114,-0.0490131],[2.33393,0.105671,0.0555909,0.0257966],[0.621024,0.0524932,0.0315954,0.0118212],[0.136737,0.0198417,0.0120737,0.00518965],[-0.000790611,-0.00986689,-0.00508274,-0.0012075],[-0.0187098,-0.0091367,-0.00520415,-0.00196334]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -55.40
S298 (cal/mol*K) = -37.14
G298 (kcal/mol) = -44.33

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(286); H(25), C7H11(286); C7H10(18)+H(25)(+M)=>C7H11(286)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.713e+00 -1.884e-01 -1.081e-01 -4.901e-02 / CHEB/ 2.334e+00 1.057e-01 5.559e-02 2.580e-02 / CHEB/ 6.210e-01 5.249e-02 3.160e-02 1.182e-02 / CHEB/ 1.367e-01 1.984e-02 1.207e-02 5.190e-03 / CHEB/ -7.906e-04 -9.867e-03 -5.083e-03 -1.207e-03 / CHEB/ -1.871e-02 -9.137e-03 -5.204e-03 -1.963e-03 /

1868.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.9	-7.9	-3.6	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-20.0	-8.0	-3.6	-1.3

Chebyshev(coeffs=[[-12.6483,-0.0728017,-0.047328,-0.0234127],[16.7862,0.0314894,0.0198407,0.00931812],[0.393074,0.0273917,0.0178882,0.0088337],[0.133617,0.0114493,0.00742113,0.00364872],[0.00888373,-0.00476785,-0.00303376,-0.00142321],[-0.0160612,-0.00516988,-0.00325479,-0.00150956]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.86
S298 (cal/mol*K) = 3.55
G298 (kcal/mol) = 41.80

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(287); H(25), CH2(T)(82); C7H10(18)+H(25)(+M)=>C6H9(287)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.265e+01 -7.280e-02 -4.733e-02 -2.341e-02 / CHEB/ 1.679e+01 3.149e-02 1.984e-02 9.318e-03 / CHEB/ 3.931e-01 2.739e-02 1.789e-02 8.834e-03 / CHEB/ 1.336e-01 1.145e-02 7.421e-03 3.649e-03 / CHEB/ 8.884e-03 -4.768e-03 -3.034e-03 -1.423e-03 / CHEB/ -1.606e-02 -5.170e-03 -3.255e-03 -1.510e-03 /

1869.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.5	-5.0	-1.8	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-5.1	-1.8	-0.0

Chebyshev(coeffs=[[-5.06781,-0.118057,-0.0724769,-0.0337937],[9.82705,0.0639797,0.0369386,0.0166134],[0.990083,0.0378936,0.0240061,0.0105306],[0.229914,0.0138874,0.00893784,0.00429389],[0.0169366,-0.00754811,-0.00446771,-0.00167931],[-0.0149074,-0.0068489,-0.0041473,-0.00180907]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.03
S298 (cal/mol*K) = -6.28
G298 (kcal/mol) = 24.90

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(288); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(288)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.068e+00 -1.181e-01 -7.248e-02 -3.379e-02 / CHEB/ 9.827e+00 6.398e-02 3.694e-02 1.661e-02 / CHEB/ 9.901e-01 3.789e-02 2.401e-02 1.053e-02 / CHEB/ 2.299e-01 1.389e-02 8.938e-03 4.294e-03 / CHEB/ 1.694e-02 -7.548e-03 -4.468e-03 -1.679e-03 / CHEB/ -1.491e-02 -6.849e-03 -4.147e-03 -1.809e-03 /

1870.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.8	+1.8	+2.3	+2.6
log₁₀(k(10 bar)/[mole,m,s])	+0.7	+1.8	+2.3	+2.5

Chebyshev(coeffs=[[7.04282,-0.194735,-0.111172,-0.0503095],[1.1945,0.104371,0.054295,0.0253479],[0.297607,0.0549712,0.0328137,0.0121125],[0.0526948,0.0216134,0.0129466,0.00551057],[-0.0213154,-0.00967047,-0.00489053,-0.001025],[-0.0243778,-0.00944788,-0.005312,-0.00194305]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -39.86
S298 (cal/mol*K) = -14.80
G298 (kcal/mol) = -35.45

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(289); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(289)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.043e+00 -1.947e-01 -1.112e-01 -5.031e-02 / CHEB/ 1.195e+00 1.044e-01 5.429e-02 2.535e-02 / CHEB/ 2.976e-01 5.497e-02 3.281e-02 1.211e-02 / CHEB/ 5.269e-02 2.161e-02 1.295e-02 5.511e-03 / CHEB/ -2.132e-02 -9.670e-03 -4.891e-03 -1.025e-03 / CHEB/ -2.438e-02 -9.448e-03 -5.312e-03 -1.943e-03 /

1871.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+2.2	+2.9	+3.2
log₁₀(k(10 bar)/[mole,m,s])	+0.8	+2.1	+2.8	+3.2

Chebyshev(coeffs=[[7.23849,-0.196565,-0.112038,-0.0506783],[1.54512,0.103953,0.0538915,0.0252075],[0.354621,0.0556979,0.0331727,0.0121983],[0.0729888,0.0221717,0.0132248,0.00561593],[-0.012018,-0.00958811,-0.00481917,-0.000961383],[-0.0203747,-0.00953881,-0.00534089,-0.00193183]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.58
S298 (cal/mol*K) = -31.19
G298 (kcal/mol) = -61.29

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(290); H(25), C7H11(290); C7H10(18)+H(25)(+M)=>C7H11(290)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.238e+00 -1.966e-01 -1.120e-01 -5.068e-02 / CHEB/ 1.545e+00 1.040e-01 5.389e-02 2.521e-02 / CHEB/ 3.546e-01 5.570e-02 3.317e-02 1.220e-02 / CHEB/ 7.299e-02 2.217e-02 1.322e-02 5.616e-03 / CHEB/ -1.202e-02 -9.588e-03 -4.819e-03 -9.614e-04 / CHEB/ -2.037e-02 -9.539e-03 -5.341e-03 -1.932e-03 /

1872.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	-0.6	+1.0	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-3.9	-0.7	+1.0	+1.9

Chebyshev(coeffs=[[3.17965,-0.175624,-0.102082,-0.0464627],[3.67119,0.103017,0.055359,0.0254431],[0.889709,0.0468988,0.0286308,0.0110124],[0.153676,0.0176632,0.0110072,0.00481186],[-0.012645,-0.00938105,-0.00501433,-0.00136076],[-0.0229131,-0.00843127,-0.00491235,-0.0019331]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -58.08
S298 (cal/mol*K) = -33.24
G298 (kcal/mol) = -48.17

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(291); H(25), C7H11(291); C7H10(18)+H(25)(+M)=>C7H11(291)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.180e+00 -1.756e-01 -1.021e-01 -4.646e-02 / CHEB/ 3.671e+00 1.030e-01 5.536e-02 2.544e-02 / CHEB/ 8.897e-01 4.690e-02 2.863e-02 1.101e-02 / CHEB/ 1.537e-01 1.766e-02 1.101e-02 4.812e-03 / CHEB/ -1.265e-02 -9.381e-03 -5.014e-03 -1.361e-03 / CHEB/ -2.291e-02 -8.431e-03 -4.912e-03 -1.933e-03 /

1873.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.8	+2.0	+2.6	+2.9
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+1.9	+2.6	+2.9

Chebyshev(coeffs=[[7.06328,-0.196322,-0.111923,-0.0506292],[1.47818,0.104014,0.0539482,0.0252275],[0.342702,0.0556035,0.0331263,0.0121875],[0.0690702,0.0220964,0.0131872,0.00560167],[-0.0136553,-0.00960063,-0.00482949,-0.000970255],[-0.0210537,-0.00952728,-0.0053374,-0.00193358]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.18
S298 (cal/mol*K) = -30.54
G298 (kcal/mol) = -61.08

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(292); H(25), C7H11(292); C7H10(18)+H(25)(+M)=>C7H11(292)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.063e+00 -1.963e-01 -1.119e-01 -5.063e-02 / CHEB/ 1.478e+00 1.040e-01 5.395e-02 2.523e-02 / CHEB/ 3.427e-01 5.560e-02 3.313e-02 1.219e-02 / CHEB/ 6.907e-02 2.210e-02 1.319e-02 5.602e-03 / CHEB/ -1.366e-02 -9.601e-03 -4.829e-03 -9.703e-04 / CHEB/ -2.105e-02 -9.527e-03 -5.337e-03 -1.934e-03 /

1874.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	-0.8	+0.6	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-3.4	-0.8	+0.6	+1.4

Chebyshev(coeffs=[[3.4559,-0.182005,-0.105114,-0.0477455],[2.99745,0.104998,0.0558391,0.0257749],[0.773766,0.0495493,0.0300553,0.0113983],[0.155915,0.0185135,0.0114156,0.00495183],[-0.00040637,-0.00967891,-0.00508027,-0.00130356],[-0.019448,-0.00874977,-0.00504723,-0.00194959]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -55.88
S298 (cal/mol*K) = -33.66
G298 (kcal/mol) = -45.85

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(293); H(25), C7H11(293); C7H10(18)+H(25)(+M)=>C7H11(293)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.456e+00 -1.820e-01 -1.051e-01 -4.775e-02 / CHEB/ 2.997e+00 1.050e-01 5.584e-02 2.577e-02 / CHEB/ 7.738e-01 4.955e-02 3.006e-02 1.140e-02 / CHEB/ 1.559e-01 1.851e-02 1.142e-02 4.952e-03 / CHEB/ -4.064e-04 -9.679e-03 -5.080e-03 -1.304e-03 / CHEB/ -1.945e-02 -8.750e-03 -5.047e-03 -1.950e-03 /

1875.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+4.6	+5.0	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+3.6	+4.5	+4.9	+5.2

Chebyshev(coeffs=[[9.82809,-0.200534,-0.11385,-0.0514507],[1.09176,0.10356,0.0532628,0.0250261],[0.228131,0.0577386,0.0342265,0.012489],[0.0540852,0.0236139,0.0139676,0.00590619],[-0.00795582,-0.00939743,-0.00464042,-0.000800777],[-0.015818,-0.00979969,-0.00542621,-0.00190761]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.18
S298 (cal/mol*K) = -30.54
G298 (kcal/mol) = -61.08

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(294); H(25), C7H11(294); C7H10(18)+H(25)(+M)=>C7H11(294)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.828e+00 -2.005e-01 -1.139e-01 -5.145e-02 / CHEB/ 1.092e+00 1.036e-01 5.326e-02 2.503e-02 / CHEB/ 2.281e-01 5.774e-02 3.423e-02 1.249e-02 / CHEB/ 5.409e-02 2.361e-02 1.397e-02 5.906e-03 / CHEB/ -7.956e-03 -9.397e-03 -4.640e-03 -8.008e-04 / CHEB/ -1.582e-02 -9.800e-03 -5.426e-03 -1.908e-03 /

1876.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.5	-7.5	-3.1	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-19.6	-7.5	-3.1	-0.8

Chebyshev(coeffs=[[-12.2549,-0.0722591,-0.0470077,-0.0232798],[16.8992,0.0311639,0.0196583,0.00924813],[0.390607,0.0272321,0.0177918,0.00879531],[0.133276,0.011397,0.00738896,0.00363406],[0.00905293,-0.00473337,-0.00301399,-0.00141624],[-0.0159351,-0.00514317,-0.00323979,-0.00150407]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.44
S298 (cal/mol*K) = 6.59
G298 (kcal/mol) = 41.48

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H8(295); H(25), C2H3(100); C7H10(18)+H(25)(+M)=>C2H3(100)+C5H8(295)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.225e+01 -7.226e-02 -4.701e-02 -2.328e-02 / CHEB/ 1.690e+01 3.116e-02 1.966e-02 9.248e-03 / CHEB/ 3.906e-01 2.723e-02 1.779e-02 8.795e-03 / CHEB/ 1.333e-01 1.140e-02 7.389e-03 3.634e-03 / CHEB/ 9.053e-03 -4.733e-03 -3.014e-03 -1.416e-03 / CHEB/ -1.594e-02 -5.143e-03 -3.240e-03 -1.504e-03 /

1895.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	+1.5	+4.7	+6.1
log₁₀(k(10 bar)/[mole,m,s])	-8.7	+1.2	+4.5	+6.0

Chebyshev(coeffs=[[-1.43241,-0.680742,-0.322542,-0.0797532],[13.3051,0.339921,0.139528,0.021398],[0.298048,0.179818,0.0772292,0.00846501],[-0.0199528,0.0797637,0.0396467,0.00933062],[-0.0693941,0.000669971,0.00851781,0.00834962],[-0.0454793,-0.0163459,-0.00269849,0.00379809]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.02
S298 (cal/mol*K) = 39.81
G298 (kcal/mol) = 20.16

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(353); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(353)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.432e+00 -6.807e-01 -3.225e-01 -7.975e-02 / CHEB/ 1.331e+01 3.399e-01 1.395e-01 2.140e-02 / CHEB/ 2.980e-01 1.798e-01 7.723e-02 8.465e-03 / CHEB/ -1.995e-02 7.976e-02 3.965e-02 9.331e-03 / CHEB/ -6.939e-02 6.700e-04 8.518e-03 8.350e-03 / CHEB/ -4.548e-02 -1.635e-02 -2.698e-03 3.798e-03 /

1896.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	+2.9	+5.7	+6.8
log₁₀(k(10 bar)/[mole,m,s])	-6.1	+2.5	+5.5	+6.8

Chebyshev(coeffs=[[1.20497,-0.83158,-0.363252,-0.0676598],[11.3603,0.458742,0.163693,0.00420996],[0.344221,0.190096,0.0792816,0.00760427],[-0.0229184,0.0786845,0.0395516,0.00985656],[-0.0785055,0.00222785,0.0103759,0.00887128],[-0.0501744,-0.0149739,-0.0014453,0.00414943]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.82
S298 (cal/mol*K) = 50.70
G298 (kcal/mol) = 7.71

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H9(355); H(25), C#C(354); C7H10(1)+H(25)(+M)=>C5H9(355)+C#C(354)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.205e+00 -8.316e-01 -3.633e-01 -6.766e-02 / CHEB/ 1.136e+01 4.587e-01 1.637e-01 4.210e-03 / CHEB/ 3.442e-01 1.901e-01 7.928e-02 7.604e-03 / CHEB/ -2.292e-02 7.868e-02 3.955e-02 9.857e-03 / CHEB/ -7.851e-02 2.228e-03 1.038e-02 8.871e-03 / CHEB/ -5.017e-02 -1.497e-02 -1.445e-03 4.149e-03 /

1897.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	+2.2	+4.8	+5.9
log₁₀(k(10 bar)/[mole,m,s])	-6.3	+1.8	+4.6	+5.8

Chebyshev(coeffs=[[1.09384,-0.934735,-0.380048,-0.0538443],[10.4178,0.564603,0.175701,-0.013465],[0.451055,0.187266,0.081508,0.00929264],[-0.00439863,0.0740153,0.0389452,0.0110495],[-0.0745193,0.00229714,0.0109847,0.00903086],[-0.0492645,-0.0144979,-0.00109269,0.00417581]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.85
S298 (cal/mol*K) = 18.23
G298 (kcal/mol) = -8.28

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(356); H(25), C7H11(356); C7H10(1)+H(25)(+M)=>C7H11(356)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.094e+00 -9.347e-01 -3.800e-01 -5.384e-02 / CHEB/ 1.042e+01 5.646e-01 1.757e-01 -1.347e-02 / CHEB/ 4.511e-01 1.873e-01 8.151e-02 9.293e-03 / CHEB/ -4.399e-03 7.402e-02 3.895e-02 1.105e-02 / CHEB/ -7.452e-02 2.297e-03 1.098e-02 9.031e-03 / CHEB/ -4.926e-02 -1.450e-02 -1.093e-03 4.176e-03 /

1898.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.2	+4.0	+5.4	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-2.2	+3.9	+5.8	+6.3

Chebyshev(coeffs=[[4.99608,-0.761667,-0.476932,0.00582792],[6.42475,1.80928,-0.0407697,-0.103696],[0.276429,0.375824,0.140741,-0.0245148],[-0.120332,0.108201,0.080722,0.00879946],[-0.147537,0.0241419,0.0321046,0.0126058],[-0.0838886,-0.0108788,0.00920938,0.00770343]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.40
S298 (cal/mol*K) = 19.94
G298 (kcal/mol) = -19.34

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(357); H(25), C7H11(357); C7H10(1)+H(25)(+M)=>C7H11(357)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.996e+00 -7.617e-01 -4.769e-01 5.828e-03 / CHEB/ 6.425e+00 1.809e+00 -4.077e-02 -1.037e-01 / CHEB/ 2.764e-01 3.758e-01 1.407e-01 -2.451e-02 / CHEB/ -1.203e-01 1.082e-01 8.072e-02 8.799e-03 / CHEB/ -1.475e-01 2.414e-02 3.210e-02 1.261e-02 / CHEB/ -8.389e-02 -1.088e-02 9.209e-03 7.703e-03 /

1899.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.6	-3.1	+2.0	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-19.9	-3.3	+2.0	+4.4

Chebyshev(coeffs=[[-12.546,-0.314608,-0.175486,-0.0643794],[23.2455,0.122428,0.0626892,0.0200106],[-0.12267,0.123188,0.0638934,0.0170935],[-0.107782,0.0514065,0.0286803,0.0100409],[-0.0785387,-0.00969083,-0.000725997,0.00400719],[-0.0439644,-0.0163014,-0.00616002,0.000579721]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 73.74
S298 (cal/mol*K) = 56.70
G298 (kcal/mol) = 56.84

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H6(74); H(25), C3H5(98); C7H10(1)+H(25)(+M)=>C4H6(74)+C3H5(98)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.255e+01 -3.146e-01 -1.755e-01 -6.438e-02 / CHEB/ 2.325e+01 1.224e-01 6.269e-02 2.001e-02 / CHEB/ -1.227e-01 1.232e-01 6.389e-02 1.709e-02 / CHEB/ -1.078e-01 5.141e-02 2.868e-02 1.004e-02 / CHEB/ -7.854e-02 -9.691e-03 -7.260e-04 4.007e-03 / CHEB/ -4.396e-02 -1.630e-02 -6.160e-03 5.797e-04 /

1900.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.6	-1.2	+3.8	+6.1
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-1.3	+3.7	+6.1

Chebyshev(coeffs=[[-9.42434,-0.357139,-0.196919,-0.0695466],[21.5906,0.137647,0.070969,0.0223829],[0.0890504,0.135614,0.0676545,0.0156773],[-0.0543906,0.0588912,0.031936,0.0102879],[-0.0672414,-0.00807501,0.000958561,0.00521352],[-0.0400254,-0.0170833,-0.00586509,0.00128082]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.14
S298 (cal/mol*K) = 59.25
G298 (kcal/mol) = 49.48

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H7(358); H(25), C3H4(73); C7H10(1)+H(25)(+M)=>C3H4(73)+C4H7(358)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.424e+00 -3.571e-01 -1.969e-01 -6.955e-02 / CHEB/ 2.159e+01 1.376e-01 7.097e-02 2.238e-02 / CHEB/ 8.905e-02 1.356e-01 6.765e-02 1.568e-02 / CHEB/ -5.439e-02 5.889e-02 3.194e-02 1.029e-02 / CHEB/ -6.724e-02 -8.075e-03 9.586e-04 5.214e-03 / CHEB/ -4.003e-02 -1.708e-02 -5.865e-03 1.281e-03 /

1901.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.8	-9.9	-2.9	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-31.9	-10.0	-3.0	+0.3

Chebyshev(coeffs=[[-24.1476,-0.202832,-0.124412,-0.0544616],[30.7767,0.0685727,0.0415732,0.0177151],[-0.10592,0.0873857,0.0503297,0.0188745],[-0.106467,0.0370002,0.0217982,0.00870849],[-0.0752553,-0.00838288,-0.00302741,0.000666887],[-0.0423819,-0.0124685,-0.00604207,-0.00113525]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.80
S298 (cal/mol*K) = 50.13
G298 (kcal/mol) = 82.87

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(111); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(111)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.415e+01 -2.028e-01 -1.244e-01 -5.446e-02 / CHEB/ 3.078e+01 6.857e-02 4.157e-02 1.772e-02 / CHEB/ -1.059e-01 8.739e-02 5.033e-02 1.887e-02 / CHEB/ -1.065e-01 3.700e-02 2.180e-02 8.708e-03 / CHEB/ -7.526e-02 -8.383e-03 -3.027e-03 6.669e-04 / CHEB/ -4.238e-02 -1.247e-02 -6.042e-03 -1.135e-03 /

1902.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.4	-7.8	-1.5	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-27.6	-7.9	-1.6	+1.4

Chebyshev(coeffs=[[-19.8468,-0.243785,-0.144587,-0.0590269],[27.4005,0.0925759,0.0537256,0.0209259],[0.024204,0.104501,0.057097,0.0184727],[-0.0878263,0.041361,0.0239485,0.009224],[-0.088613,-0.0112808,-0.00320468,0.00195373],[-0.0456266,-0.0150509,-0.00666089,-0.000591168]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 84.61
S298 (cal/mol*K) = 44.02
G298 (kcal/mol) = 71.50

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(115); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.985e+01 -2.438e-01 -1.446e-01 -5.903e-02 / CHEB/ 2.740e+01 9.258e-02 5.373e-02 2.093e-02 / CHEB/ 2.420e-02 1.045e-01 5.710e-02 1.847e-02 / CHEB/ -8.783e-02 4.136e-02 2.395e-02 9.224e-03 / CHEB/ -8.861e-02 -1.128e-02 -3.205e-03 1.954e-03 / CHEB/ -4.563e-02 -1.505e-02 -6.661e-03 -5.912e-04 /

1903.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.7	-8.6	-1.6	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-30.8	-8.7	-1.6	+1.6

Chebyshev(coeffs=[[-23.106,-0.177314,-0.110004,-0.0493342],[31.176,0.0675671,0.0417001,0.0184706],[-0.20125,0.0812092,0.0473622,0.0183516],[-0.136161,0.0307565,0.0186251,0.0079388],[-0.0843822,-0.0113155,-0.00486212,-0.000148701],[-0.044443,-0.0129061,-0.00658773,-0.00162345]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.68
S298 (cal/mol*K) = 59.30
G298 (kcal/mol) = 82.01

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H9(355); H(25), C2H2(359); C7H10(1)+H(25)(+M)=>C2H2(359)+C5H9(355)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.311e+01 -1.773e-01 -1.100e-01 -4.933e-02 / CHEB/ 3.118e+01 6.757e-02 4.170e-02 1.847e-02 / CHEB/ -2.012e-01 8.121e-02 4.736e-02 1.835e-02 / CHEB/ -1.362e-01 3.076e-02 1.863e-02 7.939e-03 / CHEB/ -8.438e-02 -1.132e-02 -4.862e-03 -1.487e-04 / CHEB/ -4.444e-02 -1.291e-02 -6.588e-03 -1.623e-03 /

1904.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.4	-6.1	-0.0	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-24.6	-6.2	-0.1	+2.9

Chebyshev(coeffs=[[-16.8643,-0.273661,-0.158705,-0.0618702],[25.6626,0.113221,0.0634395,0.023041],[0.196231,0.114023,0.0609205,0.0183232],[-0.0213997,0.0439829,0.0252857,0.00958885],[-0.0511507,-0.0125845,-0.00314042,0.00266061],[-0.0347231,-0.0164964,-0.00704189,-0.000352033]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.01
S298 (cal/mol*K) = 45.19
G298 (kcal/mol) = 64.55

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(114); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(114)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.686e+01 -2.737e-01 -1.587e-01 -6.187e-02 / CHEB/ 2.566e+01 1.132e-01 6.344e-02 2.304e-02 / CHEB/ 1.962e-01 1.140e-01 6.092e-02 1.832e-02 / CHEB/ -2.140e-02 4.398e-02 2.529e-02 9.589e-03 / CHEB/ -5.115e-02 -1.258e-02 -3.140e-03 2.661e-03 / CHEB/ -3.472e-02 -1.650e-02 -7.042e-03 -3.520e-04 /

1905.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.4	-13.2	-5.4	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-37.5	-13.2	-5.4	-1.7

Chebyshev(coeffs=[[-29.5183,-0.148606,-0.09399,-0.0438318],[34.1126,0.0571085,0.0360931,0.0167851],[-0.0839558,0.0701353,0.0421277,0.0175278],[-0.103858,0.0260696,0.0161205,0.00718254],[-0.0726105,-0.0108468,-0.00524708,-0.000928908],[-0.0394202,-0.0117269,-0.00634962,-0.00196123]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 108.35
S298 (cal/mol*K) = 47.04
G298 (kcal/mol) = 94.34

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(360); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(360)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.952e+01 -1.486e-01 -9.399e-02 -4.383e-02 / CHEB/ 3.411e+01 5.711e-02 3.609e-02 1.679e-02 / CHEB/ -8.396e-02 7.014e-02 4.213e-02 1.753e-02 / CHEB/ -1.039e-01 2.607e-02 1.612e-02 7.183e-03 / CHEB/ -7.261e-02 -1.085e-02 -5.247e-03 -9.289e-04 / CHEB/ -3.942e-02 -1.173e-02 -6.350e-03 -1.961e-03 /

1906.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.0	-12.6	-4.7	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-37.1	-12.6	-4.7	-1.0

Chebyshev(coeffs=[[-29.0415,-0.147755,-0.0934981,-0.0436453],[34.291,0.0571849,0.0361555,0.0168276],[-0.0356302,0.0697331,0.0419315,0.0174902],[-0.113974,0.0258483,0.0160013,0.00714615],[-0.0974688,-0.0108289,-0.0052581,-0.000954197],[-0.0469215,-0.0116837,-0.00634276,-0.00197663]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 108.35
S298 (cal/mol*K) = 47.04
G298 (kcal/mol) = 94.34

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(361); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(361)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.904e+01 -1.478e-01 -9.350e-02 -4.365e-02 / CHEB/ 3.429e+01 5.718e-02 3.616e-02 1.683e-02 / CHEB/ -3.563e-02 6.973e-02 4.193e-02 1.749e-02 / CHEB/ -1.140e-01 2.585e-02 1.600e-02 7.146e-03 / CHEB/ -9.747e-02 -1.083e-02 -5.258e-03 -9.542e-04 / CHEB/ -4.692e-02 -1.168e-02 -6.343e-03 -1.977e-03 /

1907.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.3	-12.6	-4.7	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-37.5	-12.7	-4.7	-0.9

Chebyshev(coeffs=[[-29.4259,-0.141531,-0.0899399,-0.0423396],[34.8288,0.0545111,0.034646,0.0162953],[-0.0684029,0.0673157,0.0407295,0.0172324],[-0.0997941,0.0249018,0.0154793,0.00697199],[-0.070929,-0.0106833,-0.00530329,-0.00109915],[-0.0385434,-0.0114065,-0.00626381,-0.00202663]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 110.55
S298 (cal/mol*K) = 45.24
G298 (kcal/mol) = 97.07

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(36); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(36)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.943e+01 -1.415e-01 -8.994e-02 -4.234e-02 / CHEB/ 3.483e+01 5.451e-02 3.465e-02 1.630e-02 / CHEB/ -6.840e-02 6.732e-02 4.073e-02 1.723e-02 / CHEB/ -9.979e-02 2.490e-02 1.548e-02 6.972e-03 / CHEB/ -7.093e-02 -1.068e-02 -5.303e-03 -1.099e-03 / CHEB/ -3.854e-02 -1.141e-02 -6.264e-03 -2.027e-03 /

1908.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-45.4	-17.4	-8.4	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-45.5	-17.5	-8.4	-4.1

Chebyshev(coeffs=[[-37.2035,-0.096404,-0.0631211,-0.0314746],[39.4261,0.0378307,0.024864,0.0124795],[-0.119238,0.048324,0.0306186,0.0143091],[-0.117542,0.0172189,0.0110769,0.00534232],[-0.0732902,-0.00913523,-0.00522123,-0.00189237],[-0.0367377,-0.00899147,-0.00537752,-0.00220637]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 125.79
S298 (cal/mol*K) = 45.63
G298 (kcal/mol) = 112.19

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(362); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(362)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.720e+01 -9.640e-02 -6.312e-02 -3.147e-02 / CHEB/ 3.943e+01 3.783e-02 2.486e-02 1.248e-02 / CHEB/ -1.192e-01 4.832e-02 3.062e-02 1.431e-02 / CHEB/ -1.175e-01 1.722e-02 1.108e-02 5.342e-03 / CHEB/ -7.329e-02 -9.135e-03 -5.221e-03 -1.892e-03 / CHEB/ -3.674e-02 -8.991e-03 -5.378e-03 -2.206e-03 /

1945.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+4.9	+5.9	+5.7
log₁₀(k(10 bar)/[mole,m,s])	-2.1	+3.9	+5.3	+5.3

Chebyshev(coeffs=[[6.23097,-2.20996,-0.147379,0.0184857],[5.7266,0.991367,-0.255169,-0.0394692],[0.241684,0.573471,0.0573732,-0.0447591],[-0.365313,0.130632,0.0883653,0.0063381],[-0.269235,-0.0332687,0.0353808,0.0147352],[-0.106586,-0.0417973,-0.00218076,0.0022276]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.66
S298 (cal/mol*K) = 22.64
G298 (kcal/mol) = 2.92

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(363); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C2H3(100)+C5H7(363)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.231e+00 -2.210e+00 -1.474e-01 1.849e-02 / CHEB/ 5.727e+00 9.914e-01 -2.552e-01 -3.947e-02 / CHEB/ 2.417e-01 5.735e-01 5.737e-02 -4.476e-02 / CHEB/ -3.653e-01 1.306e-01 8.837e-02 6.338e-03 / CHEB/ -2.692e-01 -3.327e-02 3.538e-02 1.474e-02 / CHEB/ -1.066e-01 -4.180e-02 -2.181e-03 2.228e-03 /

1946.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.8	+5.5	+6.4	+6.2
log₁₀(k(10 bar)/[mole,m,s])	-0.7	+4.3	+5.7	+5.8

Chebyshev(coeffs=[[7.77501,-2.2391,-0.103117,-0.0153831],[4.38686,0.786921,-0.271798,0.0268643],[0.488552,0.607648,-0.00578562,-0.0610551],[-0.317639,0.177786,0.0931274,-0.00853244],[-0.263161,-0.0122193,0.0477599,0.0199507],[-0.10637,-0.0406679,-0.000403349,0.0063919]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.53
S298 (cal/mol*K) = 12.93
G298 (kcal/mol) = -5.38

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(364); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(364)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.775e+00 -2.239e+00 -1.031e-01 -1.538e-02 / CHEB/ 4.387e+00 7.869e-01 -2.718e-01 2.686e-02 / CHEB/ 4.886e-01 6.076e-01 -5.786e-03 -6.106e-02 / CHEB/ -3.176e-01 1.778e-01 9.313e-02 -8.532e-03 / CHEB/ -2.632e-01 -1.222e-02 4.776e-02 1.995e-02 / CHEB/ -1.064e-01 -4.067e-02 -4.033e-04 6.392e-03 /

1947.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	+0.9	+2.5	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-0.0	+2.0	+2.4

Chebyshev(coeffs=[[0.402193,-2.09803,-0.24993,0.0315744],[8.56591,1.1259,-0.135962,-0.0840134],[0.142076,0.517006,0.0872248,-0.0207247],[-0.316435,0.0782129,0.0791445,0.0100915],[-0.233782,-0.0508213,0.026748,0.0110299],[-0.0905779,-0.0394301,-0.00544838,0.00238808]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.06
S298 (cal/mol*K) = 15.90
G298 (kcal/mol) = 18.32

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(365); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(365)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.022e-01 -2.098e+00 -2.499e-01 3.157e-02 / CHEB/ 8.566e+00 1.126e+00 -1.360e-01 -8.401e-02 / CHEB/ 1.421e-01 5.170e-01 8.722e-02 -2.072e-02 / CHEB/ -3.164e-01 7.821e-02 7.914e-02 1.009e-02 / CHEB/ -2.338e-01 -5.082e-02 2.675e-02 1.103e-02 / CHEB/ -9.058e-02 -3.943e-02 -5.448e-03 2.388e-03 /

1948.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+2.3	+3.6	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-5.0	+1.3	+3.0	+3.2

Chebyshev(coeffs=[[3.50952,-2.20443,-0.124352,0.0126679],[6.05924,0.999063,-0.255885,-0.0237818],[0.454013,0.610509,0.0590903,-0.0483352],[-0.319794,0.141728,0.0941908,0.00668975],[-0.265509,-0.0394612,0.0337196,0.0164988],[-0.113491,-0.0535757,-0.00701161,0.0015499]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.45
S298 (cal/mol*K) = 9.30
G298 (kcal/mol) = 5.68

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(366); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(366)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.510e+00 -2.204e+00 -1.244e-01 1.267e-02 / CHEB/ 6.059e+00 9.991e-01 -2.559e-01 -2.378e-02 / CHEB/ 4.540e-01 6.105e-01 5.909e-02 -4.834e-02 / CHEB/ -3.198e-01 1.417e-01 9.419e-02 6.690e-03 / CHEB/ -2.655e-01 -3.946e-02 3.372e-02 1.650e-02 / CHEB/ -1.135e-01 -5.358e-02 -7.012e-03 1.550e-03 /

1949.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-3.3	-0.9	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-14.2	-3.9	-1.2	-0.3

Chebyshev(coeffs=[[-6.46342,-1.72457,-0.391763,0.00196812],[12.7983,1.08643,0.0662304,-0.076347],[-0.0942945,0.39574,0.115751,-0.006608],[-0.289801,0.00971286,0.0561687,0.0162803],[-0.186764,-0.0598221,0.00629716,0.0123948],[-0.069808,-0.0286303,-0.010728,0.00170374]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.06
S298 (cal/mol*K) = 13.20
G298 (kcal/mol) = 36.13

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(367); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(367)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.463e+00 -1.725e+00 -3.918e-01 1.968e-03 / CHEB/ 1.280e+01 1.086e+00 6.623e-02 -7.635e-02 / CHEB/ -9.429e-02 3.957e-01 1.158e-01 -6.608e-03 / CHEB/ -2.898e-01 9.713e-03 5.617e-02 1.628e-02 / CHEB/ -1.868e-01 -5.982e-02 6.297e-03 1.239e-02 / CHEB/ -6.981e-02 -2.863e-02 -1.073e-02 1.704e-03 /

1950.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-3.3	-0.9	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-14.2	-3.9	-1.2	-0.3

H298 (kcal/mol) = 40.06
S298 (cal/mol*K) = 13.20
G298 (kcal/mol) = 36.13

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(368); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(368)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.463e+00 -1.725e+00 -3.918e-01 1.968e-03 / CHEB/ 1.280e+01 1.086e+00 6.623e-02 -7.635e-02 / CHEB/ -9.429e-02 3.957e-01 1.158e-01 -6.608e-03 / CHEB/ -2.898e-01 9.713e-03 5.617e-02 1.628e-02 / CHEB/ -1.868e-01 -5.982e-02 6.297e-03 1.239e-02 / CHEB/ -6.981e-02 -2.863e-02 -1.073e-02 1.704e-03 /

1951.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-2.3	-0.1	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-3.0	-0.5	+0.2

Chebyshev(coeffs=[[-4.73014,-1.85266,-0.357552,0.0116861],[11.6011,1.12836,0.0113124,-0.0807015],[-0.0280596,0.432914,0.109837,-0.0107171],[-0.293618,0.0257601,0.0643894,0.0137092],[-0.198591,-0.0596631,0.0126336,0.0123748],[-0.0752768,-0.0322862,-0.00961408,0.00255356]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.36
S298 (cal/mol*K) = 13.20
G298 (kcal/mol) = 31.43

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(369); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(369)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.730e+00 -1.853e+00 -3.576e-01 1.169e-02 / CHEB/ 1.160e+01 1.128e+00 1.131e-02 -8.070e-02 / CHEB/ -2.806e-02 4.329e-01 1.098e-01 -1.072e-02 / CHEB/ -2.936e-01 2.576e-02 6.439e-02 1.371e-02 / CHEB/ -1.986e-01 -5.966e-02 1.263e-02 1.237e-02 / CHEB/ -7.528e-02 -3.229e-02 -9.614e-03 2.554e-03 /

1952.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.0	-1.7	+0.6	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-2.4	+0.3	+1.1

Chebyshev(coeffs=[[-4.5233,-1.79888,-0.373169,0.00758115],[12.2106,1.11295,0.0355478,-0.0789541],[-0.0369632,0.416838,0.112745,-0.00909036],[-0.285802,0.0184504,0.0609705,0.0148084],[-0.191404,-0.0599204,0.0098669,0.0124929],[-0.0721312,-0.0307708,-0.0101458,0.00223874]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.56
S298 (cal/mol*K) = 12.78
G298 (kcal/mol) = 33.75

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(370); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(370)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.523e+00 -1.799e+00 -3.732e-01 7.581e-03 / CHEB/ 1.221e+01 1.113e+00 3.555e-02 -7.895e-02 / CHEB/ -3.696e-02 4.168e-01 1.127e-01 -9.090e-03 / CHEB/ -2.858e-01 1.845e-02 6.097e-02 1.481e-02 / CHEB/ -1.914e-01 -5.992e-02 9.867e-03 1.249e-02 / CHEB/ -7.213e-02 -3.077e-02 -1.015e-02 2.239e-03 /

1953.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+5.4	+6.0	+5.5
log₁₀(k(10 bar)/[mole,m,s])	+0.5	+4.1	+5.1	+5.0

Chebyshev(coeffs=[[8.75162,-2.28002,-0.0756974,-0.0313634],[2.87547,0.629897,-0.224027,0.0632876],[0.333948,0.59706,-0.0517305,-0.0468464],[-0.28319,0.247231,0.07298,-0.0275017],[-0.259589,0.0343344,0.0635872,0.0148667],[-0.12378,-0.0331672,0.00900013,0.0127915]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.90
S298 (cal/mol*K) = -8.48
G298 (kcal/mol) = -23.37

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(371); H(25), C7H10(371); C7H9(5)+H(25)(+M)=>C7H10(371)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.752e+00 -2.280e+00 -7.570e-02 -3.136e-02 / CHEB/ 2.875e+00 6.299e-01 -2.240e-01 6.329e-02 / CHEB/ 3.339e-01 5.971e-01 -5.173e-02 -4.685e-02 / CHEB/ -2.832e-01 2.472e-01 7.298e-02 -2.750e-02 / CHEB/ -2.596e-01 3.433e-02 6.359e-02 1.487e-02 / CHEB/ -1.238e-01 -3.317e-02 9.000e-03 1.279e-02 /

1954.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.6	+5.0	+5.5	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+3.7	+4.6	+4.3

Chebyshev(coeffs=[[8.37125,-2.30552,-0.0855696,-0.0315033],[2.74381,0.582862,-0.242074,0.061807],[0.243723,0.558507,-0.0641499,-0.0483922],[-0.319055,0.223083,0.0657365,-0.0284156],[-0.258621,0.0262453,0.0608612,0.0141884],[-0.130669,-0.0299812,0.0100407,0.0126014]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.17
S298 (cal/mol*K) = -11.82
G298 (kcal/mol) = -22.64

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(372); H(25), C7H10(372); C7H9(5)+H(25)(+M)=>C7H10(372)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.371e+00 -2.306e+00 -8.557e-02 -3.150e-02 / CHEB/ 2.744e+00 5.829e-01 -2.421e-01 6.181e-02 / CHEB/ 2.437e-01 5.585e-01 -6.415e-02 -4.839e-02 / CHEB/ -3.191e-01 2.231e-01 6.574e-02 -2.842e-02 / CHEB/ -2.586e-01 2.625e-02 6.086e-02 1.419e-02 / CHEB/ -1.307e-01 -2.998e-02 1.004e-02 1.260e-02 /

1955.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+3.8	+4.4	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+0.1	+3.3	+3.9	+3.8

Chebyshev(coeffs=[[7.38595,-1.42058,-0.165985,0.0102072],[2.90623,0.67235,-0.0862718,-0.0274568],[0.191714,0.133447,0.0296374,-0.0178764],[-0.209311,-0.043069,0.00908624,0.0100644],[-0.176683,-0.0157365,-0.0217416,0.00659582],[-0.0860739,0.0301564,-0.0123074,-0.00930409]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.41
S298 (cal/mol*K) = -4.70
G298 (kcal/mol) = -9.01

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(373); H(25), C7H10(373); C7H9(5)+H(25)(+M)=>C7H10(373)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.386e+00 -1.421e+00 -1.660e-01 1.021e-02 / CHEB/ 2.906e+00 6.723e-01 -8.627e-02 -2.746e-02 / CHEB/ 1.917e-01 1.334e-01 2.964e-02 -1.788e-02 / CHEB/ -2.093e-01 -4.307e-02 9.086e-03 1.006e-02 / CHEB/ -1.767e-01 -1.574e-02 -2.174e-02 6.596e-03 / CHEB/ -8.607e-02 3.016e-02 -1.231e-02 -9.304e-03 /

1956.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-3.1	-1.2	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-3.9	-1.6	-1.1

Chebyshev(coeffs=[[-4.43706,-1.99818,-0.299361,0.0240162],[9.96303,1.1563,-0.0686249,-0.0857886],[0.0452704,0.484395,0.0999947,-0.0150875],[-0.305464,0.0511862,0.074196,0.0114043],[-0.197302,-0.0583915,0.0210998,0.0115864],[-0.0919004,-0.0367203,-0.00768305,0.00283129]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.59
S298 (cal/mol*K) = -7.40
G298 (kcal/mol) = 8.80

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(374); H(25), C7H10(374); C7H9(5)+H(25)(+M)=>C7H10(374)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.437e+00 -1.998e+00 -2.994e-01 2.402e-02 / CHEB/ 9.963e+00 1.156e+00 -6.862e-02 -8.579e-02 / CHEB/ 4.527e-02 4.844e-01 9.999e-02 -1.509e-02 / CHEB/ -3.055e-01 5.119e-02 7.420e-02 1.140e-02 / CHEB/ -1.973e-01 -5.839e-02 2.110e-02 1.159e-02 / CHEB/ -9.190e-02 -3.672e-02 -7.683e-03 2.831e-03 /

1957.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	-1.1	+0.4	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-2.0	+0.0	+0.3

Chebyshev(coeffs=[[-1.04466,-2.55242,-0.282495,0.0158628],[7.79319,1.78774,-0.0518161,-0.0648205],[0.34769,0.494687,0.0997754,-0.0148363],[-0.336354,-0.00135862,0.062423,0.0129625],[-0.243608,-0.0680072,0.0134839,0.00669178],[-0.103706,-0.0430669,-0.00719498,-0.00066615]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.29
S298 (cal/mol*K) = -3.99
G298 (kcal/mol) = 1.48

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(375); H(25), C7H10(375); C7H9(5)+H(25)(+M)=>C7H10(375)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.045e+00 -2.552e+00 -2.825e-01 1.586e-02 / CHEB/ 7.793e+00 1.788e+00 -5.182e-02 -6.482e-02 / CHEB/ 3.477e-01 4.947e-01 9.978e-02 -1.484e-02 / CHEB/ -3.364e-01 -1.359e-03 6.242e-02 1.296e-02 / CHEB/ -2.436e-01 -6.801e-02 1.348e-02 6.692e-03 / CHEB/ -1.037e-01 -4.307e-02 -7.195e-03 -6.661e-04 /

1958.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+3.6	+4.7	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-3.5	+2.5	+4.1	+4.2

Chebyshev(coeffs=[[5.04174,-2.22521,-0.123955,0.00619768],[5.61191,0.918837,-0.274387,-0.0138892],[0.430262,0.589924,0.0386243,-0.053766],[-0.332066,0.146869,0.0913403,0.0027087],[-0.261916,-0.0258338,0.0386898,0.0168278],[-0.106173,-0.0414294,-0.00154481,0.0031388]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.21
S298 (cal/mol*K) = -1.82
G298 (kcal/mol) = -7.66

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(376); H(25), C7H10(376); C7H9(5)+H(25)(+M)=>C7H10(376)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.042e+00 -2.225e+00 -1.240e-01 6.198e-03 / CHEB/ 5.612e+00 9.188e-01 -2.744e-01 -1.389e-02 / CHEB/ 4.303e-01 5.899e-01 3.862e-02 -5.377e-02 / CHEB/ -3.321e-01 1.469e-01 9.134e-02 2.709e-03 / CHEB/ -2.619e-01 -2.583e-02 3.869e-02 1.683e-02 / CHEB/ -1.062e-01 -4.143e-02 -1.545e-03 3.139e-03 /

1959.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.0	+3.8	+4.4	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+2.6	+3.6	+3.4

Chebyshev(coeffs=[[6.80748,-2.27813,-0.0926762,-0.0257094],[3.22832,0.66178,-0.256747,0.0497892],[0.338603,0.583162,-0.0431915,-0.0555437],[-0.334827,0.206051,0.0797026,-0.0208295],[-0.278993,0.008973,0.0564403,0.0180615],[-0.122737,-0.0353645,0.0044993,0.0103374]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.06
S298 (cal/mol*K) = -3.68
G298 (kcal/mol) = -11.96

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(377); H(25), C7H10(377); C7H9(5)+H(25)(+M)=>C7H10(377)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.807e+00 -2.278e+00 -9.268e-02 -2.571e-02 / CHEB/ 3.228e+00 6.618e-01 -2.567e-01 4.979e-02 / CHEB/ 3.386e-01 5.832e-01 -4.319e-02 -5.554e-02 / CHEB/ -3.348e-01 2.061e-01 7.970e-02 -2.083e-02 / CHEB/ -2.790e-01 8.973e-03 5.644e-02 1.806e-02 / CHEB/ -1.227e-01 -3.536e-02 4.499e-03 1.034e-02 /

1960.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	-0.8	+0.5	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-8.5	-1.9	-0.1	+0.1

Chebyshev(coeffs=[[-0.103295,-2.1977,-0.163457,0.0240362],[6.67927,1.02513,-0.238696,-0.0520386],[0.328422,0.564033,0.0649192,-0.0394607],[-0.326012,0.121564,0.0867002,0.00761505],[-0.253687,-0.0369372,0.0338653,0.0136749],[-0.100211,-0.0417483,-0.00262493,0.00198908]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.94
S298 (cal/mol*K) = -6.38
G298 (kcal/mol) = 5.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(378); H(25), C7H10(378); C7H9(5)+H(25)(+M)=>C7H10(378)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.033e-01 -2.198e+00 -1.635e-01 2.404e-02 / CHEB/ 6.679e+00 1.025e+00 -2.387e-01 -5.204e-02 / CHEB/ 3.284e-01 5.640e-01 6.492e-02 -3.946e-02 / CHEB/ -3.260e-01 1.216e-01 8.670e-02 7.615e-03 / CHEB/ -2.537e-01 -3.694e-02 3.387e-02 1.367e-02 / CHEB/ -1.002e-01 -4.175e-02 -2.625e-03 1.989e-03 /

1961.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-0.4	+0.8	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-1.5	+0.2	+0.4

Chebyshev(coeffs=[[0.567957,-2.20732,-0.151089,0.0199443],[6.29777,0.999955,-0.251506,-0.0426665],[0.338173,0.571172,0.0593276,-0.043458],[-0.333511,0.128484,0.0879668,0.00667381],[-0.258198,-0.0341805,0.0350032,0.0144736],[-0.102445,-0.0418018,-0.00228138,0.00215489]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.34
S298 (cal/mol*K) = -4.45
G298 (kcal/mol) = 3.67

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(379); H(25), C7H10(379); C7H9(5)+H(25)(+M)=>C7H10(379)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.680e-01 -2.207e+00 -1.511e-01 1.994e-02 / CHEB/ 6.298e+00 1.000e+00 -2.515e-01 -4.267e-02 / CHEB/ 3.382e-01 5.712e-01 5.933e-02 -4.346e-02 / CHEB/ -3.335e-01 1.285e-01 8.797e-02 6.674e-03 / CHEB/ -2.582e-01 -3.418e-02 3.500e-02 1.447e-02 / CHEB/ -1.024e-01 -4.180e-02 -2.281e-03 2.155e-03 /

1962.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+3.6	+4.4	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-1.9	+2.6	+3.9	+4.0

Chebyshev(coeffs=[[6.51231,-2.09202,-0.0433408,-0.0145814],[3.68742,0.953729,-0.186611,0.048307],[0.491166,0.674215,-0.00240386,-0.0556271],[-0.274142,0.193744,0.0778402,-0.0189388],[-0.233813,-0.00988606,0.0416482,0.0124829],[-0.092352,-0.0418313,0.000862882,0.00635464]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.31
S298 (cal/mol*K) = -0.90
G298 (kcal/mol) = -12.04

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(380); H(25), C7H10(380); C7H9(5)+H(25)(+M)=>C7H10(380)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.512e+00 -2.092e+00 -4.334e-02 -1.458e-02 / CHEB/ 3.687e+00 9.537e-01 -1.866e-01 4.831e-02 / CHEB/ 4.912e-01 6.742e-01 -2.404e-03 -5.563e-02 / CHEB/ -2.741e-01 1.937e-01 7.784e-02 -1.894e-02 / CHEB/ -2.338e-01 -9.886e-03 4.165e-02 1.248e-02 / CHEB/ -9.235e-02 -4.183e-02 8.629e-04 6.355e-03 /

1963.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.1	+3.1	+3.4	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+1.7	+2.5	+2.2

Chebyshev(coeffs=[[6.61295,-2.32256,-0.0818235,-0.03367],[2.46851,0.540421,-0.233993,0.0670932],[0.220785,0.540991,-0.0728648,-0.0442609],[-0.31253,0.228445,0.0574187,-0.0315463],[-0.270352,0.0349586,0.0614538,0.0116274],[-0.126965,-0.0265633,0.012998,0.0132479]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.70
S298 (cal/mol*K) = -17.19
G298 (kcal/mol) = -31.57

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(381); H(25), C7H10(381); C7H9(5)+H(25)(+M)=>C7H10(381)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.613e+00 -2.323e+00 -8.182e-02 -3.367e-02 / CHEB/ 2.469e+00 5.404e-01 -2.340e-01 6.709e-02 / CHEB/ 2.208e-01 5.410e-01 -7.286e-02 -4.426e-02 / CHEB/ -3.125e-01 2.284e-01 5.742e-02 -3.155e-02 / CHEB/ -2.704e-01 3.496e-02 6.145e-02 1.163e-02 / CHEB/ -1.270e-01 -2.656e-02 1.300e-02 1.325e-02 /

1964.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-0.3	+0.9	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-1.4	+0.3	+0.5

Chebyshev(coeffs=[[1.11026,-2.21282,-0.132296,0.0102724],[5.69074,0.956895,-0.268707,-0.0238566],[0.5023,0.586668,0.049234,-0.0509895],[-0.275788,0.137499,0.0914156,0.00486975],[-0.282361,-0.0320325,0.0365296,0.0164078],[-0.0674274,-0.0427274,-0.00199604,0.0025081]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.59
S298 (cal/mol*K) = -7.40
G298 (kcal/mol) = 8.80

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(382); H(25), C7H10(382); C7H9(5)+H(25)(+M)=>C7H10(382)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.110e+00 -2.213e+00 -1.323e-01 1.027e-02 / CHEB/ 5.691e+00 9.569e-01 -2.687e-01 -2.386e-02 / CHEB/ 5.023e-01 5.867e-01 4.923e-02 -5.099e-02 / CHEB/ -2.758e-01 1.375e-01 9.142e-02 4.870e-03 / CHEB/ -2.824e-01 -3.203e-02 3.653e-02 1.641e-02 / CHEB/ -6.743e-02 -4.273e-02 -1.996e-03 2.508e-03 /

1965.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	+1.0	+3.0	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-5.8	+0.9	+2.9	+3.8

Chebyshev(coeffs=[[2.18814,-1.3947,0.139797,0.0228172],[7.32551,1.48588,-0.1323,-0.0476039],[0.56504,-0.0181473,-0.105286,0.00406603],[-0.166579,-0.15451,0.0611652,0.0418786],[-0.0392045,-0.000124132,0.0312018,-0.0210601],[-0.00305784,-0.0122859,-0.0159094,-0.01034]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.49
S298 (cal/mol*K) = -4.41
G298 (kcal/mol) = 3.81

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(383); H(25), C7H10(383); C7H9(5)+H(25)(+M)=>C7H10(383)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.188e+00 -1.395e+00 1.398e-01 2.282e-02 / CHEB/ 7.326e+00 1.486e+00 -1.323e-01 -4.760e-02 / CHEB/ 5.650e-01 -1.815e-02 -1.053e-01 4.066e-03 / CHEB/ -1.666e-01 -1.545e-01 6.117e-02 4.188e-02 / CHEB/ -3.920e-02 -1.241e-04 3.120e-02 -2.106e-02 / CHEB/ -3.058e-03 -1.229e-02 -1.591e-02 -1.034e-02 /

1966.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+3.0	+3.6	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-1.9	+1.7	+2.9	+3.1

Chebyshev(coeffs=[[6.32963,-2.24016,-0.0634642,-0.030526],[2.9834,0.729468,-0.205893,0.0608523],[0.412511,0.68181,-0.0262104,-0.0494374],[-0.227821,0.306785,0.0953894,-0.0264673],[-0.211961,0.0772312,0.0768332,0.0153825],[-0.0852552,0.00039168,0.0166171,0.0111621]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.71
S298 (cal/mol*K) = -12.00
G298 (kcal/mol) = -24.13

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(384); H(25), C7H10(384); C7H9(5)+H(25)(+M)=>C7H10(384)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.330e+00 -2.240e+00 -6.346e-02 -3.053e-02 / CHEB/ 2.983e+00 7.295e-01 -2.059e-01 6.085e-02 / CHEB/ 4.125e-01 6.818e-01 -2.621e-02 -4.944e-02 / CHEB/ -2.278e-01 3.068e-01 9.539e-02 -2.647e-02 / CHEB/ -2.120e-01 7.723e-02 7.683e-02 1.538e-02 / CHEB/ -8.526e-02 3.917e-04 1.662e-02 1.116e-02 /

1967.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.5	+0.8	+1.8	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-0.4	+1.1	+1.2

Chebyshev(coeffs=[[2.39256,-2.22806,-0.119389,0.00279401],[5.28415,0.898133,-0.276684,-0.00708865],[0.410001,0.593749,0.0325932,-0.0557437],[-0.342823,0.151061,0.092015,0.00146068],[-0.266222,-0.0237045,0.0397128,0.0173517],[-0.10842,-0.0412471,-0.0013927,0.00348641]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.94
S298 (cal/mol*K) = -6.38
G298 (kcal/mol) = 5.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(385); H(25), C7H10(385); C7H9(5)+H(25)(+M)=>C7H10(385)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.393e+00 -2.228e+00 -1.194e-01 2.794e-03 / CHEB/ 5.284e+00 8.981e-01 -2.767e-01 -7.089e-03 / CHEB/ 4.100e-01 5.937e-01 3.259e-02 -5.574e-02 / CHEB/ -3.428e-01 1.511e-01 9.201e-02 1.461e-03 / CHEB/ -2.662e-01 -2.370e-02 3.971e-02 1.735e-02 / CHEB/ -1.084e-01 -4.125e-02 -1.393e-03 3.486e-03 /

1968.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	+0.6	+2.4	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-8.3	-0.3	+1.9	+2.4

Chebyshev(coeffs=[[-0.0102319,-2.0794,-0.252827,0.0302203],[8.87541,1.14509,-0.129785,-0.0850862],[0.228108,0.51508,0.0929502,-0.0197109],[-0.287076,0.0709258,0.0795124,0.0108481],[-0.224419,-0.0547433,0.0251441,0.0111851],[-0.0778537,-0.0401283,-0.00622279,0.0024348]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.71
S298 (cal/mol*K) = 2.39
G298 (kcal/mol) = 20.00

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(386); H(25), C7H10(386); C7H9(5)+H(25)(+M)=>C7H10(386)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.023e-02 -2.079e+00 -2.528e-01 3.022e-02 / CHEB/ 8.875e+00 1.145e+00 -1.298e-01 -8.509e-02 / CHEB/ 2.281e-01 5.151e-01 9.295e-02 -1.971e-02 / CHEB/ -2.871e-01 7.093e-02 7.951e-02 1.085e-02 / CHEB/ -2.244e-01 -5.474e-02 2.514e-02 1.119e-02 / CHEB/ -7.785e-02 -4.013e-02 -6.223e-03 2.435e-03 /

1969.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+3.2	+3.8	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+3.3	+4.3	+4.2

Chebyshev(coeffs=[[5.96718,-0.332268,-0.270196,-0.0256135],[3.78617,1.3466,-0.000665853,-0.0250421],[0.215669,0.475037,0.0563531,0.0239837],[-0.344571,0.0611109,-0.0102649,-0.0116664],[-0.249073,-0.00217046,0.0161851,-0.0144221],[-0.107502,-0.0141347,0.0221126,0.00226647]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.23
S298 (cal/mol*K) = 0.09
G298 (kcal/mol) = -5.25

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(387); H(25), C7H10(387); C7H9(5)+H(25)(+M)=>C7H10(387)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.967e+00 -3.323e-01 -2.702e-01 -2.561e-02 / CHEB/ 3.786e+00 1.347e+00 -6.659e-04 -2.504e-02 / CHEB/ 2.157e-01 4.750e-01 5.635e-02 2.398e-02 / CHEB/ -3.446e-01 6.111e-02 -1.026e-02 -1.167e-02 / CHEB/ -2.491e-01 -2.170e-03 1.619e-02 -1.442e-02 / CHEB/ -1.075e-01 -1.413e-02 2.211e-02 2.266e-03 /

1970.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+4.9	+6.5	+6.7
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+4.0	+6.0	+6.4

Chebyshev(coeffs=[[4.54608,-2.11881,-0.236918,0.0325803],[8.38603,1.11489,-0.151774,-0.0822009],[0.192949,0.525489,0.0830721,-0.0226381],[-0.30633,0.0853331,0.0807267,0.00979484],[-0.235282,-0.0489938,0.0281346,0.0111676],[-0.0913194,-0.0400129,-0.00500889,0.00224315]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.28
S298 (cal/mol*K) = 9.18
G298 (kcal/mol) = -1.46

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(388); H(25), C7H10(388); C7H9(5)+H(25)(+M)=>C7H10(388)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.546e+00 -2.119e+00 -2.369e-01 3.258e-02 / CHEB/ 8.386e+00 1.115e+00 -1.518e-01 -8.220e-02 / CHEB/ 1.929e-01 5.255e-01 8.307e-02 -2.264e-02 / CHEB/ -3.063e-01 8.533e-02 8.073e-02 9.795e-03 / CHEB/ -2.353e-01 -4.899e-02 2.813e-02 1.117e-02 / CHEB/ -9.132e-02 -4.001e-02 -5.009e-03 2.243e-03 /

1971.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+5.0	+6.7	+6.9
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+4.1	+6.3	+6.7

Chebyshev(coeffs=[[4.56344,-2.09761,-0.230239,0.0349717],[8.58368,1.18438,-0.127279,-0.0808383],[0.234264,0.552711,0.100238,-0.0182248],[-0.288562,0.0821318,0.0831183,0.0125727],[-0.233707,-0.0613393,0.0219597,0.010403],[-0.0954913,-0.0503216,-0.0105757,0.000355827]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.70
S298 (cal/mol*K) = 9.56
G298 (kcal/mol) = -1.15

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(389); H(25), C7H10(389); C7H9(5)+H(25)(+M)=>C7H10(389)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.563e+00 -2.098e+00 -2.302e-01 3.497e-02 / CHEB/ 8.584e+00 1.184e+00 -1.273e-01 -8.084e-02 / CHEB/ 2.343e-01 5.527e-01 1.002e-01 -1.822e-02 / CHEB/ -2.886e-01 8.213e-02 8.312e-02 1.257e-02 / CHEB/ -2.337e-01 -6.134e-02 2.196e-02 1.040e-02 / CHEB/ -9.549e-02 -5.032e-02 -1.058e-02 3.558e-04 /

1972.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+5.3	+6.8	+7.0
log₁₀(k(10 bar)/[mole,m,s])	-3.0	+4.3	+6.3	+6.7

Chebyshev(coeffs=[[5.36496,-2.15652,-0.206512,0.0318809],[7.77813,1.08678,-0.189213,-0.0741854],[0.268368,0.541391,0.0771364,-0.0281972],[-0.308452,0.0999258,0.0831201,0.00923578],[-0.241181,-0.0445983,0.030521,0.0118071],[-0.0941403,-0.0409836,-0.00395791,0.00198697]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.82
S298 (cal/mol*K) = 7.26
G298 (kcal/mol) = -3.98

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(390); H(25), C7H10(390); C7H9(5)+H(25)(+M)=>C7H10(390)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.365e+00 -2.157e+00 -2.065e-01 3.188e-02 / CHEB/ 7.778e+00 1.087e+00 -1.892e-01 -7.419e-02 / CHEB/ 2.684e-01 5.414e-01 7.714e-02 -2.820e-02 / CHEB/ -3.085e-01 9.993e-02 8.312e-02 9.236e-03 / CHEB/ -2.412e-01 -4.460e-02 3.052e-02 1.181e-02 / CHEB/ -9.414e-02 -4.098e-02 -3.958e-03 1.987e-03 /

1973.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	+0.7	+2.0	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-0.3	+1.4	+1.6

Chebyshev(coeffs=[[1.61389,-2.20351,-0.156192,0.0217656],[6.4861,1.01092,-0.246322,-0.0467536],[0.340226,0.568147,0.0617847,-0.0417506],[-0.32848,0.125588,0.0874351,0.00709265],[-0.255751,-0.0353629,0.0345146,0.0141302],[-0.101286,-0.0417921,-0.00242191,0.00207388]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.87
S298 (cal/mol*K) = -11.17
G298 (kcal/mol) = 7.20

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(391); H(25), C7H10(391); C7H9(5)+H(25)(+M)=>C7H10(391)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.614e+00 -2.204e+00 -1.562e-01 2.177e-02 / CHEB/ 6.486e+00 1.011e+00 -2.463e-01 -4.675e-02 / CHEB/ 3.402e-01 5.681e-01 6.178e-02 -4.175e-02 / CHEB/ -3.285e-01 1.256e-01 8.744e-02 7.093e-03 / CHEB/ -2.558e-01 -3.536e-02 3.451e-02 1.413e-02 / CHEB/ -1.013e-01 -4.179e-02 -2.422e-03 2.074e-03 /

1974.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-4.2	-2.7	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-5.0	-3.1	-2.9

Chebyshev(coeffs=[[-5.12995,-2.00168,-0.302583,0.0242091],[9.13392,1.14502,-0.0668491,-0.0852393],[-0.120155,0.482467,0.0972859,-0.0152916],[-0.353974,0.052773,0.073658,0.0111059],[-0.234913,-0.0564842,0.0210873,0.0114092],[-0.0898016,-0.0366267,-0.00748464,0.00283114]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.83
S298 (cal/mol*K) = -16.90
G298 (kcal/mol) = -2.79

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(392); H(25), C7H10(392); C7H9(5)+H(25)(+M)=>C7H10(392)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.130e+00 -2.002e+00 -3.026e-01 2.421e-02 / CHEB/ 9.134e+00 1.145e+00 -6.685e-02 -8.524e-02 / CHEB/ -1.202e-01 4.825e-01 9.729e-02 -1.529e-02 / CHEB/ -3.540e-01 5.277e-02 7.366e-02 1.111e-02 / CHEB/ -2.349e-01 -5.648e-02 2.109e-02 1.141e-02 / CHEB/ -8.980e-02 -3.663e-02 -7.485e-03 2.831e-03 /

1997.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+2.7	+3.5	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+2.4	+3.6	+4.1

Chebyshev(coeffs=[[6.08285,-0.766424,-0.0890536,0.0304433],[3.29903,1.37967,-0.334844,-0.0205672],[0.143969,0.296262,0.041021,-0.0292529],[-0.0795769,0.177257,0.0265254,-0.0107739],[-0.0850625,0.103619,0.0145082,-0.00910838],[-0.0751996,0.0318111,0.0171797,-0.00586682]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.72
S298 (cal/mol*K) = 14.26
G298 (kcal/mol) = -11.96

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(393); H(25), C7H11(393); C7H10(1)+H(25)(+M)=>C7H11(393)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.083e+00 -7.664e-01 -8.905e-02 3.044e-02 / CHEB/ 3.299e+00 1.380e+00 -3.348e-01 -2.057e-02 / CHEB/ 1.440e-01 2.963e-01 4.102e-02 -2.925e-02 / CHEB/ -7.958e-02 1.773e-01 2.653e-02 -1.077e-02 / CHEB/ -8.506e-02 1.036e-01 1.451e-02 -9.108e-03 / CHEB/ -7.520e-02 3.181e-02 1.718e-02 -5.867e-03 /

1998.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+2.6	+4.9	+5.7
log₁₀(k(10 bar)/[mole,m,s])	-5.8	+1.6	+4.3	+5.5

Chebyshev(coeffs=[[1.9124,-1.76101,-0.312535,0.0211137],[9.53631,0.766939,-0.0103892,-0.0395788],[0.211743,0.363261,0.0277622,-0.0325023],[-0.0287714,0.204888,0.0386876,-0.0145249],[-0.0813334,0.0750398,0.0387095,-0.00329334],[-0.0685535,0.00194264,0.0239444,0.00446388]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.03
S298 (cal/mol*K) = 51.45
G298 (kcal/mol) = 6.70

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H7(103); H(25), C2H4(115); C7H10(1)+H(25)(+M)=>C2H4(115)+C5H7(103)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.912e+00 -1.761e+00 -3.125e-01 2.111e-02 / CHEB/ 9.536e+00 7.669e-01 -1.039e-02 -3.958e-02 / CHEB/ 2.117e-01 3.633e-01 2.776e-02 -3.250e-02 / CHEB/ -2.877e-02 2.049e-01 3.869e-02 -1.452e-02 / CHEB/ -8.133e-02 7.504e-02 3.871e-02 -3.293e-03 / CHEB/ -6.855e-02 1.943e-03 2.394e-02 4.464e-03 /

1999.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	+3.0	+4.9	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-4.0	+2.0	+4.3	+5.4

Chebyshev(coeffs=[[4.07596,-2.31259,-0.349285,0.0886816],[7.01094,1.41749,-0.00328992,-0.14333],[0.461983,0.198578,0.0693796,0.0059973],[-0.000196694,0.17154,0.0223583,0.000965585],[-0.0876352,0.103539,0.0100516,-0.0109111],[-0.0771352,0.0225862,0.0259155,-0.00801647]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.19
S298 (cal/mol*K) = 11.78
G298 (kcal/mol) = -32.70

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(394); H(25), C7H11(394); C7H10(1)+H(25)(+M)=>C7H11(394)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.076e+00 -2.313e+00 -3.493e-01 8.868e-02 / CHEB/ 7.011e+00 1.417e+00 -3.290e-03 -1.433e-01 / CHEB/ 4.620e-01 1.986e-01 6.938e-02 5.997e-03 / CHEB/ -1.967e-04 1.715e-01 2.236e-02 9.656e-04 / CHEB/ -8.764e-02 1.035e-01 1.005e-02 -1.091e-02 / CHEB/ -7.714e-02 2.259e-02 2.592e-02 -8.016e-03 /

2000.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.3	+0.2	+2.9	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-0.7	+2.3	+3.7

Chebyshev(coeffs=[[-1.70713,-1.58762,-0.321504,0.0164832],[11.4184,0.688992,0.0108926,-0.0397467],[0.168615,0.354891,0.0404246,-0.0337134],[-0.0273585,0.202359,0.0447239,-0.0125948],[-0.0733161,0.0664881,0.0394237,0.000451101],[-0.0612436,-0.00439244,0.0218004,0.0069314]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.32
S298 (cal/mol*K) = 17.80
G298 (kcal/mol) = -10.62

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(395); H(25), C7H11(395); C7H10(1)+H(25)(+M)=>C7H11(395)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.707e+00 -1.588e+00 -3.215e-01 1.648e-02 / CHEB/ 1.142e+01 6.890e-01 1.089e-02 -3.975e-02 / CHEB/ 1.686e-01 3.549e-01 4.042e-02 -3.371e-02 / CHEB/ -2.736e-02 2.024e-01 4.472e-02 -1.259e-02 / CHEB/ -7.332e-02 6.649e-02 3.942e-02 4.511e-04 / CHEB/ -6.124e-02 -4.392e-03 2.180e-02 6.931e-03 /

2001.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.2	+3.0	+4.1	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-2.4	+2.4	+4.0	+4.5

Chebyshev(coeffs=[[5.04254,-1.55735,-0.344911,0.0389416],[4.84576,1.92814,-0.230936,-0.0782529],[0.186897,0.438554,0.0942802,-0.026221],[-0.105302,0.185375,0.0523013,0.000212838],[-0.166605,0.11358,0.0277975,-0.00385094],[-0.12193,0.02715,0.0220336,-0.00181299]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.32
S298 (cal/mol*K) = 17.80
G298 (kcal/mol) = -10.62

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(396); H(25), C7H11(396); C7H10(1)+H(25)(+M)=>C7H11(396)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.043e+00 -1.557e+00 -3.449e-01 3.894e-02 / CHEB/ 4.846e+00 1.928e+00 -2.309e-01 -7.825e-02 / CHEB/ 1.869e-01 4.386e-01 9.428e-02 -2.622e-02 / CHEB/ -1.053e-01 1.854e-01 5.230e-02 2.128e-04 / CHEB/ -1.666e-01 1.136e-01 2.780e-02 -3.851e-03 / CHEB/ -1.219e-01 2.715e-02 2.203e-02 -1.813e-03 /

2002.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	+0.2	+2.8	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-0.8	+2.3	+3.6

Chebyshev(coeffs=[[-1.33731,-1.77715,-0.346716,0.0315541],[10.8977,0.817636,0.00735611,-0.0614454],[0.192557,0.368989,0.0523588,-0.0292841],[-0.0266352,0.209075,0.0442023,-0.0117333],[-0.0773325,0.0728834,0.0403089,-0.00097477],[-0.0659651,-0.00222448,0.0235611,0.0069388]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.32
S298 (cal/mol*K) = 17.80
G298 (kcal/mol) = -10.62

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(397); H(25), C7H11(397); C7H10(1)+H(25)(+M)=>C7H11(397)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.337e+00 -1.777e+00 -3.467e-01 3.155e-02 / CHEB/ 1.090e+01 8.176e-01 7.356e-03 -6.145e-02 / CHEB/ 1.926e-01 3.690e-01 5.236e-02 -2.928e-02 / CHEB/ -2.664e-02 2.091e-01 4.420e-02 -1.173e-02 / CHEB/ -7.733e-02 7.288e-02 4.031e-02 -9.748e-04 / CHEB/ -6.597e-02 -2.224e-03 2.356e-02 6.939e-03 /

2003.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.6	+2.7	+4.5	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-4.6	+1.3	+3.6	+4.6

Chebyshev(coeffs=[[3.64993,-3.06324,-0.444029,0.0296838],[6.85028,1.7856,-0.0728793,-0.0918743],[0.318229,0.360182,0.115287,-0.0132371],[-0.00621405,0.209062,0.0440638,0.0012983],[-0.0881565,0.1157,0.0367919,-0.00553243],[-0.0927149,0.010983,0.0278969,0.00111608]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.12
S298 (cal/mol*K) = 17.38
G298 (kcal/mol) = -8.29

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(398); H(25), C7H11(398); C7H10(1)+H(25)(+M)=>C7H11(398)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.650e+00 -3.063e+00 -4.440e-01 2.968e-02 / CHEB/ 6.850e+00 1.786e+00 -7.288e-02 -9.187e-02 / CHEB/ 3.182e-01 3.602e-01 1.153e-01 -1.324e-02 / CHEB/ -6.214e-03 2.091e-01 4.406e-02 1.298e-03 / CHEB/ -8.816e-02 1.157e-01 3.679e-02 -5.532e-03 / CHEB/ -9.271e-02 1.098e-02 2.790e-02 1.116e-03 /

2004.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.4	-5.5	-0.6	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-22.1	-5.9	-0.8	+1.5

Chebyshev(coeffs=[[-14.6622,-0.798832,-0.323023,-0.0358861],[22.6731,0.368952,0.114367,-0.0162275],[-0.29382,0.228192,0.0845216,-0.00101676],[-0.105958,0.127677,0.0492812,0.00366415],[-0.0604849,0.0171901,0.0186269,0.0107901],[-0.0381,-0.0231487,0.000898778,0.00835705]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 73.74
S298 (cal/mol*K) = 58.08
G298 (kcal/mol) = 56.43

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(399); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(399)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.466e+01 -7.988e-01 -3.230e-01 -3.589e-02 / CHEB/ 2.267e+01 3.690e-01 1.144e-01 -1.623e-02 / CHEB/ -2.938e-01 2.282e-01 8.452e-02 -1.017e-03 / CHEB/ -1.060e-01 1.277e-01 4.928e-02 3.664e-03 / CHEB/ -6.048e-02 1.719e-02 1.863e-02 1.079e-02 / CHEB/ -3.810e-02 -2.315e-02 8.988e-04 8.357e-03 /

2005.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.8	-6.9	-0.9	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-26.3	-7.2	-1.1	+1.8

Chebyshev(coeffs=[[-18.7743,-0.601262,-0.284502,-0.0602465],[26.9814,0.275713,0.112293,0.00621704],[-0.253995,0.177241,0.077886,0.00974987],[-0.0944375,0.102362,0.0450213,0.00694908],[-0.0526774,0.0096444,0.0118367,0.008886],[-0.0324981,-0.0221388,-0.00347493,0.00548957]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.11
S298 (cal/mol*K) = 60.90
G298 (kcal/mol) = 68.96

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H7(103); H(25), C2H4(72); C7H10(1)+H(25)(+M)=>C5H7(103)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.877e+01 -6.013e-01 -2.845e-01 -6.025e-02 / CHEB/ 2.698e+01 2.757e-01 1.123e-01 6.217e-03 / CHEB/ -2.540e-01 1.772e-01 7.789e-02 9.750e-03 / CHEB/ -9.444e-02 1.024e-01 4.502e-02 6.949e-03 / CHEB/ -5.268e-02 9.644e-03 1.184e-02 8.886e-03 / CHEB/ -3.250e-02 -2.214e-02 -3.475e-03 5.490e-03 /

2006.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.2	-12.1	-5.3	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-33.6	-12.3	-5.4	-2.1

Chebyshev(coeffs=[[-25.8029,-0.49786,-0.253477,-0.0682136],[29.9688,0.226432,0.103778,0.0162737],[-0.132151,0.150069,0.0715594,0.0141432],[-0.0582626,0.0891288,0.0419278,0.00843669],[-0.0381409,0.00666288,0.00866751,0.00722332],[-0.0254516,-0.0209481,-0.00525775,0.0035696]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 95.78
S298 (cal/mol*K) = 48.63
G298 (kcal/mol) = 81.29

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(87); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(87)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.580e+01 -4.979e-01 -2.535e-01 -6.821e-02 / CHEB/ 2.997e+01 2.264e-01 1.038e-01 1.627e-02 / CHEB/ -1.322e-01 1.501e-01 7.156e-02 1.414e-02 / CHEB/ -5.826e-02 8.913e-02 4.193e-02 8.437e-03 / CHEB/ -3.814e-02 6.663e-03 8.668e-03 7.223e-03 / CHEB/ -2.545e-02 -2.095e-02 -5.258e-03 3.570e-03 /

2007.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.4	-11.2	-4.5	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-32.8	-11.5	-4.6	-1.4

Chebyshev(coeffs=[[-25.0744,-0.558892,-0.29325,-0.0878807],[30.0291,0.252104,0.121061,0.0251748],[-0.17503,0.151514,0.0730683,0.0154623],[-0.0775835,0.104235,0.0509302,0.0122076],[-0.0437414,0.0147655,0.0134795,0.00923223],[-0.0308135,-0.0208358,-0.00531144,0.003419]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 95.78
S298 (cal/mol*K) = 48.63
G298 (kcal/mol) = 81.29

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(85); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(85)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.507e+01 -5.589e-01 -2.933e-01 -8.788e-02 / CHEB/ 3.003e+01 2.521e-01 1.211e-01 2.517e-02 / CHEB/ -1.750e-01 1.515e-01 7.307e-02 1.546e-02 / CHEB/ -7.758e-02 1.042e-01 5.093e-02 1.221e-02 / CHEB/ -4.374e-02 1.477e-02 1.348e-02 9.232e-03 / CHEB/ -3.081e-02 -2.084e-02 -5.311e-03 3.419e-03 /

2008.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.2	-12.1	-5.3	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-33.6	-12.3	-5.4	-2.1

H298 (kcal/mol) = 95.78
S298 (cal/mol*K) = 48.63
G298 (kcal/mol) = 81.29

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(86); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(86)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.580e+01 -4.979e-01 -2.535e-01 -6.821e-02 / CHEB/ 2.997e+01 2.264e-01 1.038e-01 1.627e-02 / CHEB/ -1.322e-01 1.501e-01 7.156e-02 1.414e-02 / CHEB/ -5.826e-02 8.913e-02 4.193e-02 8.437e-03 / CHEB/ -3.814e-02 6.663e-03 8.668e-03 7.223e-03 / CHEB/ -2.545e-02 -2.095e-02 -5.258e-03 3.570e-03 /

2009.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.1	-11.5	-4.6	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-33.5	-11.8	-4.7	-1.2

Chebyshev(coeffs=[[-25.7148,-0.473432,-0.245133,-0.0694219],[30.694,0.214536,0.100927,0.0182178],[-0.110028,0.143495,0.0697171,0.0149693],[-0.0517915,0.0859514,0.0410861,0.00876083],[-0.0353951,0.00607613,0.00798155,0.00678822],[-0.0240216,-0.0205628,-0.00559983,0.0030974]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.98
S298 (cal/mol*K) = 48.21
G298 (kcal/mol) = 83.62

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(88); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(88)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.571e+01 -4.734e-01 -2.451e-01 -6.942e-02 / CHEB/ 3.069e+01 2.145e-01 1.009e-01 1.822e-02 / CHEB/ -1.100e-01 1.435e-01 6.972e-02 1.497e-02 / CHEB/ -5.179e-02 8.595e-02 4.109e-02 8.761e-03 / CHEB/ -3.540e-02 6.076e-03 7.982e-03 6.788e-03 / CHEB/ -2.402e-02 -2.056e-02 -5.600e-03 3.097e-03 /

2010.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.0	-7.1	-1.4	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-25.6	-7.4	-1.6	+1.2

Chebyshev(coeffs=[[-17.9744,-0.688488,-0.316782,-0.0667849],[25.4127,0.316415,0.112561,-0.00560608],[-0.124168,0.189007,0.083599,0.0131743],[-0.0699803,0.109234,0.0517674,0.0129919],[-0.0582461,0.013052,0.0166828,0.0120425],[-0.0427137,-0.02103,-0.00242615,0.00538048]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.20
S298 (cal/mol*K) = 52.44
G298 (kcal/mol) = 56.57

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(400); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>CH2(T)(82)+C6H9(400)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.797e+01 -6.885e-01 -3.168e-01 -6.678e-02 / CHEB/ 2.541e+01 3.164e-01 1.126e-01 -5.606e-03 / CHEB/ -1.242e-01 1.890e-01 8.360e-02 1.317e-02 / CHEB/ -6.998e-02 1.092e-01 5.177e-02 1.299e-02 / CHEB/ -5.825e-02 1.305e-02 1.668e-02 1.204e-02 / CHEB/ -4.271e-02 -2.103e-02 -2.426e-03 5.380e-03 /

2011.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.4	-13.0	-6.0	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-34.8	-13.2	-6.1	-2.7

Chebyshev(coeffs=[[-26.9704,-0.480207,-0.247155,-0.0687558],[30.4423,0.223071,0.103901,0.0178571],[-0.0839293,0.145072,0.070429,0.0150804],[-0.0378964,0.0854659,0.0408923,0.00881056],[-0.0257379,0.00517065,0.00774556,0.00690034],[-0.0211661,-0.0210562,-0.00576882,0.0031084]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.98
S298 (cal/mol*K) = 45.59
G298 (kcal/mol) = 83.40

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(401); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(401)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.697e+01 -4.802e-01 -2.472e-01 -6.876e-02 / CHEB/ 3.044e+01 2.231e-01 1.039e-01 1.786e-02 / CHEB/ -8.393e-02 1.451e-01 7.043e-02 1.508e-02 / CHEB/ -3.790e-02 8.547e-02 4.089e-02 8.811e-03 / CHEB/ -2.574e-02 5.171e-03 7.746e-03 6.900e-03 / CHEB/ -2.117e-02 -2.106e-02 -5.769e-03 3.108e-03 /

2044.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-2.1	+1.4	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-2.4	+1.3	+3.1

Chebyshev(coeffs=[[-4.84383,-0.912709,-0.351336,-0.049316],[13.3721,0.661685,0.201763,-0.00431467],[0.516949,0.159044,0.0709607,0.00628162],[0.104516,0.0515428,0.0254608,0.00636603],[-0.00936958,-0.00428726,0.0108491,0.0099505],[-0.0243519,-0.0200153,-0.000701385,0.00654323]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.49
S298 (cal/mol*K) = 40.42
G298 (kcal/mol) = 19.45

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(402); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(402)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.844e+00 -9.127e-01 -3.513e-01 -4.932e-02 / CHEB/ 1.337e+01 6.617e-01 2.018e-01 -4.315e-03 / CHEB/ 5.169e-01 1.590e-01 7.096e-02 6.282e-03 / CHEB/ 1.045e-01 5.154e-02 2.546e-02 6.366e-03 / CHEB/ -9.370e-03 -4.287e-03 1.085e-02 9.950e-03 / CHEB/ -2.435e-02 -2.002e-02 -7.014e-04 6.543e-03 /

2045.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	-0.8	+2.0	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-1.2	+1.8	+3.4

Chebyshev(coeffs=[[-1.69056,-1.32706,-0.379477,-0.0285499],[10.413,1.03189,0.196356,-0.0275681],[0.552448,0.201893,0.0816288,-0.00131492],[0.0975643,0.0380219,0.0272375,0.00606712],[-0.0120267,-0.00646429,0.0163645,0.010246],[-0.0241272,-0.0201939,0.00405526,0.0091625]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.79
S298 (cal/mol*K) = 17.40
G298 (kcal/mol) = -10.97

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(403); H(25), C7H11(403); C7H10(1)+H(25)(+M)=>C7H11(403)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.691e+00 -1.327e+00 -3.795e-01 -2.855e-02 / CHEB/ 1.041e+01 1.032e+00 1.964e-01 -2.757e-02 / CHEB/ 5.524e-01 2.019e-01 8.163e-02 -1.315e-03 / CHEB/ 9.756e-02 3.802e-02 2.724e-02 6.067e-03 / CHEB/ -1.203e-02 -6.464e-03 1.636e-02 1.025e-02 / CHEB/ -2.413e-02 -2.019e-02 4.055e-03 9.163e-03 /

2046.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-2.9	+0.4	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-3.2	+0.3	+2.0

Chebyshev(coeffs=[[-5.28369,-0.966854,-0.360938,-0.0470955],[12.7789,0.692267,0.201365,-0.00776007],[0.426865,0.171816,0.0725432,0.00414],[0.0871966,0.0538552,0.025974,0.00571248],[-0.00721759,-0.00398134,0.0121815,0.0102417],[-0.0244317,-0.0200479,0.000511497,0.00730144]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.79
S298 (cal/mol*K) = 17.40
G298 (kcal/mol) = -10.97

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(404); H(25), C7H11(404); C7H10(1)+H(25)(+M)=>C7H11(404)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.284e+00 -9.669e-01 -3.609e-01 -4.710e-02 / CHEB/ 1.278e+01 6.923e-01 2.014e-01 -7.760e-03 / CHEB/ 4.269e-01 1.718e-01 7.254e-02 4.140e-03 / CHEB/ 8.720e-02 5.386e-02 2.597e-02 5.712e-03 / CHEB/ -7.218e-03 -3.981e-03 1.218e-02 1.024e-02 / CHEB/ -2.443e-02 -2.005e-02 5.115e-04 7.301e-03 /

2047.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+2.4	+3.6	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-3.0	+1.6	+3.3	+4.0

Chebyshev(coeffs=[[4.87921,-2.35557,-0.305859,-0.018304],[4.79854,1.74789,0.0303649,-0.0406606],[0.358759,0.409126,0.0757424,-0.0103858],[-0.0278169,0.0580151,0.040575,0.00350045],[-0.0410346,-0.0025944,0.0266125,0.00135959],[-0.0264422,-0.0168903,0.0199284,0.00562991]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.23
S298 (cal/mol*K) = 14.40
G298 (kcal/mol) = -33.52

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(405); H(25), C7H11(405); C7H10(1)+H(25)(+M)=>C7H11(405)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.879e+00 -2.356e+00 -3.059e-01 -1.830e-02 / CHEB/ 4.799e+00 1.748e+00 3.036e-02 -4.066e-02 / CHEB/ 3.588e-01 4.091e-01 7.574e-02 -1.039e-02 / CHEB/ -2.782e-02 5.802e-02 4.058e-02 3.500e-03 / CHEB/ -4.103e-02 -2.594e-03 2.661e-02 1.360e-03 / CHEB/ -2.644e-02 -1.689e-02 1.993e-02 5.630e-03 /

2048.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-2.0	+0.6	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-2.4	+0.5	+1.9

Chebyshev(coeffs=[[-2.46827,-1.42699,-0.38055,-0.0257771],[9.75847,1.10593,0.185668,-0.0308572],[0.506037,0.218752,0.0825572,-0.00365929],[0.0798638,0.0373131,0.0286696,0.00537648],[-0.0173647,-0.00606797,0.0180395,0.00980177],[-0.0257802,-0.0197548,0.00577224,0.00965251]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.79
S298 (cal/mol*K) = 17.40
G298 (kcal/mol) = -10.97

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(406); H(25), C7H11(406); C7H10(1)+H(25)(+M)=>C7H11(406)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.468e+00 -1.427e+00 -3.805e-01 -2.578e-02 / CHEB/ 9.758e+00 1.106e+00 1.857e-01 -3.086e-02 / CHEB/ 5.060e-01 2.188e-01 8.256e-02 -3.659e-03 / CHEB/ 7.986e-02 3.731e-02 2.867e-02 5.376e-03 / CHEB/ -1.736e-02 -6.068e-03 1.804e-02 9.802e-03 / CHEB/ -2.578e-02 -1.975e-02 5.772e-03 9.653e-03 /

2049.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.9	+3.0	+4.2	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-2.8	+2.1	+3.7	+4.6

Chebyshev(coeffs=[[4.9603,-2.96764,-0.576813,-0.0623441],[5.33468,2.41838,0.0773704,-0.0667434],[0.293054,0.119358,0.199192,0.017508],[-0.0280906,-0.00649783,0.0779387,0.0215012],[-0.00379621,0.0684515,0.0202567,0.0109413],[-0.00762522,0.0509152,0.00653095,0.00259543]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.59
S298 (cal/mol*K) = 16.98
G298 (kcal/mol) = -8.64

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(407); H(25), C7H11(407); C7H10(1)+H(25)(+M)=>C7H11(407)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.960e+00 -2.968e+00 -5.768e-01 -6.234e-02 / CHEB/ 5.335e+00 2.418e+00 7.737e-02 -6.674e-02 / CHEB/ 2.931e-01 1.194e-01 1.992e-01 1.751e-02 / CHEB/ -2.809e-02 -6.498e-03 7.794e-02 2.150e-02 / CHEB/ -3.796e-03 6.845e-02 2.026e-02 1.094e-02 / CHEB/ -7.625e-03 5.092e-02 6.531e-03 2.595e-03 /

2050.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	+1.7	+4.6	+5.8
log₁₀(k(10 bar)/[mole,m,s])	-9.0	+0.9	+4.2	+5.7

Chebyshev(coeffs=[[-1.44838,-1.62775,-0.681333,-0.112372],[12.9781,0.899375,0.257391,-0.0390311],[0.283124,0.273888,0.151919,0.0374646],[-0.027085,0.163544,0.0723521,0.0136356],[-0.0869554,0.0451742,0.0307612,0.0137219],[-0.0743181,-0.0201171,0.00129093,0.00857225]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.73
S298 (cal/mol*K) = 48.55
G298 (kcal/mol) = 20.26

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H6(408); H(25), C3H5(98); C7H10(1)+H(25)(+M)=>C3H5(98)+C4H6(408)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.448e+00 -1.628e+00 -6.813e-01 -1.124e-01 / CHEB/ 1.298e+01 8.994e-01 2.574e-01 -3.903e-02 / CHEB/ 2.831e-01 2.739e-01 1.519e-01 3.746e-02 / CHEB/ -2.709e-02 1.635e-01 7.235e-02 1.364e-02 / CHEB/ -8.696e-02 4.517e-02 3.076e-02 1.372e-02 / CHEB/ -7.432e-02 -2.012e-02 1.291e-03 8.572e-03 /

2051.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.6	-7.2	-2.1	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-21.9	-7.4	-2.2	+0.4

Chebyshev(coeffs=[[-14.4036,-0.386509,-0.209289,-0.0685887],[20.388,0.219027,0.10822,0.0254625],[0.326702,0.088913,0.0473899,0.0143543],[0.0988866,0.0526873,0.0270125,0.00757833],[0.0301474,0.00110694,0.00418759,0.00463738],[-0.0117587,-0.0150652,-0.00510517,0.00121238]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.97
S298 (cal/mol*K) = 40.06
G298 (kcal/mol) = 47.04

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(108); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(108)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.440e+01 -3.865e-01 -2.093e-01 -6.859e-02 / CHEB/ 2.039e+01 2.190e-01 1.082e-01 2.546e-02 / CHEB/ 3.267e-01 8.891e-02 4.739e-02 1.435e-02 / CHEB/ 9.889e-02 5.269e-02 2.701e-02 7.578e-03 / CHEB/ 3.015e-02 1.107e-03 4.188e-03 4.637e-03 / CHEB/ -1.176e-02 -1.507e-02 -5.105e-03 1.212e-03 /

2052.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.6	-11.2	-4.6	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-30.8	-11.3	-4.6	-1.3

Chebyshev(coeffs=[[-22.8638,-0.209035,-0.124364,-0.0512412],[27.2495,0.100386,0.0558562,0.0193422],[0.291776,0.0525743,0.0302466,0.0114086],[0.0356794,0.0389131,0.0224499,0.00858302],[-0.0251771,0.0022437,0.00302511,0.00276863],[-0.0252233,-0.010551,-0.00485973,-0.000667065]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.41
S298 (cal/mol*K) = 44.44
G298 (kcal/mol) = 69.17

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(409); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(409)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.286e+01 -2.090e-01 -1.244e-01 -5.124e-02 / CHEB/ 2.725e+01 1.004e-01 5.586e-02 1.934e-02 / CHEB/ 2.918e-01 5.257e-02 3.025e-02 1.141e-02 / CHEB/ 3.568e-02 3.891e-02 2.245e-02 8.583e-03 / CHEB/ -2.518e-02 2.244e-03 3.025e-03 2.769e-03 / CHEB/ -2.522e-02 -1.055e-02 -4.860e-03 -6.671e-04 /

2053.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.5	-12.0	-5.5	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-31.6	-12.1	-5.5	-2.2

Chebyshev(coeffs=[[-23.7024,-0.209524,-0.124631,-0.0513312],[27.1996,0.100621,0.055977,0.0193771],[0.28831,0.0526983,0.0303118,0.0114271],[0.0346915,0.0389953,0.0224859,0.00858609],[-0.025509,0.00225546,0.0030337,0.00277311],[-0.0253518,-0.0105678,-0.00486293,-0.000662379]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.41
S298 (cal/mol*K) = 44.44
G298 (kcal/mol) = 69.17

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(110); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(110)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.370e+01 -2.095e-01 -1.246e-01 -5.133e-02 / CHEB/ 2.720e+01 1.006e-01 5.598e-02 1.938e-02 / CHEB/ 2.883e-01 5.270e-02 3.031e-02 1.143e-02 / CHEB/ 3.469e-02 3.900e-02 2.249e-02 8.586e-03 / CHEB/ -2.551e-02 2.255e-03 3.034e-03 2.773e-03 / CHEB/ -2.535e-02 -1.057e-02 -4.863e-03 -6.624e-04 /

2054.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.1	-11.6	-4.9	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-31.2	-11.7	-5.0	-1.7

Chebyshev(coeffs=[[-23.2863,-0.209524,-0.124631,-0.0513312],[27.3064,0.100621,0.055977,0.0193771],[0.311908,0.0526983,0.0303118,0.0114271],[0.0416393,0.0389953,0.0224859,0.00858609],[-0.0232085,0.00225546,0.0030337,0.00277311],[-0.0245414,-0.0105678,-0.00486293,-0.000662379]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.41
S298 (cal/mol*K) = 44.44
G298 (kcal/mol) = 69.17

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(410); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(410)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.329e+01 -2.095e-01 -1.246e-01 -5.133e-02 / CHEB/ 2.731e+01 1.006e-01 5.598e-02 1.938e-02 / CHEB/ 3.119e-01 5.270e-02 3.031e-02 1.143e-02 / CHEB/ 4.164e-02 3.900e-02 2.249e-02 8.586e-03 / CHEB/ -2.321e-02 2.255e-03 3.034e-03 2.773e-03 / CHEB/ -2.454e-02 -1.057e-02 -4.863e-03 -6.624e-04 /

2055.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-2.7	+0.4	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-3.5	+0.0	+1.6

Chebyshev(coeffs=[[-4.723,-1.33516,-0.395486,-0.0216973],[11.8454,0.666922,0.161355,-0.00672227],[0.629828,0.207384,0.0360434,-0.0114683],[0.0156359,0.177816,0.012297,-0.0171898],[-0.101126,0.0869563,0.0313063,-0.00411825],[-0.0597552,-0.00178844,0.0264431,0.0067222]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.17
S298 (cal/mol*K) = 14.33
G298 (kcal/mol) = -4.44

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(411); H(25), C7H11(411); C7H10(1)+H(25)(+M)=>C7H11(411)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.723e+00 -1.335e+00 -3.955e-01 -2.170e-02 / CHEB/ 1.185e+01 6.669e-01 1.614e-01 -6.722e-03 / CHEB/ 6.298e-01 2.074e-01 3.604e-02 -1.147e-02 / CHEB/ 1.564e-02 1.778e-01 1.230e-02 -1.719e-02 / CHEB/ -1.011e-01 8.696e-02 3.131e-02 -4.118e-03 / CHEB/ -5.976e-02 -1.788e-03 2.644e-02 6.722e-03 /

2056.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.5	+3.8	+5.0	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-2.8	+3.4	+5.3	+5.8

Chebyshev(coeffs=[[4.39461,-1.33316,-0.720805,-0.0321451],[6.60685,2.15593,0.0742892,-0.113757],[0.168737,0.397618,0.174897,-0.00565692],[-0.145471,0.166086,0.0968656,0.0102269],[-0.150408,0.0500291,0.0406801,0.0133936],[-0.0889752,-0.0172432,0.00821997,0.0090213]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.74
S298 (cal/mol*K) = 18.83
G298 (kcal/mol) = -18.35

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(412); H(25), C7H11(412); C7H10(1)+H(25)(+M)=>C7H11(412)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.395e+00 -1.333e+00 -7.208e-01 -3.215e-02 / CHEB/ 6.607e+00 2.156e+00 7.429e-02 -1.138e-01 / CHEB/ 1.687e-01 3.976e-01 1.749e-01 -5.657e-03 / CHEB/ -1.455e-01 1.661e-01 9.687e-02 1.023e-02 / CHEB/ -1.504e-01 5.003e-02 4.068e-02 1.339e-02 / CHEB/ -8.898e-02 -1.724e-02 8.220e-03 9.021e-03 /

2057.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.9	-14.4	-6.3	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-39.0	-14.5	-6.3	-2.3

Chebyshev(coeffs=[[-30.7446,-0.137639,-0.0861957,-0.0393876],[34.3237,0.0731843,0.0443597,0.0188074],[0.171923,0.0342247,0.0202311,0.0081145],[-0.00719811,0.0220622,0.0138144,0.00633116],[-0.0386254,-0.0016191,0.000259878,0.00131735],[-0.0277122,-0.00756299,-0.00406355,-0.00122566]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.84
S298 (cal/mol*K) = 55.02
G298 (kcal/mol) = 81.45

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(413); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>CH2(T)(82)+C6H9(413)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.074e+01 -1.376e-01 -8.620e-02 -3.939e-02 / CHEB/ 3.432e+01 7.318e-02 4.436e-02 1.881e-02 / CHEB/ 1.719e-01 3.422e-02 2.023e-02 8.115e-03 / CHEB/ -7.198e-03 2.206e-02 1.381e-02 6.331e-03 / CHEB/ -3.863e-02 -1.619e-03 2.599e-04 1.317e-03 / CHEB/ -2.771e-02 -7.563e-03 -4.064e-03 -1.226e-03 /

2058.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.5	+2.5	+3.7	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+1.7	+3.3	+4.0

Chebyshev(coeffs=[[4.81935,-2.33105,-0.31356,-0.0180042],[4.97238,1.71088,0.0328299,-0.0425122],[0.321931,0.397197,0.0737112,-0.0100632],[-0.0475955,0.0601966,0.0391119,0.00242715],[-0.0514438,0.00120977,0.0266764,0.00109126],[-0.03164,-0.014417,0.0201788,0.00572224]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.39
S298 (cal/mol*K) = 8.64
G298 (kcal/mol) = -10.96

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(414); H(25), C7H11(414); C7H10(1)+H(25)(+M)=>C7H11(414)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.819e+00 -2.331e+00 -3.136e-01 -1.800e-02 / CHEB/ 4.972e+00 1.711e+00 3.283e-02 -4.251e-02 / CHEB/ 3.219e-01 3.972e-01 7.371e-02 -1.006e-02 / CHEB/ -4.760e-02 6.020e-02 3.911e-02 2.427e-03 / CHEB/ -5.144e-02 1.210e-03 2.668e-02 1.091e-03 / CHEB/ -3.164e-02 -1.442e-02 2.018e-02 5.722e-03 /

2059.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.3	+4.5	+6.3	+7.0
log₁₀(k(10 bar)/[mole,m,s])	-1.8	+3.6	+5.8	+6.8

Chebyshev(coeffs=[[6.32197,-2.30926,-0.368215,-0.0233609],[5.83578,1.55446,-0.023122,-0.0557227],[0.621499,0.294536,0.0500564,-0.0210438],[0.0723609,0.0379379,0.047556,-0.007708],[-0.0370981,0.0243181,0.0450655,-0.000374962],[-0.0583437,0.018876,0.0302817,0.0103698]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.17
S298 (cal/mol*K) = 44.89
G298 (kcal/mol) = -21.54

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H6(415); H(25), C3H5(98); C7H10(1)+H(25)(+M)=>C3H5(98)+C4H6(415)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.322e+00 -2.309e+00 -3.682e-01 -2.336e-02 / CHEB/ 5.836e+00 1.554e+00 -2.312e-02 -5.572e-02 / CHEB/ 6.215e-01 2.945e-01 5.006e-02 -2.104e-02 / CHEB/ 7.236e-02 3.794e-02 4.756e-02 -7.708e-03 / CHEB/ -3.710e-02 2.432e-02 4.507e-02 -3.750e-04 / CHEB/ -5.834e-02 1.888e-02 3.028e-02 1.037e-02 /

2060.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+2.7	+4.3	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+1.7	+3.7	+4.6

Chebyshev(coeffs=[[4.92403,-2.46778,-0.364436,-0.0254698],[5.11156,1.59133,-0.0613133,-0.056275],[0.579652,0.344318,0.0432016,-0.0259462],[0.0710166,0.0580127,0.0541662,-0.00627563],[-0.0341017,0.0302288,0.0523026,-0.000200525],[-0.0580608,0.0213909,0.0358956,0.0103807]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.75
S298 (cal/mol*K) = 10.01
G298 (kcal/mol) = -33.73

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(416); H(25), C7H11(416); C7H10(1)+H(25)(+M)=>C7H11(416)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.924e+00 -2.468e+00 -3.644e-01 -2.547e-02 / CHEB/ 5.112e+00 1.591e+00 -6.131e-02 -5.627e-02 / CHEB/ 5.797e-01 3.443e-01 4.320e-02 -2.595e-02 / CHEB/ 7.102e-02 5.801e-02 5.417e-02 -6.276e-03 / CHEB/ -3.410e-02 3.023e-02 5.230e-02 -2.005e-04 / CHEB/ -5.806e-02 2.139e-02 3.590e-02 1.038e-02 /

2061.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.6	-14.0	-5.8	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-38.7	-14.1	-5.9	-1.8

Chebyshev(coeffs=[[-30.4678,-0.136248,-0.0854637,-0.0391824],[34.5221,0.0725838,0.0441214,0.0188288],[0.173105,0.0339626,0.0200983,0.00808078],[-0.00696405,0.0217084,0.013611,0.00625442],[-0.0385339,-0.00172311,0.000175416,0.00126272],[-0.0276305,-0.00750304,-0.00404419,-0.00123295]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.68
S298 (cal/mol*K) = 58.06
G298 (kcal/mol) = 81.38

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(417); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(417)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.047e+01 -1.362e-01 -8.546e-02 -3.918e-02 / CHEB/ 3.452e+01 7.258e-02 4.412e-02 1.883e-02 / CHEB/ 1.731e-01 3.396e-02 2.010e-02 8.081e-03 / CHEB/ -6.964e-03 2.171e-02 1.361e-02 6.254e-03 / CHEB/ -3.853e-02 -1.723e-03 1.754e-04 1.263e-03 / CHEB/ -2.763e-02 -7.503e-03 -4.044e-03 -1.233e-03 /

2086.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.3	+4.1	+4.3	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+3.1	+3.9	+4.2	+4.2

Chebyshev(coeffs=[[9.22966,-0.397926,-0.230045,-0.0976975],[0.959338,0.236611,0.127422,0.0501359],[0.107239,0.0730695,0.0480737,0.0227222],[-0.000458703,0.060187,0.0340315,0.0126502],[-0.0376122,0.00358101,0.00285761,0.00212459],[-0.0341146,-0.0165632,-0.00915778,-0.00306308]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -42.37
S298 (cal/mol*K) = -31.47
G298 (kcal/mol) = -32.99

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(418); H(25), C7H11(418); C7H10(18)+H(25)(+M)=>C7H11(418)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.230e+00 -3.979e-01 -2.300e-01 -9.770e-02 / CHEB/ 9.593e-01 2.366e-01 1.274e-01 5.014e-02 / CHEB/ 1.072e-01 7.307e-02 4.807e-02 2.272e-02 / CHEB/ -4.587e-04 6.019e-02 3.403e-02 1.265e-02 / CHEB/ -3.761e-02 3.581e-03 2.858e-03 2.125e-03 / CHEB/ -3.411e-02 -1.656e-02 -9.158e-03 -3.063e-03 /

2087.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.6	+5.2	+6.1	+6.7
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+4.8	+5.9	+6.6

Chebyshev(coeffs=[[9.82959,-0.956827,-0.240679,0.00202236],[2.09198,0.666909,0.0412398,-0.0520935],[0.516755,0.138559,0.0927215,-0.00417583],[0.14266,0.0488281,0.0381663,0.0157445],[0.0414677,0.0279342,0.0109203,0.00683246],[0.00530045,0.00864508,0.00777315,0.00315632]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.82
S298 (cal/mol*K) = -6.64
G298 (kcal/mol) = -32.85

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(92); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(92)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.830e+00 -9.568e-01 -2.407e-01 2.022e-03 / CHEB/ 2.092e+00 6.669e-01 4.124e-02 -5.209e-02 / CHEB/ 5.168e-01 1.386e-01 9.272e-02 -4.176e-03 / CHEB/ 1.427e-01 4.883e-02 3.817e-02 1.574e-02 / CHEB/ 4.147e-02 2.793e-02 1.092e-02 6.832e-03 / CHEB/ 5.300e-03 8.645e-03 7.773e-03 3.156e-03 /

2088.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.3	+4.9	+5.7	+6.0
log₁₀(k(10 bar)/[mole,m,s])	+2.6	+4.5	+5.5	+6.0

Chebyshev(coeffs=[[9.56337,-0.938374,-0.240085,-0.0151672],[1.87063,0.553083,0.0179636,-0.0279342],[0.430045,0.165129,0.0763777,-0.0180705],[0.0963599,0.0893149,0.0527029,0.00980528],[-0.00562624,0.0178496,0.0109845,0.00753884],[-0.0237494,-0.00736543,0.000499651,0.00207448]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -33.54
S298 (cal/mol*K) = -4.29
G298 (kcal/mol) = -32.27

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(419); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(419)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.563e+00 -9.384e-01 -2.401e-01 -1.517e-02 / CHEB/ 1.871e+00 5.531e-01 1.796e-02 -2.793e-02 / CHEB/ 4.300e-01 1.651e-01 7.638e-02 -1.807e-02 / CHEB/ 9.636e-02 8.931e-02 5.270e-02 9.805e-03 / CHEB/ -5.626e-03 1.785e-02 1.098e-02 7.539e-03 / CHEB/ -2.375e-02 -7.365e-03 4.997e-04 2.074e-03 /

2089.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+4.8	+5.1	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+3.6	+4.6	+5.1	+5.2

Chebyshev(coeffs=[[9.87773,-0.391518,-0.226751,-0.0965266],[1.1714,0.239247,0.129255,0.0509475],[0.192098,0.0708037,0.0469114,0.0224168],[0.0225494,0.0576552,0.032729,0.0122364],[-0.0326771,0.0024585,0.00221763,0.00185212],[-0.0322158,-0.0166018,-0.00926161,-0.003196]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -45.70
S298 (cal/mol*K) = 7.43
G298 (kcal/mol) = -47.91

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H6(420); H(25), C2H5(421); C7H10(18)+H(25)(+M)=>C2H5(421)+C5H6(420)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.878e+00 -3.915e-01 -2.268e-01 -9.653e-02 / CHEB/ 1.171e+00 2.392e-01 1.293e-01 5.095e-02 / CHEB/ 1.921e-01 7.080e-02 4.691e-02 2.242e-02 / CHEB/ 2.255e-02 5.766e-02 3.273e-02 1.224e-02 / CHEB/ -3.268e-02 2.458e-03 2.218e-03 1.852e-03 / CHEB/ -3.222e-02 -1.660e-02 -9.262e-03 -3.196e-03 /

2090.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.0	+4.8	+5.5	+5.9
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+4.6	+5.5	+5.8

Chebyshev(coeffs=[[9.32321,-0.370799,-0.216281,-0.0929012],[2.07997,0.241313,0.131797,0.0523432],[0.436312,0.0611399,0.0416407,0.0207232],[0.0577107,0.0506925,0.029097,0.0110358],[-0.0348394,0.000534478,0.00105591,0.00130936],[-0.0320046,-0.0158523,-0.00907491,-0.00336938]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.34
S298 (cal/mol*K) = 9.19
G298 (kcal/mol) = -31.08

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H8(422); H(25), C2H3(100); C7H10(18)+H(25)(+M)=>C2H3(100)+C5H8(422)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.323e+00 -3.708e-01 -2.163e-01 -9.290e-02 / CHEB/ 2.080e+00 2.413e-01 1.318e-01 5.234e-02 / CHEB/ 4.363e-01 6.114e-02 4.164e-02 2.072e-02 / CHEB/ 5.771e-02 5.069e-02 2.910e-02 1.104e-02 / CHEB/ -3.484e-02 5.345e-04 1.056e-03 1.309e-03 / CHEB/ -3.200e-02 -1.585e-02 -9.075e-03 -3.369e-03 /

2091.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.8	+3.9	+4.8	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+1.5	+3.8	+4.8	+5.3

Chebyshev(coeffs=[[8.18873,-0.347824,-0.204683,-0.0889312],[2.58224,0.236494,0.130868,0.0526574],[0.502251,0.0512113,0.0359142,0.0186276],[0.0423652,0.045737,0.0265066,0.0101603],[-0.038227,-0.00037046,0.000439962,0.00098596],[-0.0314746,-0.0149252,-0.00873744,-0.00342964]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.18
S298 (cal/mol*K) = 11.36
G298 (kcal/mol) = -15.56

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H6(423); H(25), C2H5(421); C7H10(18)+H(25)(+M)=>C2H5(421)+C5H6(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.189e+00 -3.478e-01 -2.047e-01 -8.893e-02 / CHEB/ 2.582e+00 2.365e-01 1.309e-01 5.266e-02 / CHEB/ 5.023e-01 5.121e-02 3.591e-02 1.863e-02 / CHEB/ 4.237e-02 4.574e-02 2.651e-02 1.016e-02 / CHEB/ -3.823e-02 -3.705e-04 4.400e-04 9.860e-04 / CHEB/ -3.147e-02 -1.493e-02 -8.737e-03 -3.430e-03 /

2092.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-0.7	+1.5	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-0.8	+1.4	+2.5

Chebyshev(coeffs=[[0.102173,-0.216127,-0.134783,-0.0634722],[7.96567,0.138971,0.0838636,0.0383447],[0.452157,0.0379019,0.0252602,0.0122906],[0.0555635,0.0322985,0.0199892,0.00892894],[-0.0254148,-0.00219356,-0.00112839,-0.000137535],[-0.0225142,-0.0107768,-0.0067124,-0.0030913]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.66
S298 (cal/mol*K) = 11.54
G298 (kcal/mol) = 16.22

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(424); H(25), CH3(425); C7H10(18)+H(25)(+M)=>CH3(425)+C6H8(424)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.022e-01 -2.161e-01 -1.348e-01 -6.347e-02 / CHEB/ 7.966e+00 1.390e-01 8.386e-02 3.834e-02 / CHEB/ 4.522e-01 3.790e-02 2.526e-02 1.229e-02 / CHEB/ 5.556e-02 3.230e-02 1.999e-02 8.929e-03 / CHEB/ -2.541e-02 -2.194e-03 -1.128e-03 -1.375e-04 / CHEB/ -2.251e-02 -1.078e-02 -6.712e-03 -3.091e-03 /

2093.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-3.6	-0.5	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-3.8	-0.5	+1.2

Chebyshev(coeffs=[[-4.6774,-0.338662,-0.16768,-0.0487615],[11.0426,0.173979,0.0618689,0.00316753],[0.64976,0.0722711,0.0435746,0.0122007],[0.176467,0.0482378,0.0297448,0.0139469],[0.0279909,0.011204,0.00673715,0.00335026],[-0.00469835,-0.00383354,-0.000745815,0.00058889]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.29
S298 (cal/mol*K) = 3.72
G298 (kcal/mol) = 28.18

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(112); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(112)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.677e+00 -3.387e-01 -1.677e-01 -4.876e-02 / CHEB/ 1.104e+01 1.740e-01 6.187e-02 3.168e-03 / CHEB/ 6.498e-01 7.227e-02 4.357e-02 1.220e-02 / CHEB/ 1.765e-01 4.824e-02 2.974e-02 1.395e-02 / CHEB/ 2.799e-02 1.120e-02 6.737e-03 3.350e-03 / CHEB/ -4.698e-03 -3.834e-03 -7.458e-04 5.889e-04 /

2094.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+1.7	+3.5	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-2.8	+1.4	+3.4	+4.6

Chebyshev(coeffs=[[4.57284,-0.818005,-0.243214,-0.00670712],[4.90485,0.644854,0.0869433,-0.051483],[0.887531,0.0775998,0.0875987,0.0137435],[0.163125,0.0215495,0.0218186,0.0185717],[0.0377973,0.0250028,0.0074536,0.00334137],[0.00343069,0.0079849,0.00728476,0.0025079]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = -0.49

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(67); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(67)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.573e+00 -8.180e-01 -2.432e-01 -6.707e-03 / CHEB/ 4.905e+00 6.449e-01 8.694e-02 -5.148e-02 / CHEB/ 8.875e-01 7.760e-02 8.760e-02 1.374e-02 / CHEB/ 1.631e-01 2.155e-02 2.182e-02 1.857e-02 / CHEB/ 3.780e-02 2.500e-02 7.454e-03 3.341e-03 / CHEB/ 3.431e-03 7.985e-03 7.285e-03 2.508e-03 /

2095.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	-4.9	-1.1	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-16.0	-4.9	-1.1	+0.9

Chebyshev(coeffs=[[-8.90369,-0.113925,-0.0745049,-0.0372749],[15.5072,0.0601398,0.0387945,0.0190394],[0.206677,0.0276538,0.0182033,0.00910099],[0.0551881,0.0208606,0.0135268,0.00665455],[-0.00228946,-0.00166378,-0.00105865,-0.000486841],[-0.0108004,-0.00644801,-0.00415389,-0.0020208]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.99
S298 (cal/mol*K) = 16.42
G298 (kcal/mol) = 43.10

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H8(426); H(25), C2H3(100); C7H10(18)+H(25)(+M)=>C2H3(100)+C5H8(426)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.904e+00 -1.139e-01 -7.450e-02 -3.727e-02 / CHEB/ 1.551e+01 6.014e-02 3.879e-02 1.904e-02 / CHEB/ 2.067e-01 2.765e-02 1.820e-02 9.101e-03 / CHEB/ 5.519e-02 2.086e-02 1.353e-02 6.655e-03 / CHEB/ -2.289e-03 -1.664e-03 -1.059e-03 -4.868e-04 / CHEB/ -1.080e-02 -6.448e-03 -4.154e-03 -2.021e-03 /

2096.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-4.3	-1.2	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-12.9	-4.4	-1.2	+0.5

Chebyshev(coeffs=[[-5.69834,-0.172373,-0.109638,-0.0528399],[11.5236,0.103905,0.0645104,0.0303612],[0.545291,0.0345481,0.0226938,0.0109994],[0.118072,0.027978,0.017694,0.00831413],[0.00375167,-0.0021865,-0.00125486,-0.000395033],[-0.0113089,-0.00911952,-0.00577307,-0.00273905]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.64
S298 (cal/mol*K) = -0.70
G298 (kcal/mol) = 30.85

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(427); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(427)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.698e+00 -1.724e-01 -1.096e-01 -5.284e-02 / CHEB/ 1.152e+01 1.039e-01 6.451e-02 3.036e-02 / CHEB/ 5.453e-01 3.455e-02 2.269e-02 1.100e-02 / CHEB/ 1.181e-01 2.798e-02 1.769e-02 8.314e-03 / CHEB/ 3.752e-03 -2.186e-03 -1.255e-03 -3.950e-04 / CHEB/ -1.131e-02 -9.120e-03 -5.773e-03 -2.739e-03 /

2097.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-2.0	+0.7	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-9.1	-2.2	+0.6	+2.0

Chebyshev(coeffs=[[-1.8336,-0.46141,-0.200665,-0.0423266],[9.06647,0.264949,0.0717377,-0.00909588],[0.641207,0.0895171,0.0568627,0.01192],[0.122387,0.0526562,0.0327022,0.0161624],[-0.00402142,0.0112809,0.00615845,0.00335935],[-0.0182364,-0.00558416,-0.00142727,6.10081e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.73
S298 (cal/mol*K) = 4.51
G298 (kcal/mol) = 20.38

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(428); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(428)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.834e+00 -4.614e-01 -2.007e-01 -4.233e-02 / CHEB/ 9.066e+00 2.649e-01 7.174e-02 -9.096e-03 / CHEB/ 6.412e-01 8.952e-02 5.686e-02 1.192e-02 / CHEB/ 1.224e-01 5.266e-02 3.270e-02 1.616e-02 / CHEB/ -4.021e-03 1.128e-02 6.158e-03 3.359e-03 / CHEB/ -1.824e-02 -5.584e-03 -1.427e-03 6.101e-05 /

2098.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.7	-6.4	-2.6	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-16.8	-6.4	-2.6	-0.6

Chebyshev(coeffs=[[-9.55987,-0.135615,-0.0877463,-0.0432192],[14.3416,0.0759892,0.0483059,0.0232782],[0.449665,0.0304886,0.0200044,0.00986316],[0.114678,0.0237027,0.0152402,0.00739035],[0.0117555,-0.00192478,-0.00118688,-0.000497685],[-0.00700695,-0.00749832,-0.00480109,-0.00231609]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.04
S298 (cal/mol*K) = -0.02
G298 (kcal/mol) = 42.04

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(429); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(429)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.560e+00 -1.356e-01 -8.775e-02 -4.322e-02 / CHEB/ 1.434e+01 7.599e-02 4.831e-02 2.328e-02 / CHEB/ 4.497e-01 3.049e-02 2.000e-02 9.863e-03 / CHEB/ 1.147e-01 2.370e-02 1.524e-02 7.390e-03 / CHEB/ 1.176e-02 -1.925e-03 -1.187e-03 -4.977e-04 / CHEB/ -7.007e-03 -7.498e-03 -4.801e-03 -2.316e-03 /

2099.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.0	+3.0	+3.4	+3.5
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+2.9	+3.3	+3.5

Chebyshev(coeffs=[[8.01856,-0.389551,-0.225796,-0.0962141],[1.29178,0.239005,0.129265,0.0509805],[0.215371,0.0695663,0.0462272,0.0221902],[0.0281764,0.0569841,0.0323808,0.0121248],[-0.0290131,0.00243312,0.00219343,0.00183286],[-0.0316882,-0.0164193,-0.00918438,-0.00319124]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -82.56
S298 (cal/mol*K) = -39.13
G298 (kcal/mol) = -70.90

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(430); H(25), C7H11(430); C7H10(18)+H(25)(+M)=>C7H11(430)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.019e+00 -3.896e-01 -2.258e-01 -9.621e-02 / CHEB/ 1.292e+00 2.390e-01 1.293e-01 5.098e-02 / CHEB/ 2.154e-01 6.957e-02 4.623e-02 2.219e-02 / CHEB/ 2.818e-02 5.698e-02 3.238e-02 1.212e-02 / CHEB/ -2.901e-02 2.433e-03 2.193e-03 1.833e-03 / CHEB/ -3.169e-02 -1.642e-02 -9.184e-03 -3.191e-03 /

2100.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-5.3	-2.0	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-14.8	-5.5	-2.1	-0.3

Chebyshev(coeffs=[[-7.73852,-0.336447,-0.176491,-0.0537195],[12.9837,0.243482,0.108448,0.0157701],[0.322869,0.0395056,0.0338388,0.0207681],[0.0878238,0.0299787,0.017711,0.00807018],[0.00945519,0.0103055,0.00475175,0.000680585],[-0.0091137,-0.00507783,-0.00195922,-5.60438e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.31
S298 (cal/mol*K) = 6.95
G298 (kcal/mol) = 36.24

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(431); H(25), CH2(137); C7H10(18)+H(25)(+M)=>CH2(137)+C6H9(431)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.739e+00 -3.364e-01 -1.765e-01 -5.372e-02 / CHEB/ 1.298e+01 2.435e-01 1.084e-01 1.577e-02 / CHEB/ 3.229e-01 3.951e-02 3.384e-02 2.077e-02 / CHEB/ 8.782e-02 2.998e-02 1.771e-02 8.070e-03 / CHEB/ 9.455e-03 1.031e-02 4.752e-03 6.806e-04 / CHEB/ -9.114e-03 -5.078e-03 -1.959e-03 -5.604e-05 /

2101.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.6	+2.2	+2.8	+3.2
log₁₀(k(10 bar)/[mole,m,s])	+0.4	+2.0	+2.8	+3.1

Chebyshev(coeffs=[[6.88159,-0.375492,-0.218617,-0.0936909],[1.85626,0.241984,0.131818,0.0522426],[0.390314,0.0635868,0.0430165,0.0211988],[0.0610452,0.0519297,0.0297439,0.0112521],[-0.0263885,0.000636222,0.00113743,0.00136285],[-0.02959,-0.0161388,-0.00918888,-0.0033661]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -101.68
S298 (cal/mol*K) = -31.86
G298 (kcal/mol) = -92.18

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(432); H(25), C7H11(432); C7H10(18)+H(25)(+M)=>C7H11(432)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.882e+00 -3.755e-01 -2.186e-01 -9.369e-02 / CHEB/ 1.856e+00 2.420e-01 1.318e-01 5.224e-02 / CHEB/ 3.903e-01 6.359e-02 4.302e-02 2.120e-02 / CHEB/ 6.105e-02 5.193e-02 2.974e-02 1.125e-02 / CHEB/ -2.639e-02 6.362e-04 1.137e-03 1.363e-03 / CHEB/ -2.959e-02 -1.614e-02 -9.189e-03 -3.366e-03 /

2102.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.3	-7.4	-2.9	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-20.4	-7.4	-2.9	-0.6

Chebyshev(coeffs=[[-13.1546,-0.0912124,-0.0603617,-0.0307748],[18.2696,0.0440319,0.0288823,0.0145294],[0.210026,0.0243071,0.0160845,0.008159],[0.0665113,0.01766,0.0115488,0.00576166],[0.00721178,-0.00128814,-0.00083884,-0.000409094],[-0.00610887,-0.00528326,-0.00342821,-0.00168616]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.60
S298 (cal/mol*K) = 12.64
G298 (kcal/mol) = 44.83

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H4(434); H(25), C3H7(433); C7H10(18)+H(25)(+M)=>C4H4(434)+C3H7(433)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.315e+01 -9.121e-02 -6.036e-02 -3.077e-02 / CHEB/ 1.827e+01 4.403e-02 2.888e-02 1.453e-02 / CHEB/ 2.100e-01 2.431e-02 1.608e-02 8.159e-03 / CHEB/ 6.651e-02 1.766e-02 1.155e-02 5.762e-03 / CHEB/ 7.212e-03 -1.288e-03 -8.388e-04 -4.091e-04 / CHEB/ -6.109e-03 -5.283e-03 -3.428e-03 -1.686e-03 /

2105.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+2.5	+3.6	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+2.2	+3.5	+4.1

Chebyshev(coeffs=[[5.59802,-1.05486,-0.446335,-0.0761405],[4.07083,0.81677,0.261536,-0.0141463],[0.427164,0.127308,0.109091,0.0442574],[0.037502,0.0723586,0.0359254,0.0157985],[-0.0415012,0.00319812,0.00650162,0.00607438],[-0.0463377,-0.0247891,-0.0073308,0.00203685]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.13
S298 (cal/mol*K) = -26.58
G298 (kcal/mol) = 9.06

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(418); H(25), C7H11(418); C7H10(146)+H(25)(+M)=>C7H11(418)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.598e+00 -1.055e+00 -4.463e-01 -7.614e-02 / CHEB/ 4.071e+00 8.168e-01 2.615e-01 -1.415e-02 / CHEB/ 4.272e-01 1.273e-01 1.091e-01 4.426e-02 / CHEB/ 3.750e-02 7.236e-02 3.593e-02 1.580e-02 / CHEB/ -4.150e-02 3.198e-03 6.502e-03 6.074e-03 / CHEB/ -4.634e-02 -2.479e-02 -7.331e-03 2.037e-03 /

2106.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+1.5	+3.3	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+1.2	+3.2	+4.1

Chebyshev(coeffs=[[3.25556,-0.847162,-0.403776,-0.0954591],[6.3257,0.657011,0.259442,0.0182193],[0.555866,0.105669,0.086972,0.0433507],[0.0743452,0.066127,0.0338754,0.0134536],[-0.0326317,0.00121037,0.00458049,0.00470606],[-0.0418541,-0.023822,-0.00902636,0.000387634]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.68
S298 (cal/mol*K) = -1.75
G298 (kcal/mol) = 9.20

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(92); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(92)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.256e+00 -8.472e-01 -4.038e-01 -9.546e-02 / CHEB/ 6.326e+00 6.570e-01 2.594e-01 1.822e-02 / CHEB/ 5.559e-01 1.057e-01 8.697e-02 4.335e-02 / CHEB/ 7.435e-02 6.613e-02 3.388e-02 1.345e-02 / CHEB/ -3.263e-02 1.210e-03 4.580e-03 4.706e-03 / CHEB/ -4.185e-02 -2.382e-02 -9.026e-03 3.876e-04 /

2107.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+2.0	+3.9	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+1.7	+3.8	+4.8

Chebyshev(coeffs=[[3.21606,-0.783057,-0.387767,-0.101152],[7.05447,0.594191,0.249755,0.0277856],[0.514151,0.10555,0.0816483,0.0411197],[0.0705271,0.0664315,0.0345811,0.0130151],[-0.0339898,0.00123791,0.00436689,0.00453801],[-0.0418857,-0.0232951,-0.0092358,4.77041e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.96
S298 (cal/mol*K) = 0.60
G298 (kcal/mol) = 9.78

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(419); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(419)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.216e+00 -7.831e-01 -3.878e-01 -1.012e-01 / CHEB/ 7.054e+00 5.942e-01 2.498e-01 2.779e-02 / CHEB/ 5.142e-01 1.055e-01 8.165e-02 4.112e-02 / CHEB/ 7.053e-02 6.643e-02 3.458e-02 1.302e-02 / CHEB/ -3.399e-02 1.238e-03 4.367e-03 4.538e-03 / CHEB/ -4.189e-02 -2.330e-02 -9.236e-03 4.770e-05 /

2108.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+3.0	+4.4	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-1.2	+2.7	+4.3	+4.9

Chebyshev(coeffs=[[5.71291,-0.987673,-0.43392,-0.0824846],[4.74779,0.771617,0.264611,-0.003906],[0.491034,0.116491,0.101574,0.0451457],[0.0501136,0.069732,0.0346806,0.0149589],[-0.0397673,0.00244703,0.00579916,0.00552592],[-0.0452373,-0.0245478,-0.0080009,0.0014451]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.20
S298 (cal/mol*K) = 12.31
G298 (kcal/mol) = -5.86

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C5H6(420); H(25), C2H5(421); C7H10(146)+H(25)(+M)=>C2H5(421)+C5H6(420)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.713e+00 -9.877e-01 -4.339e-01 -8.248e-02 / CHEB/ 4.748e+00 7.716e-01 2.646e-01 -3.906e-03 / CHEB/ 4.910e-01 1.165e-01 1.016e-01 4.515e-02 / CHEB/ 5.011e-02 6.973e-02 3.468e-02 1.496e-02 / CHEB/ -3.977e-02 2.447e-03 5.799e-03 5.526e-03 / CHEB/ -4.524e-02 -2.455e-02 -8.001e-03 1.445e-03 /

2109.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+2.4	+4.4	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-4.0	+2.1	+4.3	+5.4

Chebyshev(coeffs=[[2.99932,-0.709156,-0.366715,-0.106819],[7.96354,0.517067,0.232798,0.0373652],[0.423827,0.106589,0.0766241,0.0380738],[0.0505234,0.0682003,0.0360294,0.0127845],[-0.0460451,0.00191564,0.0044369,0.00444529],[-0.0450405,-0.0225242,-0.00930772,-0.000274074]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.16
S298 (cal/mol*K) = 14.07
G298 (kcal/mol) = 10.97

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C5H8(422); H(25), C2H3(100); C7H10(146)+H(25)(+M)=>C2H3(100)+C5H8(422)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.999e+00 -7.092e-01 -3.667e-01 -1.068e-01 / CHEB/ 7.964e+00 5.171e-01 2.328e-01 3.737e-02 / CHEB/ 4.238e-01 1.066e-01 7.662e-02 3.807e-02 / CHEB/ 5.052e-02 6.820e-02 3.603e-02 1.278e-02 / CHEB/ -4.605e-02 1.916e-03 4.437e-03 4.445e-03 / CHEB/ -4.504e-02 -2.252e-02 -9.308e-03 -2.741e-04 /

2110.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	+1.1	+3.5	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-6.7	+0.9	+3.5	+4.6

Chebyshev(coeffs=[[0.0686956,-0.526838,-0.298813,-0.109542],[10.4565,0.355714,0.18478,0.0517595],[0.172186,0.0939527,0.0630348,0.0313783],[0.00984953,0.0660746,0.0364786,0.0128901],[-0.0466546,0.00178519,0.003458,0.00356996],[-0.0432312,-0.0206238,-0.00975688,-0.0016222]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.33
S298 (cal/mol*K) = 16.24
G298 (kcal/mol) = 26.49

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C5H6(423); H(25), C2H5(421); C7H10(146)+H(25)(+M)=>C2H5(421)+C5H6(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.870e-02 -5.268e-01 -2.988e-01 -1.095e-01 / CHEB/ 1.046e+01 3.557e-01 1.848e-01 5.176e-02 / CHEB/ 1.722e-01 9.395e-02 6.303e-02 3.138e-02 / CHEB/ 9.850e-03 6.607e-02 3.648e-02 1.289e-02 / CHEB/ -4.665e-02 1.785e-03 3.458e-03 3.570e-03 / CHEB/ -4.323e-02 -2.062e-02 -9.757e-03 -1.622e-03 /

2111.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.3	-4.8	-0.5	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-18.5	-4.9	-0.5	+1.5

Chebyshev(coeffs=[[-11.4974,-0.230092,-0.148256,-0.0716959],[19.2522,0.133322,0.0838596,0.038607],[-0.15441,0.0518829,0.0341091,0.0171216],[-0.0628198,0.0432998,0.0270457,0.0122863],[-0.0469737,0.000117409,0.000890974,0.00119812],[-0.0311133,-0.0135175,-0.00802258,-0.00322702]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 63.16
S298 (cal/mol*K) = 16.42
G298 (kcal/mol) = 58.27

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C6H8(424); H(25), CH3(425); C7H10(146)+H(25)(+M)=>CH3(425)+C6H8(424)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.150e+01 -2.301e-01 -1.483e-01 -7.170e-02 / CHEB/ 1.925e+01 1.333e-01 8.386e-02 3.861e-02 / CHEB/ -1.544e-01 5.188e-02 3.411e-02 1.712e-02 / CHEB/ -6.282e-02 4.330e-02 2.705e-02 1.229e-02 / CHEB/ -4.697e-02 1.174e-04 8.910e-04 1.198e-03 / CHEB/ -3.111e-02 -1.352e-02 -8.023e-03 -3.227e-03 /

2112.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.3	-8.5	-3.4	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-24.4	-8.6	-3.4	-0.9

Chebyshev(coeffs=[[-17.1861,-0.183958,-0.12053,-0.0601747],[22.444,0.102868,0.0663147,0.0320779],[-0.0590182,0.0437307,0.0287873,0.0144959],[-0.031905,0.0365711,0.0233657,0.0111105],[-0.031475,-0.000525485,0.000273637,0.000714745],[-0.0228654,-0.0116015,-0.00709856,-0.00307097]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.79
S298 (cal/mol*K) = 8.61
G298 (kcal/mol) = 70.23

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(112); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(112)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.719e+01 -1.840e-01 -1.205e-01 -6.017e-02 / CHEB/ 2.244e+01 1.029e-01 6.631e-02 3.208e-02 / CHEB/ -5.902e-02 4.373e-02 2.879e-02 1.450e-02 / CHEB/ -3.190e-02 3.657e-02 2.337e-02 1.111e-02 / CHEB/ -3.147e-02 -5.255e-04 2.736e-04 7.147e-04 / CHEB/ -2.287e-02 -1.160e-02 -7.099e-03 -3.071e-03 /

2113.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.2	-3.3	+0.1	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-3.4	+0.1	+1.7

Chebyshev(coeffs=[[-6.38979,-0.402204,-0.241285,-0.100641],[13.8824,0.261315,0.147732,0.0529867],[0.245977,0.0772211,0.0514022,0.0259993],[0.0354595,0.0590396,0.0340924,0.0131101],[-0.0344756,0.00105488,0.00235018,0.00260996],[-0.034505,-0.0185823,-0.00974588,-0.00268044]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.20
S298 (cal/mol*K) = 2.18
G298 (kcal/mol) = 41.56

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(67); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(67)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.390e+00 -4.022e-01 -2.413e-01 -1.006e-01 / CHEB/ 1.388e+01 2.613e-01 1.477e-01 5.299e-02 / CHEB/ 2.460e-01 7.722e-02 5.140e-02 2.600e-02 / CHEB/ 3.546e-02 5.904e-02 3.409e-02 1.311e-02 / CHEB/ -3.448e-02 1.055e-03 2.350e-03 2.610e-03 / CHEB/ -3.451e-02 -1.858e-02 -9.746e-03 -2.680e-03 /

2114.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.2	-9.7	-3.5	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-29.3	-9.8	-3.5	-0.6

Chebyshev(coeffs=[[-21.9033,-0.108611,-0.0729575,-0.0381168],[27.7472,0.0544994,0.0364326,0.0188673],[-0.251328,0.0301189,0.019961,0.0101783],[-0.0838604,0.0236674,0.0156615,0.00796289],[-0.0397213,-0.00139366,-0.00061953,-3.03266e-05],[-0.0211687,-0.00783179,-0.00501032,-0.00238534]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.50
S298 (cal/mol*K) = 21.30
G298 (kcal/mol) = 85.15

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C5H8(426); H(25), C2H3(100); C7H10(146)+H(25)(+M)=>C2H3(100)+C5H8(426)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.190e+01 -1.086e-01 -7.296e-02 -3.812e-02 / CHEB/ 2.775e+01 5.450e-02 3.643e-02 1.887e-02 / CHEB/ -2.513e-01 3.012e-02 1.996e-02 1.018e-02 / CHEB/ -8.386e-02 2.367e-02 1.566e-02 7.963e-03 / CHEB/ -3.972e-02 -1.394e-03 -6.195e-04 -3.033e-05 / CHEB/ -2.117e-02 -7.832e-03 -5.010e-03 -2.385e-03 /

2115.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.2	-8.7	-3.3	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-25.3	-8.8	-3.4	-0.7

Chebyshev(coeffs=[[-17.9217,-0.175192,-0.115138,-0.0578112],[23.2723,0.0971761,0.0629263,0.0307051],[-0.00725412,0.0421577,0.027763,0.0139916],[-0.0161159,0.0351844,0.0225756,0.0108251],[-0.0252145,-0.000649559,0.000154977,0.000621578],[-0.0201201,-0.0112041,-0.00689329,-0.0030197]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.14
S298 (cal/mol*K) = 4.19
G298 (kcal/mol) = 72.90

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(427); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(427)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.792e+01 -1.752e-01 -1.151e-01 -5.781e-02 / CHEB/ 2.327e+01 9.718e-02 6.293e-02 3.071e-02 / CHEB/ -7.254e-03 4.216e-02 2.776e-02 1.399e-02 / CHEB/ -1.612e-02 3.518e-02 2.258e-02 1.083e-02 / CHEB/ -2.521e-02 -6.496e-04 1.550e-04 6.216e-04 / CHEB/ -2.012e-02 -1.120e-02 -6.893e-03 -3.020e-03 /

2116.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.0	-6.6	-1.9	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-21.1	-6.7	-1.9	+0.4

Chebyshev(coeffs=[[-13.8984,-0.224251,-0.144807,-0.0703234],[20.3093,0.129414,0.0816629,0.037845],[0.00843848,0.0508661,0.0334439,0.016793],[-0.0145224,0.042502,0.0266238,0.0121662],[-0.0303349,3.9324e-05,0.000814902,0.00113818],[-0.024906,-0.0132909,-0.00791958,-0.00321727]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.23
S298 (cal/mol*K) = 9.40
G298 (kcal/mol) = 62.43

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(428); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(428)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.390e+01 -2.243e-01 -1.448e-01 -7.032e-02 / CHEB/ 2.031e+01 1.294e-01 8.166e-02 3.785e-02 / CHEB/ 8.438e-03 5.087e-02 3.344e-02 1.679e-02 / CHEB/ -1.452e-02 4.250e-02 2.662e-02 1.217e-02 / CHEB/ -3.033e-02 3.932e-05 8.149e-04 1.138e-03 / CHEB/ -2.491e-02 -1.329e-02 -7.920e-03 -3.217e-03 /

2117.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.7	-11.1	-4.9	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-29.8	-11.1	-5.0	-2.0

Chebyshev(coeffs=[[-22.2747,-0.132558,-0.0883698,-0.0455457],[26.4122,0.0697707,0.0461304,0.023414],[-0.0453666,0.034468,0.0227705,0.0115435],[-0.0246465,0.0279897,0.0183248,0.00913358],[-0.0229563,-0.001194,-0.00038535,0.000182979],[-0.0167041,-0.00911649,-0.00575392,-0.00266423]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 85.54
S298 (cal/mol*K) = 4.87
G298 (kcal/mol) = 84.09

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H10(429); H(25), H(25); C7H10(146)+H(25)(+M)=>H(25)+C7H10(429)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.227e+01 -1.326e-01 -8.837e-02 -4.555e-02 / CHEB/ 2.641e+01 6.977e-02 4.613e-02 2.341e-02 / CHEB/ -4.537e-02 3.447e-02 2.277e-02 1.154e-02 / CHEB/ -2.465e-02 2.799e-02 1.832e-02 9.134e-03 / CHEB/ -2.296e-02 -1.194e-03 -3.853e-04 1.830e-04 / CHEB/ -1.670e-02 -9.116e-03 -5.754e-03 -2.664e-03 /

2118.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.7	+1.2	+2.6	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-3.4	+0.9	+2.5	+3.2

Chebyshev(coeffs=[[3.53134,-0.93891,-0.426148,-0.0882472],[5.24217,0.721752,0.261628,0.00412845],[0.466181,0.116183,0.0963495,0.0439382],[0.0477405,0.0707141,0.0354237,0.0143477],[-0.0387153,0.00318592,0.0059908,0.00542096],[-0.044855,-0.0240101,-0.00809635,0.00127334]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -39.06
S298 (cal/mol*K) = -34.24
G298 (kcal/mol) = -28.85

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(430); H(25), C7H11(430); C7H10(146)+H(25)(+M)=>C7H11(430)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.531e+00 -9.389e-01 -4.261e-01 -8.825e-02 / CHEB/ 5.242e+00 7.218e-01 2.616e-01 4.128e-03 / CHEB/ 4.662e-01 1.162e-01 9.635e-02 4.394e-02 / CHEB/ 4.774e-02 7.071e-02 3.542e-02 1.435e-02 / CHEB/ -3.872e-02 3.186e-03 5.991e-03 5.421e-03 / CHEB/ -4.486e-02 -2.401e-02 -8.096e-03 1.273e-03 /

2119.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.1	-10.5	-4.8	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-28.2	-10.5	-4.8	-2.1

Chebyshev(coeffs=[[-20.8603,-0.142552,-0.0947239,-0.0485336],[25.0521,0.0761638,0.0501193,0.0252155],[-0.158238,0.0362741,0.0239406,0.0121152],[-0.0585003,0.029739,0.0193803,0.0095757],[-0.0353609,-0.00108116,-0.000268136,0.000281594],[-0.0216839,-0.00962879,-0.00604213,-0.00276363]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.81
S298 (cal/mol*K) = 11.83
G298 (kcal/mol) = 78.29

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C6H9(431); H(25), CH2(137); C7H10(146)+H(25)(+M)=>CH2(137)+C6H9(431)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.086e+01 -1.426e-01 -9.472e-02 -4.853e-02 / CHEB/ 2.505e+01 7.616e-02 5.012e-02 2.522e-02 / CHEB/ -1.582e-01 3.627e-02 2.394e-02 1.212e-02 / CHEB/ -5.850e-02 2.974e-02 1.938e-02 9.576e-03 / CHEB/ -3.536e-02 -1.081e-03 -2.681e-04 2.816e-04 / CHEB/ -2.168e-02 -9.629e-03 -6.042e-03 -2.764e-03 /

2120.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	-0.1	+1.8	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-5.9	-0.4	+1.7	+2.7

Chebyshev(coeffs=[[1.09167,-0.774144,-0.385819,-0.102252],[7.12147,0.58139,0.24684,0.0290824],[0.479219,0.107325,0.0812903,0.0405033],[0.0630011,0.0672726,0.0350946,0.0130139],[-0.0366181,0.00149483,0.00449403,0.00459519],[-0.0427327,-0.023157,-0.00917904,6.90631e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -58.18
S298 (cal/mol*K) = -26.98
G298 (kcal/mol) = -50.14

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C7H11(432); H(25), C7H11(432); C7H10(146)+H(25)(+M)=>C7H11(432)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.092e+00 -7.741e-01 -3.858e-01 -1.023e-01 / CHEB/ 7.121e+00 5.814e-01 2.468e-01 2.908e-02 / CHEB/ 4.792e-01 1.073e-01 8.129e-02 4.050e-02 / CHEB/ 6.300e-02 6.727e-02 3.509e-02 1.301e-02 / CHEB/ -3.662e-02 1.495e-03 4.494e-03 4.595e-03 / CHEB/ -4.273e-02 -2.316e-02 -9.179e-03 6.906e-05 /

2121.

→

PDepNetwork #18

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.0	-12.4	-5.5	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-34.1	-12.5	-5.5	-2.1

Chebyshev(coeffs=[[-26.454,-0.0844753,-0.0571675,-0.0302608],[30.6739,0.0391842,0.0264759,0.0139746],[-0.207519,0.0255991,0.017052,0.00877528],[-0.0697559,0.0191733,0.0128166,0.00663742],[-0.0322226,-0.00143039,-0.000744092,-0.000187048],[-0.017082,-0.00644868,-0.0041811,-0.00204418]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 92.10
S298 (cal/mol*K) = 17.52
G298 (kcal/mol) = 86.88

! PDep reaction: PDepNetwork #18 ! Flux pairs: C7H10(146), C4H4(434); H(25), C3H7(433); C7H10(146)+H(25)(+M)=>C4H4(434)+C3H7(433)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.645e+01 -8.448e-02 -5.717e-02 -3.026e-02 / CHEB/ 3.067e+01 3.918e-02 2.648e-02 1.397e-02 / CHEB/ -2.075e-01 2.560e-02 1.705e-02 8.775e-03 / CHEB/ -6.976e-02 1.917e-02 1.282e-02 6.637e-03 / CHEB/ -3.222e-02 -1.430e-03 -7.441e-04 -1.870e-04 / CHEB/ -1.708e-02 -6.449e-03 -4.181e-03 -2.044e-03 /

2126.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	+1.8	+4.2	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-6.1	+2.8	+5.2	+6.1

Chebyshev(coeffs=[[-6.28184,1.9355,-0.0264994,-0.0198882],[11.8479,0.0356466,-0.00198096,0.00928552],[-0.0252877,-0.00926862,0.0070664,-0.00220119],[-0.268862,0.0243669,0.0104326,0.00769142],[-0.138093,0.00686787,0.00698831,0.00256993],[-0.0277329,9.27938e-05,-0.000963586,-4.04022e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = -1.38
G298 (kcal/mol) = 0.41

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H11(220); C7H11(40)(+M)=>C7H11(220)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.282e+00 1.936e+00 -2.650e-02 -1.989e-02 / CHEB/ 1.185e+01 3.565e-02 -1.981e-03 9.286e-03 / CHEB/ -2.529e-02 -9.269e-03 7.066e-03 -2.201e-03 / CHEB/ -2.689e-01 2.437e-02 1.043e-02 7.691e-03 / CHEB/ -1.381e-01 6.868e-03 6.988e-03 2.570e-03 / CHEB/ -2.773e-02 9.279e-05 -9.636e-04 -4.040e-05 /

2128.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.9	+0.1	+2.9	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-8.9	+1.1	+3.9	+5.0

Chebyshev(coeffs=[[-8.9619,1.95761,-0.0287738,-0.0153144],[13.3974,0.0130036,0.00882379,0.00469206],[-0.0333612,0.0011705,0.000888558,0.000560017],[-0.239065,0.017166,0.0114548,0.00591271],[-0.136036,0.00752031,0.00501641,0.00258784],[-0.0340448,-0.000864743,-0.000563074,-0.000277338]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.55
S298 (cal/mol*K) = -3.09
G298 (kcal/mol) = 11.47

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H11(219); C7H11(40)(+M)=>C7H11(219)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.962e+00 1.958e+00 -2.877e-02 -1.531e-02 / CHEB/ 1.340e+01 1.300e-02 8.824e-03 4.692e-03 / CHEB/ -3.336e-02 1.170e-03 8.886e-04 5.600e-04 / CHEB/ -2.391e-01 1.717e-02 1.145e-02 5.913e-03 / CHEB/ -1.360e-01 7.520e-03 5.016e-03 2.588e-03 / CHEB/ -3.404e-02 -8.647e-04 -5.631e-04 -2.773e-04 /

2129.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.0	-9.3	-2.6	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-30.0	-8.3	-1.6	+1.4

Chebyshev(coeffs=[[-29.2425,1.99622,-0.00262628,-0.00145247],[30.2545,-0.000276898,-0.000189789,-0.000102684],[-0.168005,0.000398766,0.000276595,0.00015269],[-0.268723,0.00173689,0.00120347,0.000663181],[-0.119845,0.00108479,0.000751013,0.000413276],[-0.0176226,0.000115369,7.97003e-05,4.37016e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.45
S298 (cal/mol*K) = 30.94
G298 (kcal/mol) = 89.23

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(31); C7H11(40)(+M)=>H(25)+C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.924e+01 1.996e+00 -2.626e-03 -1.452e-03 / CHEB/ 3.025e+01 -2.769e-04 -1.898e-04 -1.027e-04 / CHEB/ -1.680e-01 3.988e-04 2.766e-04 1.527e-04 / CHEB/ -2.687e-01 1.737e-03 1.203e-03 6.632e-04 / CHEB/ -1.198e-01 1.085e-03 7.510e-04 4.133e-04 / CHEB/ -1.762e-02 1.154e-04 7.970e-05 4.370e-05 /

2130.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.9	-9.1	-2.4	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-29.9	-8.1	-1.4	+1.7

Chebyshev(coeffs=[[-29.1274,1.99622,-0.00262628,-0.00145247],[30.3613,-0.000276898,-0.000189789,-0.000102684],[-0.144407,0.000398766,0.000276595,0.00015269],[-0.261775,0.00173689,0.00120347,0.000663181],[-0.117545,0.00108479,0.000751013,0.000413276],[-0.0168121,0.000115369,7.97003e-05,4.37016e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.45
S298 (cal/mol*K) = 32.32
G298 (kcal/mol) = 88.82

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(35); C7H11(40)(+M)=>H(25)+C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.913e+01 1.996e+00 -2.626e-03 -1.452e-03 / CHEB/ 3.036e+01 -2.769e-04 -1.898e-04 -1.027e-04 / CHEB/ -1.444e-01 3.988e-04 2.766e-04 1.527e-04 / CHEB/ -2.618e-01 1.737e-03 1.203e-03 6.632e-04 / CHEB/ -1.175e-01 1.085e-03 7.510e-04 4.133e-04 / CHEB/ -1.681e-02 1.154e-04 7.970e-05 4.370e-05 /

2131.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.0	-7.8	-1.8	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-26.0	-6.8	-0.8	+1.8

Chebyshev(coeffs=[[-25.4252,1.99301,-0.00484568,-0.00267121],[26.7718,0.000545061,0.000384019,0.000217433],[-0.173643,0.000788869,0.000546207,0.000300632],[-0.186404,0.00298707,0.00206238,0.00112976],[-0.129906,0.00169403,0.00116819,0.00063863],[-0.052571,5.48415e-05,3.77073e-05,2.05127e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 85.60
S298 (cal/mol*K) = 23.61
G298 (kcal/mol) = 78.56

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(28); C7H11(40)(+M)=>H(25)+C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.543e+01 1.993e+00 -4.846e-03 -2.671e-03 / CHEB/ 2.677e+01 5.451e-04 3.840e-04 2.174e-04 / CHEB/ -1.736e-01 7.889e-04 5.462e-04 3.006e-04 / CHEB/ -1.864e-01 2.987e-03 2.062e-03 1.130e-03 / CHEB/ -1.299e-01 1.694e-03 1.168e-03 6.386e-04 / CHEB/ -5.257e-02 5.484e-05 3.771e-05 2.051e-05 /

2132.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.8	-6.6	-1.6	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-21.8	-5.6	-0.6	+1.6

Chebyshev(coeffs=[[-21.3774,1.98599,-0.00967022,-0.005293],[22.4012,0.00352345,0.00244453,0.00134989],[-0.0212912,0.00105835,0.000734991,0.000406535],[-0.222676,0.00572999,0.00392882,0.00212708],[-0.122867,0.00272025,0.00186219,0.00100548],[-0.0222827,-0.000300211,-0.000204998,-0.000110195]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.75
S298 (cal/mol*K) = 13.52
G298 (kcal/mol) = 68.72

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(33); C7H11(40)(+M)=>H(25)+C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.138e+01 1.986e+00 -9.670e-03 -5.293e-03 / CHEB/ 2.240e+01 3.523e-03 2.445e-03 1.350e-03 / CHEB/ -2.129e-02 1.058e-03 7.350e-04 4.065e-04 / CHEB/ -2.227e-01 5.730e-03 3.929e-03 2.127e-03 / CHEB/ -1.229e-01 2.720e-03 1.862e-03 1.005e-03 / CHEB/ -2.228e-02 -3.002e-04 -2.050e-04 -1.102e-04 /

2133.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.8	-12.6	-5.0	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-35.8	-11.6	-4.0	-0.4

Chebyshev(coeffs=[[-34.6679,1.9976,-0.00167088,-0.000925427],[33.649,-0.000365274,-0.000252785,-0.000139015],[-0.0473152,0.000211659,0.000146991,8.13074e-05],[-0.247318,0.00109607,0.00076072,0.000420361],[-0.115464,0.000736644,0.000510996,0.000282123],[-0.0124293,0.000121006,8.38485e-05,4.62095e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 29.23
G298 (kcal/mol) = 100.29

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(30); C7H11(40)(+M)=>H(25)+C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.467e+01 1.998e+00 -1.671e-03 -9.254e-04 / CHEB/ 3.365e+01 -3.653e-04 -2.528e-04 -1.390e-04 / CHEB/ -4.732e-02 2.117e-04 1.470e-04 8.131e-05 / CHEB/ -2.473e-01 1.096e-03 7.607e-04 4.204e-04 / CHEB/ -1.155e-01 7.366e-04 5.110e-04 2.821e-04 / CHEB/ -1.243e-02 1.210e-04 8.385e-05 4.621e-05 /

2134.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.8	-12.6	-5.0	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-35.8	-11.6	-4.0	-0.4

H298 (kcal/mol) = 109.00
S298 (cal/mol*K) = 29.23
G298 (kcal/mol) = 100.29

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(29); C7H11(40)(+M)=>H(25)+C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.467e+01 1.998e+00 -1.671e-03 -9.254e-04 / CHEB/ 3.365e+01 -3.653e-04 -2.528e-04 -1.390e-04 / CHEB/ -4.732e-02 2.117e-04 1.470e-04 8.131e-05 / CHEB/ -2.473e-01 1.096e-03 7.607e-04 4.204e-04 / CHEB/ -1.155e-01 7.366e-04 5.110e-04 2.821e-04 / CHEB/ -1.243e-02 1.210e-04 8.385e-05 4.621e-05 /

2135.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+7.2	+8.8	+9.2
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+8.1	+9.8	+10.2

Chebyshev(coeffs=[[0.813512,1.93531,-0.0433533,-0.0225545],[9.07194,0.0199663,0.0132717,0.00680182],[-0.203634,0.000827468,0.000780522,0.000616747],[-0.278283,0.0239244,0.015614,0.00773345],[-0.15093,0.010646,0.00697914,0.00348687],[-0.0443908,-0.00078392,-0.000456436,-0.000172988]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.72
S298 (cal/mol*K) = -3.72
G298 (kcal/mol) = 12.82

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H11(329); C7H11(40)(+M)=>C7H11(329)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.135e-01 1.935e+00 -4.335e-02 -2.255e-02 / CHEB/ 9.072e+00 1.997e-02 1.327e-02 6.802e-03 / CHEB/ -2.036e-01 8.275e-04 7.805e-04 6.167e-04 / CHEB/ -2.783e-01 2.392e-02 1.561e-02 7.733e-03 / CHEB/ -1.509e-01 1.065e-02 6.979e-03 3.487e-03 / CHEB/ -4.439e-02 -7.839e-04 -4.564e-04 -1.730e-04 /

2136.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+8.6	+9.6	+9.5	+9.2
log₁₀(k(10 bar)/[mole,m,s])	+9.3	+10.5	+10.5	+10.2

Chebyshev(coeffs=[[8.34866,1.64291,-0.180033,-0.0486759],[1.35481,0.287965,0.12719,0.0169427],[-0.203325,0.0161013,0.017399,0.0126982],[-0.167193,0.0319882,0.0145843,0.00370402],[-0.0933836,0.000706744,0.00419698,0.00445688],[-0.0361263,-0.0127402,-0.00284023,0.00214501]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.51
S298 (cal/mol*K) = -0.32
G298 (kcal/mol) = 6.60

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H11(321); C7H11(40)(+M)=>C7H11(321)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.349e+00 1.643e+00 -1.800e-01 -4.868e-02 / CHEB/ 1.355e+00 2.880e-01 1.272e-01 1.694e-02 / CHEB/ -2.033e-01 1.610e-02 1.740e-02 1.270e-02 / CHEB/ -1.672e-01 3.199e-02 1.458e-02 3.704e-03 / CHEB/ -9.338e-02 7.067e-04 4.197e-03 4.457e-03 / CHEB/ -3.613e-02 -1.274e-02 -2.840e-03 2.145e-03 /

2137.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	+5.3	+7.8	+8.6
log₁₀(k(10 bar)/[mole,m,s])	-2.9	+6.3	+8.7	+9.6

Chebyshev(coeffs=[[-3.10115,1.95218,-0.0323683,-0.0171376],[12.3007,0.0128416,0.0086974,0.00460944],[-0.0999248,0.000777212,0.000638775,0.000442934],[-0.301123,0.0194849,0.0129324,0.0066103],[-0.131806,0.00883429,0.0058575,0.0029887],[-0.0220493,-0.000673436,-0.000432122,-0.000206596]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.73
S298 (cal/mol*K) = 17.27
G298 (kcal/mol) = 24.58

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H11(307); C7H11(40)(+M)=>C7H11(307)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.101e+00 1.952e+00 -3.237e-02 -1.714e-02 / CHEB/ 1.230e+01 1.284e-02 8.697e-03 4.609e-03 / CHEB/ -9.992e-02 7.772e-04 6.388e-04 4.429e-04 / CHEB/ -3.011e-01 1.948e-02 1.293e-02 6.610e-03 / CHEB/ -1.318e-01 8.834e-03 5.858e-03 2.989e-03 / CHEB/ -2.205e-02 -6.734e-04 -4.321e-04 -2.066e-04 /

2138.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.1	+5.8	+7.3	+7.6
log₁₀(k(10 bar)/[mole,m,s])	+1.1	+6.8	+8.2	+8.6

Chebyshev(coeffs=[[0.554825,1.91432,-0.056613,-0.0287076],[7.53477,0.0362079,0.0233588,0.0113135],[-0.109755,0.000224219,0.000677645,0.00083859],[-0.203983,0.0272054,0.0173687,0.00824036],[-0.134711,0.0111461,0.00727583,0.00360632],[-0.0542583,-0.00157387,-0.000848406,-0.000250753]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.16
S298 (cal/mol*K) = 18.86
G298 (kcal/mol) = 11.54

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H11(330); C7H11(40)(+M)=>C7H11(330)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.548e-01 1.914e+00 -5.661e-02 -2.871e-02 / CHEB/ 7.535e+00 3.621e-02 2.336e-02 1.131e-02 / CHEB/ -1.098e-01 2.242e-04 6.776e-04 8.386e-04 / CHEB/ -2.040e-01 2.721e-02 1.737e-02 8.240e-03 / CHEB/ -1.347e-01 1.115e-02 7.276e-03 3.606e-03 / CHEB/ -5.426e-02 -1.574e-03 -8.484e-04 -2.508e-04 /

2139.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.3	-3.8	+0.3	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-2.8	+1.3	+3.0

Chebyshev(coeffs=[[-16.0938,1.97573,-0.0166461,-0.00902008],[18.5215,0.00782226,0.00537535,0.00292118],[-0.0144521,0.00117561,0.000831357,0.00047347],[-0.22243,0.00995826,0.00675954,0.0035967],[-0.125608,0.00427279,0.00289634,0.00153748],[-0.0270988,-0.000733457,-0.000494095,-0.000259358]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.82
S298 (cal/mol*K) = 1.74
G298 (kcal/mol) = -4.34

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H11(327); C7H11(40)(+M)=>C7H11(327)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.609e+01 1.976e+00 -1.665e-02 -9.020e-03 / CHEB/ 1.852e+01 7.822e-03 5.375e-03 2.921e-03 / CHEB/ -1.445e-02 1.176e-03 8.314e-04 4.735e-04 / CHEB/ -2.224e-01 9.958e-03 6.760e-03 3.597e-03 / CHEB/ -1.256e-01 4.273e-03 2.896e-03 1.537e-03 / CHEB/ -2.710e-02 -7.335e-04 -4.941e-04 -2.594e-04 /

2140.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	+0.3	+2.7	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-8.4	+0.9	+3.6	+4.5

Chebyshev(coeffs=[[-7.09347,-0.153058,-0.265101,0.0212898],[10.7352,1.90147,0.0889125,-0.045844],[0.274178,0.360415,0.0845613,-0.0312364],[-0.211964,-0.132983,0.0152532,0.00139437],[-0.119968,-0.132581,-0.00695467,0.0176724],[-0.0173792,-0.0299769,0.00156248,0.0119393]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.57
S298 (cal/mol*K) = 1.74
G298 (kcal/mol) = -4.09

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H11(222); C7H11(40)(+M)=>C7H11(222)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.093e+00 -1.531e-01 -2.651e-01 2.129e-02 / CHEB/ 1.074e+01 1.901e+00 8.891e-02 -4.584e-02 / CHEB/ 2.742e-01 3.604e-01 8.456e-02 -3.124e-02 / CHEB/ -2.120e-01 -1.330e-01 1.525e-02 1.394e-03 / CHEB/ -1.200e-01 -1.326e-01 -6.955e-03 1.767e-02 / CHEB/ -1.738e-02 -2.998e-02 1.562e-03 1.194e-02 /

2141.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.9	-14.7	-6.6	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-38.9	-13.7	-5.6	-1.8

Chebyshev(coeffs=[[-37.6311,1.99801,-0.00138189,-0.00076573],[35.0769,-0.000276087,-0.000191238,-0.000105328],[0.0327468,0.000189529,0.000131675,7.2883e-05],[-0.165141,0.000877936,0.000609642,0.000337167],[-0.115275,0.000594866,0.000412919,0.000228223],[-0.0285284,0.000102833,7.13388e-05,3.93914e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 112.85
S298 (cal/mol*K) = 22.52
G298 (kcal/mol) = 106.14

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(331); C7H11(40)(+M)=>H(25)+C7H10(331)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.763e+01 1.998e+00 -1.382e-03 -7.657e-04 / CHEB/ 3.508e+01 -2.761e-04 -1.912e-04 -1.053e-04 / CHEB/ 3.275e-02 1.895e-04 1.317e-04 7.288e-05 / CHEB/ -1.651e-01 8.779e-04 6.096e-04 3.372e-04 / CHEB/ -1.153e-01 5.949e-04 4.129e-04 2.282e-04 / CHEB/ -2.853e-02 1.028e-04 7.134e-05 3.939e-05 /

2191.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-1.0	+2.1	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-1.3	+2.0	+3.4

Chebyshev(coeffs=[[-4.67772,-1.17236,-0.234132,0.0110005],[14.2505,0.922338,0.080866,-0.0426793],[0.157301,0.214047,0.100555,-0.00103484],[-0.172339,-0.0112414,0.0262613,0.0137723],[-0.126184,-0.0341583,-0.011206,0.00702749],[-0.0389352,-0.0236879,-0.012828,-0.00148633]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.09
S298 (cal/mol*K) = 23.42
G298 (kcal/mol) = 32.11

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(435); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(435)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.678e+00 -1.172e+00 -2.341e-01 1.100e-02 / CHEB/ 1.425e+01 9.223e-01 8.087e-02 -4.268e-02 / CHEB/ 1.573e-01 2.140e-01 1.006e-01 -1.035e-03 / CHEB/ -1.723e-01 -1.124e-02 2.626e-02 1.377e-02 / CHEB/ -1.262e-01 -3.416e-02 -1.121e-02 7.027e-03 / CHEB/ -3.894e-02 -2.369e-02 -1.283e-02 -1.486e-03 /

2192.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	+0.4	+2.8	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-8.4	-0.1	+2.6	+3.7

Chebyshev(coeffs=[[0.0624798,-1.72648,-0.137598,0.0108037],[9.20708,1.31547,-0.0536695,-0.0302659],[0.736998,0.408292,0.12439,-0.0193706],[-0.157604,0.028464,0.0289727,0.00772089],[-0.130839,-0.0629495,-0.00473479,0.00536939],[-0.0548405,-0.0525182,-0.00817298,0.00425922]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.81
S298 (cal/mol*K) = 0.40
G298 (kcal/mol) = 1.70

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(436); H(25), C7H10(436); C7H9(5)+H(25)(+M)=>C7H10(436)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.248e-02 -1.726e+00 -1.376e-01 1.080e-02 / CHEB/ 9.207e+00 1.315e+00 -5.367e-02 -3.027e-02 / CHEB/ 7.370e-01 4.083e-01 1.244e-01 -1.937e-02 / CHEB/ -1.576e-01 2.846e-02 2.897e-02 7.721e-03 / CHEB/ -1.308e-01 -6.295e-02 -4.735e-03 5.369e-03 / CHEB/ -5.484e-02 -5.252e-02 -8.173e-03 4.259e-03 /

2193.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-0.1	+1.6	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-1.0	+1.2	+2.4

Chebyshev(coeffs=[[1.07818,-1.92994,-0.167517,0.0343243],[6.76415,1.09396,-0.101372,-0.0518119],[0.690516,0.622115,0.143397,-0.0216374],[-0.14574,0.205876,0.0900056,0.0232091],[-0.0892718,0.0206741,0.0146329,0.00220947],[0.02753,-0.0398401,-0.0210605,-0.0168658]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.81
S298 (cal/mol*K) = 0.40
G298 (kcal/mol) = 1.70

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(437); H(25), C7H10(437); C7H9(5)+H(25)(+M)=>C7H10(437)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.078e+00 -1.930e+00 -1.675e-01 3.432e-02 / CHEB/ 6.764e+00 1.094e+00 -1.014e-01 -5.181e-02 / CHEB/ 6.905e-01 6.221e-01 1.434e-01 -2.164e-02 / CHEB/ -1.457e-01 2.059e-01 9.001e-02 2.321e-02 / CHEB/ -8.927e-02 2.067e-02 1.463e-02 2.209e-03 / CHEB/ 2.753e-02 -3.984e-02 -2.106e-02 -1.687e-02 /

2194.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+2.7	+4.2	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+2.0	+3.9	+4.4

Chebyshev(coeffs=[[3.77915,-1.58991,-0.106845,-0.00569402],[6.63891,0.943653,-0.10068,-0.0106325],[0.464241,0.455953,0.0316083,-0.0183015],[-0.232648,0.0922791,0.0579542,-0.00805553],[-0.187318,-0.034938,0.0332951,0.00464935],[-0.0809027,-0.0422704,0.00535751,0.00748408]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.81
S298 (cal/mol*K) = 0.40
G298 (kcal/mol) = 1.70

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(438); H(25), C7H10(438); C7H9(5)+H(25)(+M)=>C7H10(438)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.779e+00 -1.590e+00 -1.068e-01 -5.694e-03 / CHEB/ 6.639e+00 9.437e-01 -1.007e-01 -1.063e-02 / CHEB/ 4.642e-01 4.560e-01 3.161e-02 -1.830e-02 / CHEB/ -2.326e-01 9.228e-02 5.795e-02 -8.056e-03 / CHEB/ -1.873e-01 -3.494e-02 3.330e-02 4.649e-03 / CHEB/ -8.090e-02 -4.227e-02 5.358e-03 7.484e-03 /

2195.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-0.6	+1.6	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-9.0	-1.1	+1.4	+2.5

Chebyshev(coeffs=[[-0.958008,-1.47909,-0.139459,0.000573504],[9.24657,1.01935,-0.0690447,-0.0269681],[0.414805,0.387742,0.0661379,-0.0229009],[-0.131186,0.0375823,0.0587787,-0.0028346],[-0.104204,-0.0526646,0.0183459,0.00886511],[-0.0224373,-0.0433612,-0.0060144,0.00638835]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.81
S298 (cal/mol*K) = 0.40
G298 (kcal/mol) = 1.70

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(439); H(25), C7H10(439); C7H9(5)+H(25)(+M)=>C7H10(439)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.580e-01 -1.479e+00 -1.395e-01 5.735e-04 / CHEB/ 9.247e+00 1.019e+00 -6.904e-02 -2.697e-02 / CHEB/ 4.148e-01 3.877e-01 6.614e-02 -2.290e-02 / CHEB/ -1.312e-01 3.758e-02 5.878e-02 -2.835e-03 / CHEB/ -1.042e-01 -5.266e-02 1.835e-02 8.865e-03 / CHEB/ -2.244e-02 -4.336e-02 -6.014e-03 6.388e-03 /

2196.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.0	-2.4	+1.7	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-16.6	-2.6	+1.7	+3.5

Chebyshev(coeffs=[[-9.20522,-0.708956,-0.276174,-0.0340161],[19.0889,0.631492,0.201619,-0.00743195],[-0.06926,0.120694,0.0736498,0.0231768],[-0.187414,-0.0393495,-0.000796478,0.011329],[-0.0962277,-0.0365441,-0.0160254,-0.000459556],[-0.0294741,-0.0145911,-0.00957822,-0.00346464]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.37
S298 (cal/mol*K) = 36.68
G298 (kcal/mol) = 50.44

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H6(408); H(25), C3H4(73); C7H9(5)+H(25)(+M)=>C3H4(73)+C4H6(408)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.205e+00 -7.090e-01 -2.762e-01 -3.402e-02 / CHEB/ 1.909e+01 6.315e-01 2.016e-01 -7.432e-03 / CHEB/ -6.926e-02 1.207e-01 7.365e-02 2.318e-02 / CHEB/ -1.874e-01 -3.935e-02 -7.965e-04 1.133e-02 / CHEB/ -9.623e-02 -3.654e-02 -1.603e-02 -4.596e-04 / CHEB/ -2.947e-02 -1.459e-02 -9.578e-03 -3.465e-03 /

2197.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+3.1	+4.3	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-2.7	+2.4	+3.9	+4.2

Chebyshev(coeffs=[[5.39038,-1.65671,-0.0947957,-0.00712514],[4.819,0.844007,-0.111208,-0.00657934],[0.525407,0.476611,0.00438422,-0.0147146],[-0.249131,0.137816,0.0458066,-0.010323],[-0.207543,-0.0100094,0.0369602,0.000178335],[-0.0910748,-0.0362283,0.0132882,0.00559258]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.71
S298 (cal/mol*K) = -9.09
G298 (kcal/mol) = -11.00

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(440); H(25), C7H10(440); C7H9(5)+H(25)(+M)=>C7H10(440)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.390e+00 -1.657e+00 -9.480e-02 -7.125e-03 / CHEB/ 4.819e+00 8.440e-01 -1.112e-01 -6.579e-03 / CHEB/ 5.254e-01 4.766e-01 4.384e-03 -1.471e-02 / CHEB/ -2.491e-01 1.378e-01 4.581e-02 -1.032e-02 / CHEB/ -2.075e-01 -1.001e-02 3.696e-02 1.783e-04 / CHEB/ -9.107e-02 -3.623e-02 1.329e-02 5.593e-03 /

2198.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+4.3	+5.0	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-0.0	+3.4	+4.5	+4.5

Chebyshev(coeffs=[[7.83231,-1.73519,-0.0849803,-0.008793],[2.89036,0.712458,-0.11533,-0.000530954],[0.415311,0.45949,-0.0215607,-0.0125944],[-0.238925,0.178889,0.0264073,-0.0101638],[-0.220491,0.0255373,0.0336381,-0.00282906],[-0.105151,-0.0221597,0.0193269,0.00242423]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.11
S298 (cal/mol*K) = -3.62
G298 (kcal/mol) = -48.03

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(441); H(25), C7H10(441); C7H9(5)+H(25)(+M)=>C7H10(441)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.832e+00 -1.735e+00 -8.498e-02 -8.793e-03 / CHEB/ 2.890e+00 7.125e-01 -1.153e-01 -5.310e-04 / CHEB/ 4.153e-01 4.595e-01 -2.156e-02 -1.259e-02 / CHEB/ -2.389e-01 1.789e-01 2.641e-02 -1.016e-02 / CHEB/ -2.205e-01 2.554e-02 3.364e-02 -2.829e-03 / CHEB/ -1.052e-01 -2.216e-02 1.933e-02 2.424e-03 /

2199.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.1	-14.6	-6.7	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-39.1	-14.6	-6.7	-3.0

Chebyshev(coeffs=[[-31.2783,-0.0575007,-0.0385084,-0.0200444],[34.7398,0.0487368,0.0323472,0.0165745],[-0.251881,0.00391248,0.00269829,0.00147647],[-0.143436,-0.0088703,-0.00585315,-0.00297016],[-0.051208,-0.0013131,-0.000998317,-0.000624923],[-0.0150182,0.00124302,0.000801262,0.000387889]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 105.44
S298 (cal/mol*K) = 38.02
G298 (kcal/mol) = 94.11

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(442); H(25), CH2(T)(82); C7H9(5)+H(25)(+M)=>CH2(T)(82)+C6H8(442)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.128e+01 -5.750e-02 -3.851e-02 -2.004e-02 / CHEB/ 3.474e+01 4.874e-02 3.235e-02 1.657e-02 / CHEB/ -2.519e-01 3.912e-03 2.698e-03 1.476e-03 / CHEB/ -1.434e-01 -8.870e-03 -5.853e-03 -2.970e-03 / CHEB/ -5.121e-02 -1.313e-03 -9.983e-04 -6.249e-04 / CHEB/ -1.502e-02 1.243e-03 8.013e-04 3.879e-04 /

2200.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.2	+2.0	+3.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-5.5	+1.3	+3.1	+3.4

Chebyshev(coeffs=[[2.43864,-1.95628,-0.273676,-0.0425108],[7.37414,1.31209,0.0361846,0.00458943],[0.254421,0.420826,0.0520889,0.00215663],[-0.313525,0.0309869,0.0268087,-0.0200987],[-0.202447,-0.035723,0.0270832,0.00031611],[-0.0851482,-0.0341242,0.00801394,0.00938007]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.43
S298 (cal/mol*K) = -0.82
G298 (kcal/mol) = 13.68

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(443); H(25), C7H10(443); C7H9(5)+H(25)(+M)=>C7H10(443)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.439e+00 -1.956e+00 -2.737e-01 -4.251e-02 / CHEB/ 7.374e+00 1.312e+00 3.618e-02 4.589e-03 / CHEB/ 2.544e-01 4.208e-01 5.209e-02 2.157e-03 / CHEB/ -3.135e-01 3.099e-02 2.681e-02 -2.010e-02 / CHEB/ -2.024e-01 -3.572e-02 2.708e-02 3.161e-04 / CHEB/ -8.515e-02 -3.412e-02 8.014e-03 9.380e-03 /

2201.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+4.2	+6.2	+6.9
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+3.6	+6.1	+6.9

Chebyshev(coeffs=[[3.78981,-1.47959,-0.130952,0.000244213],[9.03048,1.03687,-0.0685322,-0.021333],[0.451318,0.397615,0.0711371,-0.0197056],[-0.188013,0.0349948,0.0638737,-0.000115162],[-0.156761,-0.0559085,0.0206888,0.0109671],[-0.064099,-0.0429806,-0.00545488,0.00771289]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.47
S298 (cal/mol*K) = 33.02
G298 (kcal/mol) = 8.63

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H6(415); H(25), C3H4(73); C7H9(5)+H(25)(+M)=>C3H4(73)+C4H6(415)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.790e+00 -1.480e+00 -1.310e-01 2.442e-04 / CHEB/ 9.030e+00 1.037e+00 -6.853e-02 -2.133e-02 / CHEB/ 4.513e-01 3.976e-01 7.114e-02 -1.971e-02 / CHEB/ -1.880e-01 3.499e-02 6.387e-02 -1.152e-04 / CHEB/ -1.568e-01 -5.591e-02 2.069e-02 1.097e-02 / CHEB/ -6.410e-02 -4.298e-02 -5.455e-03 7.713e-03 /

2202.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	+1.5	+3.4	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-6.6	+0.6	+2.7	+3.5

Chebyshev(coeffs=[[1.35398,-1.94195,-0.156364,0.00354008],[8.49534,0.958586,-0.157003,0.011187],[0.335504,0.219706,0.10229,-0.0239286],[-0.322303,0.102842,0.0237174,-0.00534749],[-0.147783,0.0978071,-0.00146805,-0.00494845],[-0.0706354,0.065652,0.00381089,-0.00414086]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.45
S298 (cal/mol*K) = 1.21
G298 (kcal/mol) = 4.09

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(409); H(25), C7H10(409); C7H9(5)+H(25)(+M)=>C7H10(409)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.354e+00 -1.942e+00 -1.564e-01 3.540e-03 / CHEB/ 8.495e+00 9.586e-01 -1.570e-01 1.119e-02 / CHEB/ 3.355e-01 2.197e-01 1.023e-01 -2.393e-02 / CHEB/ -3.223e-01 1.028e-01 2.372e-02 -5.347e-03 / CHEB/ -1.478e-01 9.781e-02 -1.468e-03 -4.948e-03 / CHEB/ -7.064e-02 6.565e-02 3.811e-03 -4.141e-03 /

2203.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.5	+2.1	+3.9	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-5.6	+1.5	+3.7	+4.3

Chebyshev(coeffs=[[2.42741,-1.53656,-0.118519,-0.00288519],[7.9153,0.997888,-0.0865313,-0.0152992],[0.428011,0.427862,0.0522929,-0.0199255],[-0.21174,0.0626698,0.0625479,-0.00445556],[-0.171941,-0.0461427,0.0278415,0.00802851],[-0.0721235,-0.0428436,-9.65759e-05,0.00810119]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.45
S298 (cal/mol*K) = 1.21
G298 (kcal/mol) = 4.09

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(410); H(25), C7H10(410); C7H9(5)+H(25)(+M)=>C7H10(410)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.427e+00 -1.537e+00 -1.185e-01 -2.885e-03 / CHEB/ 7.915e+00 9.979e-01 -8.653e-02 -1.530e-02 / CHEB/ 4.280e-01 4.279e-01 5.229e-02 -1.993e-02 / CHEB/ -2.117e-01 6.267e-02 6.255e-02 -4.456e-03 / CHEB/ -1.719e-01 -4.614e-02 2.784e-02 8.029e-03 / CHEB/ -7.212e-02 -4.284e-02 -9.658e-05 8.101e-03 /

2204.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	+1.8	+4.6	+6.0
log₁₀(k(10 bar)/[mole,m,s])	-6.3	+1.3	+4.4	+5.9

Chebyshev(coeffs=[[2.64891,-1.56787,-0.0601092,0.0243246],[7.85623,1.20554,-0.144513,-0.0674062],[1.41262,0.28079,0.00779608,-0.0502658],[0.0392458,-0.0358725,0.0637615,0.034902],[-0.0444624,-0.0336897,0.0346975,0.0107006],[-0.0114296,-0.0320986,0.00062129,-0.00576543]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.59
S298 (cal/mol*K) = 1.15
G298 (kcal/mol) = -2.93

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(444); H(25), C7H10(444); C7H9(5)+H(25)(+M)=>C7H10(444)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.649e+00 -1.568e+00 -6.011e-02 2.432e-02 / CHEB/ 7.856e+00 1.206e+00 -1.445e-01 -6.741e-02 / CHEB/ 1.413e+00 2.808e-01 7.796e-03 -5.027e-02 / CHEB/ 3.925e-02 -3.587e-02 6.376e-02 3.490e-02 / CHEB/ -4.446e-02 -3.369e-02 3.470e-02 1.070e-02 / CHEB/ -1.143e-02 -3.210e-02 6.213e-04 -5.765e-03 /

2205.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	+1.6	+3.2	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-5.5	+0.9	+2.9	+3.4

Chebyshev(coeffs=[[2.57436,-1.58203,-0.108674,-0.00541055],[6.85258,0.953196,-0.098984,-0.0113008],[0.456152,0.451694,0.0348085,-0.0187563],[-0.228288,0.0872282,0.0588204,-0.00757701],[-0.184872,-0.0371479,0.032498,0.00518273],[-0.0790898,-0.0426632,0.00441938,0.0076316]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.55
S298 (cal/mol*K) = -2.66
G298 (kcal/mol) = 11.35

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(445); H(25), C7H10(445); C7H9(5)+H(25)(+M)=>C7H10(445)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.574e+00 -1.582e+00 -1.087e-01 -5.411e-03 / CHEB/ 6.853e+00 9.532e-01 -9.898e-02 -1.130e-02 / CHEB/ 4.562e-01 4.517e-01 3.481e-02 -1.876e-02 / CHEB/ -2.283e-01 8.723e-02 5.882e-02 -7.577e-03 / CHEB/ -1.849e-01 -3.715e-02 3.250e-02 5.183e-03 / CHEB/ -7.909e-02 -4.266e-02 4.419e-03 7.632e-03 /

2206.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.5	+5.9	+6.8	+6.8
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+5.8	+6.9	+7.1

Chebyshev(coeffs=[[8.3503,-0.573481,-0.0471365,0.0141292],[4.45657,1.24998,-0.245468,-0.00203236],[0.377676,-0.0245115,0.0134228,0.0160652],[-0.336658,0.0581317,0.089824,-0.0159521],[-0.192843,0.0915396,-0.0320307,-0.00410047],[-0.0911662,0.0524545,-0.024985,0.00532496]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -46.47
S298 (cal/mol*K) = -2.81
G298 (kcal/mol) = -45.63

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(402); H(25), C7H10(402); C7H9(5)+H(25)(+M)=>C7H10(402)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.350e+00 -5.735e-01 -4.714e-02 1.413e-02 / CHEB/ 4.457e+00 1.250e+00 -2.455e-01 -2.032e-03 / CHEB/ 3.777e-01 -2.451e-02 1.342e-02 1.607e-02 / CHEB/ -3.367e-01 5.813e-02 8.982e-02 -1.595e-02 / CHEB/ -1.928e-01 9.154e-02 -3.203e-02 -4.100e-03 / CHEB/ -9.117e-02 5.245e-02 -2.499e-02 5.325e-03 /

2207.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.6	+6.8	+6.8	+6.1
log₁₀(k(10 bar)/[mole,m,s])	+3.5	+6.3	+6.7	+6.4

Chebyshev(coeffs=[[10.8211,-1.31662,-0.158563,-0.00205006],[1.72767,1.294,-0.176314,-0.00749413],[-0.0234005,0.656732,0.00164554,-0.0229294],[-0.344159,0.16986,0.0495656,-0.00388349],[-0.215237,-0.0157252,0.0263297,0.00845531],[-0.0790416,-0.0374243,0.0018695,0.00435561]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -73.85
S298 (cal/mol*K) = -14.31
G298 (kcal/mol) = -69.58

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(446); H(25), C7H10(446); C7H9(5)+H(25)(+M)=>C7H10(446)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.082e+01 -1.317e+00 -1.586e-01 -2.050e-03 / CHEB/ 1.728e+00 1.294e+00 -1.763e-01 -7.494e-03 / CHEB/ -2.340e-02 6.567e-01 1.646e-03 -2.293e-02 / CHEB/ -3.442e-01 1.699e-01 4.957e-02 -3.883e-03 / CHEB/ -2.152e-01 -1.573e-02 2.633e-02 8.455e-03 / CHEB/ -7.904e-02 -3.742e-02 1.870e-03 4.356e-03 /

2208.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.1	+5.9	+5.8	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+5.6	+6.5	+6.5	+6.1

Chebyshev(coeffs=[[11.0921,1.23015,-0.111917,0.0271471],[0.545937,0.32159,-0.0177181,-0.0210061],[-0.0919256,0.125027,0.00304741,-0.0228336],[-0.193504,0.0877807,0.0110618,-0.00325456],[-0.152654,0.0437771,0.0124539,0.00190524],[-0.0719382,0.00980704,0.0108954,0.000762712]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -32.34
S298 (cal/mol*K) = -19.32
G298 (kcal/mol) = -26.58

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(40); H(25), C7H11(40); C7H10(65)+H(25)(+M)=>C7H11(40)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.109e+01 1.230e+00 -1.119e-01 2.715e-02 / CHEB/ 5.459e-01 3.216e-01 -1.772e-02 -2.101e-02 / CHEB/ -9.193e-02 1.250e-01 3.047e-03 -2.283e-02 / CHEB/ -1.935e-01 8.778e-02 1.106e-02 -3.255e-03 / CHEB/ -1.527e-01 4.378e-02 1.245e-02 1.905e-03 / CHEB/ -7.194e-02 9.807e-03 1.090e-02 7.627e-04 /

2209.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+2.5	+3.0	+3.2
log₁₀(k(10 bar)/[mole,m,s])	+0.9	+2.5	+3.4	+3.8

Chebyshev(coeffs=[[7.59332,-0.886515,-0.560378,0.0942488],[1.01639,1.9955,0.195338,-0.147436],[0.119364,0.374505,0.0506108,-0.0492005],[0.125225,-0.0171598,-0.00730538,-0.00214589],[0.0496349,-0.0417704,0.0117854,0.0150993],[-0.0289295,-0.00145322,0.0205157,0.00846264]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -45.19
S298 (cal/mol*K) = -29.41
G298 (kcal/mol) = -36.42

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(22); H(25), C7H11(22); C7H10(65)+H(25)(+M)=>C7H11(22)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.593e+00 -8.865e-01 -5.604e-01 9.425e-02 / CHEB/ 1.016e+00 1.995e+00 1.953e-01 -1.474e-01 / CHEB/ 1.194e-01 3.745e-01 5.061e-02 -4.920e-02 / CHEB/ 1.252e-01 -1.716e-02 -7.305e-03 -2.146e-03 / CHEB/ 4.963e-02 -4.177e-02 1.179e-02 1.510e-02 / CHEB/ -2.893e-02 -1.453e-03 2.052e-02 8.463e-03 /

2210.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.9	+5.4	+4.9	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+4.3	+5.3	+5.3	+5.1

Chebyshev(coeffs=[[10.0555,-0.193219,-0.616962,-0.0251535],[0.64041,1.19722,0.15763,-0.0783854],[-0.316167,0.370507,0.112452,-0.0118867],[-0.187768,0.163,0.065281,0.0107198],[-0.0668517,0.0281487,0.028417,0.0136353],[-0.0407956,-0.0215154,0.00473414,0.00652445]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.44
S298 (cal/mol*K) = -4.42
G298 (kcal/mol) = -18.12

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(46); H(25), C7H11(46); C7H10(65)+H(25)(+M)=>C7H11(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.006e+01 -1.932e-01 -6.170e-01 -2.515e-02 / CHEB/ 6.404e-01 1.197e+00 1.576e-01 -7.839e-02 / CHEB/ -3.162e-01 3.705e-01 1.125e-01 -1.189e-02 / CHEB/ -1.878e-01 1.630e-01 6.528e-02 1.072e-02 / CHEB/ -6.685e-02 2.815e-02 2.842e-02 1.364e-02 / CHEB/ -4.080e-02 -2.152e-02 4.734e-03 6.524e-03 /

2211.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.8	+6.4	+6.8	+6.8
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+5.6	+6.4	+6.6

Chebyshev(coeffs=[[10.4777,-1.96867,-0.590111,-0.0296858],[2.04251,1.22555,0.207676,-0.0650124],[0.197862,0.276853,0.109376,-0.00608856],[-0.0198983,0.116568,0.0499364,0.00824522],[-0.0690165,0.0257353,0.0236967,0.013012],[-0.0611349,-0.0129539,0.00663547,0.00767633]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.33
S298 (cal/mol*K) = 24.67
G298 (kcal/mol) = -25.68

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C5H7(210); H(25), C2H4(115); C7H10(65)+H(25)(+M)=>C5H7(210)+C2H4(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.048e+01 -1.969e+00 -5.901e-01 -2.969e-02 / CHEB/ 2.043e+00 1.226e+00 2.077e-01 -6.501e-02 / CHEB/ 1.979e-01 2.769e-01 1.094e-01 -6.089e-03 / CHEB/ -1.990e-02 1.166e-01 4.994e-02 8.245e-03 / CHEB/ -6.902e-02 2.574e-02 2.370e-02 1.301e-02 / CHEB/ -6.113e-02 -1.295e-02 6.635e-03 7.676e-03 /

2212.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	-0.2	+1.4	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-4.4	-0.4	+1.2	+2.0

Chebyshev(coeffs=[[3.02588,-0.825859,-0.0590429,0.0426292],[4.30218,0.71987,-0.0813979,-0.0677944],[0.724822,-0.0277734,0.0685126,-0.000184192],[0.0627804,0.0306405,0.020796,0.00649548],[-0.0475982,0.0398724,0.00678399,0.00201268],[-0.03724,0.00944883,0.00585902,0.00102327]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.96
S298 (cal/mol*K) = -19.86
G298 (kcal/mol) = 3.96

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(1); H(25), H(25); C7H10(65)+H(25)(+M)=>C7H10(1)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.026e+00 -8.259e-01 -5.904e-02 4.263e-02 / CHEB/ 4.302e+00 7.199e-01 -8.140e-02 -6.779e-02 / CHEB/ 7.248e-01 -2.777e-02 6.851e-02 -1.842e-04 / CHEB/ 6.278e-02 3.064e-02 2.080e-02 6.495e-03 / CHEB/ -4.760e-02 3.987e-02 6.784e-03 2.013e-03 / CHEB/ -3.724e-02 9.449e-03 5.859e-03 1.023e-03 /

2213.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+2.6	+3.9	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+2.3	+3.8	+4.4

Chebyshev(coeffs=[[5.99924,-0.938208,-0.0429467,0.0597844],[3.88916,0.846565,-0.109904,-0.0920168],[0.574469,-0.0669641,0.0679256,0.00763355],[0.0162114,0.0269065,0.0255001,0.00485926],[-0.0696025,0.0468265,0.00548846,0.000936824],[-0.047029,0.0131696,0.00489792,0.000927288]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -32.34
S298 (cal/mol*K) = -20.70
G298 (kcal/mol) = -26.17

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(220); H(25), C7H11(220); C7H10(65)+H(25)(+M)=>C7H11(220)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.999e+00 -9.382e-01 -4.295e-02 5.978e-02 / CHEB/ 3.889e+00 8.466e-01 -1.099e-01 -9.202e-02 / CHEB/ 5.745e-01 -6.696e-02 6.793e-02 7.634e-03 / CHEB/ 1.621e-02 2.691e-02 2.550e-02 4.859e-03 / CHEB/ -6.960e-02 4.683e-02 5.488e-03 9.368e-04 / CHEB/ -4.703e-02 1.317e-02 4.898e-03 9.273e-04 /

2214.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	+1.2	+2.7	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-3.4	+0.9	+2.6	+3.4

Chebyshev(coeffs=[[3.63413,-0.503063,-0.141641,0.00545177],[5.2988,0.296028,0.0471512,-0.0207806],[0.484698,0.0735642,0.0239619,-0.00626972],[0.0174942,0.049304,0.0174498,0.00222734],[-0.0523813,0.0278336,0.0116675,0.00216652],[-0.0372012,0.00443243,0.00626023,0.00191882]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.79
S298 (cal/mol*K) = -22.41
G298 (kcal/mol) = -15.11

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(219); H(25), C7H11(219); C7H10(65)+H(25)(+M)=>C7H11(219)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.634e+00 -5.031e-01 -1.416e-01 5.452e-03 / CHEB/ 5.299e+00 2.960e-01 4.715e-02 -2.078e-02 / CHEB/ 4.847e-01 7.356e-02 2.396e-02 -6.270e-03 / CHEB/ 1.749e-02 4.930e-02 1.745e-02 2.227e-03 / CHEB/ -5.238e-02 2.783e-02 1.167e-02 2.167e-03 / CHEB/ -3.720e-02 4.432e-03 6.260e-03 1.919e-03 /

2215.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.9	-6.5	-1.8	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-21.0	-6.6	-1.8	+0.5

Chebyshev(coeffs=[[-13.8083,-0.0915137,-0.0437835,-0.00971842],[20.3792,0.0166292,0.00620909,0.000353126],[-0.0595581,0.0407216,0.0152559,-0.00126044],[-0.0199602,0.0268571,0.0128711,0.00264408],[-0.0231339,0.0066073,0.00651331,0.00442382],[-0.0118353,-0.0027015,0.000814079,0.0021773]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.11
S298 (cal/mol*K) = 11.62
G298 (kcal/mol) = 62.65

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(31); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.381e+01 -9.151e-02 -4.378e-02 -9.718e-03 / CHEB/ 2.038e+01 1.663e-02 6.209e-03 3.531e-04 / CHEB/ -5.956e-02 4.072e-02 1.526e-02 -1.260e-03 / CHEB/ -1.996e-02 2.686e-02 1.287e-02 2.644e-03 / CHEB/ -2.313e-02 6.607e-03 6.513e-03 4.424e-03 / CHEB/ -1.184e-02 -2.702e-03 8.141e-04 2.177e-03 /

2216.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.8	-6.3	-1.6	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-20.9	-6.4	-1.6	+0.7

Chebyshev(coeffs=[[-13.6932,-0.0915137,-0.0437835,-0.00971842],[20.4861,0.0166292,0.00620909,0.000353126],[-0.0359596,0.0407216,0.0152559,-0.00126044],[-0.0130124,0.0268571,0.0128711,0.00264408],[-0.0208335,0.0066073,0.00651331,0.00442382],[-0.0110249,-0.0027015,0.000814079,0.0021773]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.11
S298 (cal/mol*K) = 13.00
G298 (kcal/mol) = 62.24

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(35); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.369e+01 -9.151e-02 -4.378e-02 -9.718e-03 / CHEB/ 2.049e+01 1.663e-02 6.209e-03 3.531e-04 / CHEB/ -3.596e-02 4.072e-02 1.526e-02 -1.260e-03 / CHEB/ -1.301e-02 2.686e-02 1.287e-02 2.644e-03 / CHEB/ -2.083e-02 6.607e-03 6.513e-03 4.424e-03 / CHEB/ -1.102e-02 -2.702e-03 8.141e-04 2.177e-03 /

2217.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.4	-5.2	-1.2	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-17.5	-5.3	-1.3	+0.7

Chebyshev(coeffs=[[-10.3496,-0.117365,-0.0547255,-0.0134972],[17.0259,0.0193651,0.00634441,0.00225058],[0.0837581,0.0420371,0.0150976,-0.00171767],[-0.000207751,0.0364657,0.0164354,0.0023342],[-0.0237577,0.0137843,0.00948715,0.00413367],[-0.0128527,-0.00135589,0.00181002,0.00248686]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 53.26
S298 (cal/mol*K) = 4.29
G298 (kcal/mol) = 51.99

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(28); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.035e+01 -1.174e-01 -5.473e-02 -1.350e-02 / CHEB/ 1.703e+01 1.937e-02 6.344e-03 2.251e-03 / CHEB/ 8.376e-02 4.204e-02 1.510e-02 -1.718e-03 / CHEB/ -2.078e-04 3.647e-02 1.644e-02 2.334e-03 / CHEB/ -2.376e-02 1.378e-02 9.487e-03 4.134e-03 / CHEB/ -1.285e-02 -1.356e-03 1.810e-03 2.487e-03 /

2218.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-4.4	-1.1	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-14.0	-4.5	-1.2	+0.4

Chebyshev(coeffs=[[-6.91252,-0.174629,-0.0808426,-0.0232069],[13.1006,0.046791,0.0196932,0.0109702],[0.240115,0.0457673,0.016302,-0.00194103],[0.0269263,0.0456368,0.0185239,0.000808316],[-0.0243813,0.0208596,0.0112286,0.00276378],[-0.0168514,0.00024042,0.00282981,0.00259771]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.41
S298 (cal/mol*K) = -5.80
G298 (kcal/mol) = 42.14

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(33); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.913e+00 -1.746e-01 -8.084e-02 -2.321e-02 / CHEB/ 1.310e+01 4.679e-02 1.969e-02 1.097e-02 / CHEB/ 2.401e-01 4.577e-02 1.630e-02 -1.941e-03 / CHEB/ 2.693e-02 4.564e-02 1.852e-02 8.083e-04 / CHEB/ -2.438e-02 2.086e-02 1.123e-02 2.764e-03 / CHEB/ -1.685e-02 2.404e-04 2.830e-03 2.598e-03 /

2219.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.4	-9.6	-4.0	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-26.5	-9.7	-4.1	-1.3

Chebyshev(coeffs=[[-19.0168,-0.0757363,-0.0379183,-0.00934233],[23.7269,0.0176358,0.0080609,0.00130264],[0.00143292,0.0375133,0.0152397,-1.48865e-05],[-0.00300117,0.0198523,0.00994022,0.00245397],[-0.0151672,0.00201622,0.00388205,0.00376491],[-0.00680049,-0.00340938,-2.69616e-05,0.00165168]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.66
S298 (cal/mol*K) = 9.91
G298 (kcal/mol) = 73.71

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(30); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.902e+01 -7.574e-02 -3.792e-02 -9.342e-03 / CHEB/ 2.373e+01 1.764e-02 8.061e-03 1.303e-03 / CHEB/ 1.433e-03 3.751e-02 1.524e-02 -1.489e-05 / CHEB/ -3.001e-03 1.985e-02 9.940e-03 2.454e-03 / CHEB/ -1.517e-02 2.016e-03 3.882e-03 3.765e-03 / CHEB/ -6.800e-03 -3.409e-03 -2.696e-05 1.652e-03 /

2220.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.4	-9.6	-4.0	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-26.5	-9.7	-4.1	-1.3

H298 (kcal/mol) = 76.66
S298 (cal/mol*K) = 9.91
G298 (kcal/mol) = 73.71

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(29); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.902e+01 -7.574e-02 -3.792e-02 -9.342e-03 / CHEB/ 2.373e+01 1.764e-02 8.061e-03 1.303e-03 / CHEB/ 1.433e-03 3.751e-02 1.524e-02 -1.489e-05 / CHEB/ -3.001e-03 1.985e-02 9.940e-03 2.454e-03 / CHEB/ -1.517e-02 2.016e-03 3.882e-03 3.765e-03 / CHEB/ -6.800e-03 -3.409e-03 -2.696e-05 1.652e-03 /

2221.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.6	+2.8	+3.1	+2.8
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+3.4	+3.8	+3.7

Chebyshev(coeffs=[[7.81062,1.24258,-0.125011,0.0199616],[1.03919,0.369271,0.00226008,-0.0157385],[0.121109,0.116189,0.00542865,-0.0245525],[-0.0444133,0.0785391,0.0141332,-0.00243856],[-0.129752,0.0394689,0.014027,0.00311909],[-0.114232,0.00740537,0.0101863,0.00132356]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.62
S298 (cal/mol*K) = -23.04
G298 (kcal/mol) = -13.75

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(329); H(25), C7H11(329); C7H10(65)+H(25)(+M)=>C7H11(329)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.811e+00 1.243e+00 -1.250e-01 1.996e-02 / CHEB/ 1.039e+00 3.693e-01 2.260e-03 -1.574e-02 / CHEB/ 1.211e-01 1.162e-01 5.429e-03 -2.455e-02 / CHEB/ -4.441e-02 7.854e-02 1.413e-02 -2.439e-03 / CHEB/ -1.298e-01 3.947e-02 1.403e-02 3.119e-03 / CHEB/ -1.142e-01 7.405e-03 1.019e-02 1.324e-03 /

2222.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.4	+4.7	+4.4	+4.1
log₁₀(k(10 bar)/[mole,m,s])	+4.8	+5.2	+5.2	+4.9

Chebyshev(coeffs=[[10.0457,1.19027,-0.129915,0.0283877],[0.419197,0.332165,-0.0187986,-0.0238517],[-0.294583,0.141234,0.0108706,-0.0244911],[-0.120513,0.0887722,0.0127804,-0.0043689],[-0.0568049,0.0413567,0.0118327,0.001351],[-0.0453762,0.00880227,0.0108404,0.00107877]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.83
S298 (cal/mol*K) = -19.64
G298 (kcal/mol) = -19.98

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(321); H(25), C7H11(321); C7H10(65)+H(25)(+M)=>C7H11(321)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.005e+01 1.190e+00 -1.299e-01 2.839e-02 / CHEB/ 4.192e-01 3.322e-01 -1.880e-02 -2.385e-02 / CHEB/ -2.946e-01 1.412e-01 1.087e-02 -2.449e-02 / CHEB/ -1.205e-01 8.877e-02 1.278e-02 -4.369e-03 / CHEB/ -5.680e-02 4.136e-02 1.183e-02 1.351e-03 / CHEB/ -4.538e-02 8.802e-03 1.084e-02 1.079e-03 /

2223.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+5.4	+5.9	+5.9
log₁₀(k(10 bar)/[mole,m,s])	+2.3	+5.7	+6.6	+6.8

Chebyshev(coeffs=[[8.43609,0.330921,-0.334331,0.0169835],[3.60077,1.11484,0.0210784,-0.0766546],[0.0304758,0.255687,0.103017,-0.0241356],[-0.152066,0.0697855,0.0526964,0.011946],[-0.0765173,-0.00275824,0.0191326,0.0143281],[-0.0423511,-0.0123498,0.00335762,0.00679719]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.61
S298 (cal/mol*K) = -2.05
G298 (kcal/mol) = -1.99

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(307); H(25), C7H11(307); C7H10(65)+H(25)(+M)=>C7H11(307)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.436e+00 3.309e-01 -3.343e-01 1.698e-02 / CHEB/ 3.601e+00 1.115e+00 2.108e-02 -7.665e-02 / CHEB/ 3.048e-02 2.557e-01 1.030e-01 -2.414e-02 / CHEB/ -1.521e-01 6.979e-02 5.270e-02 1.195e-02 / CHEB/ -7.652e-02 -2.758e-03 1.913e-02 1.433e-02 / CHEB/ -4.235e-02 -1.235e-02 3.358e-03 6.797e-03 /

2224.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.3	+6.0	+6.1	+5.7
log₁₀(k(10 bar)/[mole,m,s])	+3.8	+5.7	+6.2	+6.2

Chebyshev(coeffs=[[10.3355,-0.345704,-0.225238,0.0368702],[1.49003,0.862606,-0.121527,-0.028227],[-0.0543315,0.409251,-0.0308997,-0.0318506],[-0.195436,0.225527,0.00761671,-0.0139701],[-0.131421,0.094923,0.0254266,-0.00863177],[-0.0710851,0.0169486,0.0263031,-0.00441006]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.18
S298 (cal/mol*K) = -0.46
G298 (kcal/mol) = -15.04

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(330); H(25), C7H11(330); C7H10(65)+H(25)(+M)=>C7H11(330)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.034e+01 -3.457e-01 -2.252e-01 3.687e-02 / CHEB/ 1.490e+00 8.626e-01 -1.215e-01 -2.823e-02 / CHEB/ -5.433e-02 4.093e-01 -3.090e-02 -3.185e-02 / CHEB/ -1.954e-01 2.255e-01 7.617e-03 -1.397e-02 / CHEB/ -1.314e-01 9.492e-02 2.543e-02 -8.632e-03 / CHEB/ -7.109e-02 1.695e-02 2.630e-02 -4.410e-03 /

2225.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.7	+3.1	+4.0	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+2.1	+3.5	+4.2

Chebyshev(coeffs=[[6.57401,-2.19146,-0.548266,-0.00771733],[3.24749,1.36766,0.161418,-0.0608946],[0.411366,0.198644,0.124037,0.00867681],[0.0540801,0.0614652,0.0226281,0.0148535],[-0.00460116,0.0816811,-0.00735584,-0.006778],[-0.0456479,0.0540186,0.0071126,-0.0116346]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.16
S298 (cal/mol*K) = -17.58
G298 (kcal/mol) = -30.92

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(327); H(25), C7H11(327); C7H10(65)+H(25)(+M)=>C7H11(327)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.574e+00 -2.191e+00 -5.483e-01 -7.717e-03 / CHEB/ 3.247e+00 1.368e+00 1.614e-01 -6.089e-02 / CHEB/ 4.114e-01 1.986e-01 1.240e-01 8.677e-03 / CHEB/ 5.408e-02 6.147e-02 2.263e-02 1.485e-02 / CHEB/ -4.601e-03 8.168e-02 -7.356e-03 -6.778e-03 / CHEB/ -4.565e-02 5.402e-02 7.113e-03 -1.163e-02 /

2226.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.1	+6.7	+6.4	+5.8
log₁₀(k(10 bar)/[mole,m,s])	+6.1	+6.9	+6.8	+6.5

Chebyshev(coeffs=[[11.6322,0.600051,-0.394494,-0.0264868],[0.526394,0.491883,0.0427797,-0.027193],[-0.230293,0.183443,0.0300509,-0.0178518],[-0.197664,0.162869,0.0340502,-0.00605769],[-0.123122,0.0850161,0.0256562,0.00101009],[-0.0581434,0.012541,0.0134481,0.00279851]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.91
S298 (cal/mol*K) = -17.58
G298 (kcal/mol) = -30.67

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(222); H(25), C7H11(222); C7H10(65)+H(25)(+M)=>C7H11(222)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.163e+01 6.001e-01 -3.945e-01 -2.649e-02 / CHEB/ 5.264e-01 4.919e-01 4.278e-02 -2.719e-02 / CHEB/ -2.303e-01 1.834e-01 3.005e-02 -1.785e-02 / CHEB/ -1.977e-01 1.629e-01 3.405e-02 -6.058e-03 / CHEB/ -1.231e-01 8.502e-02 2.566e-02 1.010e-03 / CHEB/ -5.814e-02 1.254e-02 1.345e-02 2.799e-03 /

2227.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.4	-11.6	-5.6	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-29.5	-11.7	-5.6	-2.6

Chebyshev(coeffs=[[-21.8757,-0.0690201,-0.0352542,-0.00924453],[25.1154,0.0194691,0.00946287,0.00202236],[0.131236,0.0355837,0.0151247,0.000728841],[0.0303812,0.0166904,0.0086068,0.0023676],[-0.00412113,-2.80432e-06,0.00258318,0.00325352],[-0.00124463,-0.00388976,-0.000569899,0.0012664]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.51
S298 (cal/mol*K) = 3.20
G298 (kcal/mol) = 79.56

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(331); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(331)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.188e+01 -6.902e-02 -3.525e-02 -9.245e-03 / CHEB/ 2.512e+01 1.947e-02 9.463e-03 2.022e-03 / CHEB/ 1.312e-01 3.558e-02 1.512e-02 7.288e-04 / CHEB/ 3.038e-02 1.669e-02 8.607e-03 2.368e-03 / CHEB/ -4.121e-03 -2.804e-06 2.583e-03 3.254e-03 / CHEB/ -1.245e-03 -3.890e-03 -5.699e-04 1.266e-03 /

2228.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.3	-3.1	-0.0	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-3.5	-0.2	+1.3

Chebyshev(coeffs=[[-4.48927,-0.824765,-0.414228,-0.11791],[11.206,0.502047,0.248944,0.0701671],[0.566117,0.0940432,0.0293727,-0.00760776],[0.109019,0.036752,0.00933668,-0.00492217],[-0.031315,0.0335164,0.0198323,0.00690017],[-0.0374561,0.0132945,0.0115405,0.00612765]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.88
S298 (cal/mol*K) = 0.78
G298 (kcal/mol) = 26.64

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(218); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(218)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.489e+00 -8.248e-01 -4.142e-01 -1.179e-01 / CHEB/ 1.121e+01 5.020e-01 2.489e-01 7.017e-02 / CHEB/ 5.661e-01 9.404e-02 2.937e-02 -7.608e-03 / CHEB/ 1.090e-01 3.675e-02 9.337e-03 -4.922e-03 / CHEB/ -3.131e-02 3.352e-02 1.983e-02 6.900e-03 / CHEB/ -3.746e-02 1.329e-02 1.154e-02 6.128e-03 /

2229.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.6	-9.7	-4.6	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-24.8	-9.9	-4.7	-2.2

Chebyshev(coeffs=[[-17.2608,-0.263064,-0.148799,-0.0562021],[20.7573,0.0540359,0.029384,0.0112722],[0.296716,0.0613407,0.0257383,0.00145475],[0.0579278,0.053229,0.0268557,0.00673827],[-0.0175815,0.0237216,0.0163608,0.00800819],[-0.0183816,0.00144191,0.00357682,0.00351088]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 63.81
S298 (cal/mol*K) = 1.20
G298 (kcal/mol) = 63.46

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(32); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.726e+01 -2.631e-01 -1.488e-01 -5.620e-02 / CHEB/ 2.076e+01 5.404e-02 2.938e-02 1.127e-02 / CHEB/ 2.967e-01 6.134e-02 2.574e-02 1.455e-03 / CHEB/ 5.793e-02 5.323e-02 2.686e-02 6.738e-03 / CHEB/ -1.758e-02 2.372e-02 1.636e-02 8.008e-03 / CHEB/ -1.838e-02 1.442e-03 3.577e-03 3.511e-03 /

2230.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.4	-10.4	-5.3	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-25.5	-10.6	-5.4	-2.8

Chebyshev(coeffs=[[-18.0053,-0.262818,-0.148653,-0.0561296],[20.847,0.0529994,0.028822,0.0110655],[0.303294,0.0616119,0.0258796,0.00150523],[0.0645343,0.0536254,0.0270468,0.00678511],[-0.0138223,0.0237066,0.0163361,0.00797927],[-0.017982,0.00137711,0.00354761,0.00350219]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 63.81
S298 (cal/mol*K) = -0.18
G298 (kcal/mol) = 63.87

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(34); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.801e+01 -2.628e-01 -1.487e-01 -5.613e-02 / CHEB/ 2.085e+01 5.300e-02 2.882e-02 1.107e-02 / CHEB/ 3.033e-01 6.161e-02 2.588e-02 1.505e-03 / CHEB/ 6.453e-02 5.363e-02 2.705e-02 6.785e-03 / CHEB/ -1.382e-02 2.371e-02 1.634e-02 7.979e-03 / CHEB/ -1.798e-02 1.377e-03 3.548e-03 3.502e-03 /

2231.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-0.6	+1.6	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-0.9	+1.4	+2.6

Chebyshev(coeffs=[[0.360013,-0.949853,-0.250757,0.0720163],[7.54834,1.06803,0.235041,-0.132953],[0.747771,-0.288968,-0.0818985,0.0388795],[-0.0165239,0.0547648,0.0557343,0.0195004],[-0.0718675,0.095012,0.0150048,-0.0219406],[-0.0100195,-0.010255,-0.00502286,0.00761648]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.43
S298 (cal/mol*K) = -21.02
G298 (kcal/mol) = -6.17

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(221); H(25), C7H11(221); C7H10(65)+H(25)(+M)=>C7H11(221)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.600e-01 -9.499e-01 -2.508e-01 7.202e-02 / CHEB/ 7.548e+00 1.068e+00 2.350e-01 -1.330e-01 / CHEB/ 7.478e-01 -2.890e-01 -8.190e-02 3.888e-02 / CHEB/ -1.652e-02 5.476e-02 5.573e-02 1.950e-02 / CHEB/ -7.187e-02 9.501e-02 1.500e-02 -2.194e-02 / CHEB/ -1.002e-02 -1.026e-02 -5.023e-03 7.616e-03 /

2232.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.4	+4.9	+5.1	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+1.9	+4.0	+4.7	+4.7

Chebyshev(coeffs=[[8.95936,-1.99862,-0.61436,-0.0419934],[1.8701,1.18854,0.191251,-0.0716049],[0.103584,0.290669,0.122206,0.00196235],[-0.0561715,0.137434,0.0622447,0.0144039],[-0.0855745,0.0287255,0.0236744,0.0124158],[-0.0712293,-0.0180524,0.00243123,0.00523997]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.95
S298 (cal/mol*K) = -13.46
G298 (kcal/mol) = -19.93

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(224); H(25), C7H11(224); C7H10(65)+H(25)(+M)=>C7H11(224)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.959e+00 -1.999e+00 -6.144e-01 -4.199e-02 / CHEB/ 1.870e+00 1.189e+00 1.913e-01 -7.160e-02 / CHEB/ 1.036e-01 2.907e-01 1.222e-01 1.962e-03 / CHEB/ -5.617e-02 1.374e-01 6.224e-02 1.440e-02 / CHEB/ -8.557e-02 2.873e-02 2.367e-02 1.242e-02 / CHEB/ -7.123e-02 -1.805e-02 2.431e-03 5.240e-03 /

2233.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+3.5	+5.4	+6.2
log₁₀(k(10 bar)/[mole,m,s])	-2.9	+2.6	+5.0	+6.1

Chebyshev(coeffs=[[4.70537,-1.68617,-0.354737,-0.0353817],[6.9581,0.832131,0.056783,-0.00853964],[0.407833,0.378557,0.0343722,-0.0242727],[0.0760031,0.20521,0.0507051,-0.0110937],[-0.019839,0.065105,0.0424542,0.00058181],[-0.0356021,-0.00956606,0.02391,0.00744928]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.12
S298 (cal/mol*K) = 17.92
G298 (kcal/mol) = 8.78

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(146); H(25), H(25); C7H10(65)+H(25)(+M)=>C7H10(146)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.705e+00 -1.686e+00 -3.547e-01 -3.538e-02 / CHEB/ 6.958e+00 8.321e-01 5.678e-02 -8.540e-03 / CHEB/ 4.078e-01 3.786e-01 3.437e-02 -2.427e-02 / CHEB/ 7.600e-02 2.052e-01 5.071e-02 -1.109e-02 / CHEB/ -1.984e-02 6.511e-02 4.245e-02 5.818e-04 / CHEB/ -3.560e-02 -9.566e-03 2.391e-02 7.449e-03 /

2234.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.1	+1.0	+2.6	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-5.0	+0.4	+2.3	+3.1

Chebyshev(coeffs=[[1.98454,-1.22229,-0.557859,-0.124747],[6.95306,0.66238,0.251416,0.0186681],[0.266806,0.20512,0.0964222,0.0202738],[-0.0216052,0.129265,0.0584071,0.012243],[-0.0681074,0.0295196,0.0192005,0.0085415],[-0.054651,-0.0160777,-0.0015866,0.00354235]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.09
S298 (cal/mol*K) = -2.70
G298 (kcal/mol) = -21.28

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(225); H(25), C7H11(225); C7H10(65)+H(25)(+M)=>C7H11(225)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.985e+00 -1.222e+00 -5.579e-01 -1.247e-01 / CHEB/ 6.953e+00 6.624e-01 2.514e-01 1.867e-02 / CHEB/ 2.668e-01 2.051e-01 9.642e-02 2.027e-02 / CHEB/ -2.161e-02 1.293e-01 5.841e-02 1.224e-02 / CHEB/ -6.811e-02 2.952e-02 1.920e-02 8.541e-03 / CHEB/ -5.465e-02 -1.608e-02 -1.587e-03 3.542e-03 /

2235.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.4	+4.4	+5.4	+5.5
log₁₀(k(10 bar)/[mole,m,s])	+0.0	+3.3	+4.7	+5.2

Chebyshev(coeffs=[[7.8014,-2.14458,-0.253819,0.0294295],[3.34079,0.957281,-0.0882685,-0.0407661],[0.301198,0.401109,0.00256476,-0.0320536],[-0.0369747,0.208647,0.0280474,-0.013204],[-0.0962128,0.0788207,0.0364985,-0.00636706],[-0.0847696,0.00563068,0.0280886,-0.000194924]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -43.48
S298 (cal/mol*K) = -8.03
G298 (kcal/mol) = -41.08

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(226); H(25), C7H11(226); C7H10(65)+H(25)(+M)=>C7H11(226)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.801e+00 -2.145e+00 -2.538e-01 2.943e-02 / CHEB/ 3.341e+00 9.573e-01 -8.827e-02 -4.077e-02 / CHEB/ 3.012e-01 4.011e-01 2.565e-03 -3.205e-02 / CHEB/ -3.697e-02 2.086e-01 2.805e-02 -1.320e-02 / CHEB/ -9.621e-02 7.882e-02 3.650e-02 -6.367e-03 / CHEB/ -8.477e-02 5.631e-03 2.809e-02 -1.949e-04 /

2236.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.5	+4.0	+4.6	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+3.2	+4.3	+4.6

Chebyshev(coeffs=[[7.35412,-1.81084,-0.608386,-0.0586186],[3.07327,1.13447,0.22619,-0.0586392],[0.291614,0.23993,0.123696,0.0135108],[-0.0281948,0.128454,0.0588675,0.0158265],[-0.0764054,0.0284529,0.0213961,0.0111552],[-0.0649084,-0.0172549,0.00114218,0.00449428]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.54
S298 (cal/mol*K) = -6.02
G298 (kcal/mol) = -9.74

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(227); H(25), C7H11(227); C7H10(65)+H(25)(+M)=>C7H11(227)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.354e+00 -1.811e+00 -6.084e-01 -5.862e-02 / CHEB/ 3.073e+00 1.134e+00 2.262e-01 -5.864e-02 / CHEB/ 2.916e-01 2.399e-01 1.237e-01 1.351e-02 / CHEB/ -2.819e-02 1.285e-01 5.887e-02 1.583e-02 / CHEB/ -7.641e-02 2.845e-02 2.140e-02 1.116e-02 / CHEB/ -6.491e-02 -1.725e-02 1.142e-03 4.494e-03 /

2237.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.4	+3.4	+3.9	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-0.0	+2.6	+3.5	+3.7

Chebyshev(coeffs=[[7.08814,-1.89019,-0.610936,-0.0514172],[2.53623,1.16449,0.211765,-0.0648823],[0.216457,0.258525,0.124319,0.00902313],[-0.0412016,0.131181,0.0602548,0.0155094],[-0.0811031,0.0286325,0.0221545,0.0116976],[-0.0678668,-0.0175172,0.00164384,0.00476365]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.74
S298 (cal/mol*K) = -7.12
G298 (kcal/mol) = -18.61

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(228); H(25), C7H11(228); C7H10(65)+H(25)(+M)=>C7H11(228)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.088e+00 -1.890e+00 -6.109e-01 -5.142e-02 / CHEB/ 2.536e+00 1.164e+00 2.118e-01 -6.488e-02 / CHEB/ 2.165e-01 2.585e-01 1.243e-01 9.023e-03 / CHEB/ -4.120e-02 1.312e-01 6.025e-02 1.551e-02 / CHEB/ -8.110e-02 2.863e-02 2.215e-02 1.170e-02 / CHEB/ -6.787e-02 -1.752e-02 1.644e-03 4.764e-03 /

2238.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+2.3	+3.0	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+1.5	+2.6	+2.9

Chebyshev(coeffs=[[5.62043,-1.8011,-0.609137,-0.0597829],[3.13085,1.12396,0.227256,-0.0575977],[0.282213,0.238415,0.12288,0.0137278],[-0.0320867,0.129128,0.0586835,0.0156222],[-0.077535,0.0287524,0.0213945,0.0110515],[-0.0652307,-0.0171605,0.0011382,0.0044778]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.74
S298 (cal/mol*K) = -7.12
G298 (kcal/mol) = -18.61

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(229); H(25), C7H11(229); C7H10(65)+H(25)(+M)=>C7H11(229)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.620e+00 -1.801e+00 -6.091e-01 -5.978e-02 / CHEB/ 3.131e+00 1.124e+00 2.273e-01 -5.760e-02 / CHEB/ 2.822e-01 2.384e-01 1.229e-01 1.373e-02 / CHEB/ -3.209e-02 1.291e-01 5.868e-02 1.562e-02 / CHEB/ -7.754e-02 2.875e-02 2.139e-02 1.105e-02 / CHEB/ -6.523e-02 -1.716e-02 1.138e-03 4.478e-03 /

2239.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-1.5	+0.6	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-8.7	-2.0	+0.4	+1.4

Chebyshev(coeffs=[[-1.65462,-1.01135,-0.500813,-0.140149],[8.8457,0.515456,0.22588,0.0422841],[0.317944,0.188171,0.090411,0.0206625],[0.00119026,0.126358,0.058942,0.0124495],[-0.0547304,0.0277209,0.0179877,0.00801131],[-0.0459514,-0.0169078,-0.0030802,0.00303715]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.34
S298 (cal/mol*K) = -6.44
G298 (kcal/mol) = -7.42

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(230); H(25), C7H11(230); C7H10(65)+H(25)(+M)=>C7H11(230)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.655e+00 -1.011e+00 -5.008e-01 -1.401e-01 / CHEB/ 8.846e+00 5.155e-01 2.259e-01 4.228e-02 / CHEB/ 3.179e-01 1.882e-01 9.041e-02 2.066e-02 / CHEB/ 1.190e-03 1.264e-01 5.894e-02 1.245e-02 / CHEB/ -5.473e-02 2.772e-02 1.799e-02 8.011e-03 / CHEB/ -4.595e-02 -1.691e-02 -3.080e-03 3.037e-03 /

2240.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.2	-0.1	+2.9	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-0.4	+2.7	+4.0

Chebyshev(coeffs=[[-3.79668,-0.556583,-0.317361,-0.125056],[14.2049,0.14456,0.0810122,0.0354741],[-0.177934,0.15362,0.0777074,0.0201423],[-0.11092,0.11614,0.0594388,0.0161665],[-0.0732006,0.0245647,0.0161901,0.0072772],[-0.044745,-0.015281,-0.00476591,0.00129756]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.75
S298 (cal/mol*K) = 34.11
G298 (kcal/mol) = 36.58

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C5H7(210); H(25), C2H4(72); C7H10(65)+H(25)(+M)=>C5H7(210)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.797e+00 -5.566e-01 -3.174e-01 -1.251e-01 / CHEB/ 1.420e+01 1.446e-01 8.101e-02 3.547e-02 / CHEB/ -1.779e-01 1.536e-01 7.771e-02 2.014e-02 / CHEB/ -1.109e-01 1.161e-01 5.944e-02 1.617e-02 / CHEB/ -7.320e-02 2.456e-02 1.619e-02 7.277e-03 / CHEB/ -4.475e-02 -1.528e-02 -4.766e-03 1.298e-03 /

2241.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.3	-8.1	-2.8	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-25.5	-8.2	-2.9	-0.5

Chebyshev(coeffs=[[-18.3264,-0.248468,-0.153567,-0.0688547],[24.4187,0.0292965,0.0168101,0.00644719],[-0.336772,0.0917668,0.0510552,0.0177116],[-0.161992,0.0610843,0.0366708,0.0154054],[-0.0804774,0.0061833,0.00678034,0.00555799],[-0.03835,-0.011134,-0.00493691,-0.000518152]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.89
S298 (cal/mol*K) = 37.08
G298 (kcal/mol) = 69.84

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C4H5(99); H(25), C3H6(231); C7H10(65)+H(25)(+M)=>C3H6(231)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.833e+01 -2.485e-01 -1.536e-01 -6.885e-02 / CHEB/ 2.442e+01 2.930e-02 1.681e-02 6.447e-03 / CHEB/ -3.368e-01 9.177e-02 5.106e-02 1.771e-02 / CHEB/ -1.620e-01 6.108e-02 3.667e-02 1.541e-02 / CHEB/ -8.048e-02 6.183e-03 6.780e-03 5.558e-03 / CHEB/ -3.835e-02 -1.113e-02 -4.937e-03 -5.182e-04 /

2242.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.8	-4.1	-0.1	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-17.6	-4.6	-0.3	+1.6

Chebyshev(coeffs=[[-10.1371,-0.896806,-0.334149,-0.0260828],[17.8929,0.386713,0.0989157,-0.0271915],[-0.018693,0.245597,0.0762682,-0.00978312],[-0.0442307,0.143155,0.0508856,0.00205574],[-0.0536202,0.022768,0.0246094,0.011866],[-0.0420205,-0.0228848,0.00514043,0.0095152]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.62
S298 (cal/mol*K) = 22.80
G298 (kcal/mol) = 50.83

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(18); H(25), H(25); C7H10(65)+H(25)(+M)=>C7H10(18)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.014e+01 -8.968e-01 -3.341e-01 -2.608e-02 / CHEB/ 1.789e+01 3.867e-01 9.892e-02 -2.719e-02 / CHEB/ -1.869e-02 2.456e-01 7.627e-02 -9.783e-03 / CHEB/ -4.423e-02 1.432e-01 5.089e-02 2.056e-03 / CHEB/ -5.362e-02 2.277e-02 2.461e-02 1.187e-02 / CHEB/ -4.202e-02 -2.288e-02 5.140e-03 9.515e-03 /

2243.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.0	-4.2	-0.0	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-17.7	-4.7	-0.2	+1.8

Chebyshev(coeffs=[[-10.1863,-0.871567,-0.342072,-0.0463081],[17.9391,0.402709,0.0969084,-0.0336943],[0.141646,0.243098,0.0892296,0.00332344],[0.0195627,0.130077,0.0602973,0.0154613],[-0.0446685,0.0113415,0.0244428,0.0165283],[-0.0518634,-0.0283883,-6.72275e-05,0.00778001]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.05
S298 (cal/mol*K) = 18.96
G298 (kcal/mol) = 51.40

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(89); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.019e+01 -8.716e-01 -3.421e-01 -4.631e-02 / CHEB/ 1.794e+01 4.027e-01 9.691e-02 -3.369e-02 / CHEB/ 1.416e-01 2.431e-01 8.923e-02 3.323e-03 / CHEB/ 1.956e-02 1.301e-01 6.030e-02 1.546e-02 / CHEB/ -4.467e-02 1.134e-02 2.444e-02 1.653e-02 / CHEB/ -5.186e-02 -2.839e-02 -6.723e-05 7.780e-03 /

2244.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.1	-12.4	-6.2	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-32.3	-12.6	-6.2	-3.2

Chebyshev(coeffs=[[-24.7224,-0.212079,-0.133167,-0.0614849],[27.7596,0.0230737,0.0133965,0.00518196],[-0.110709,0.0799526,0.0456894,0.0169585],[-0.098275,0.0518715,0.0318549,0.0140385],[-0.0591958,0.00385388,0.00493937,0.00449304],[-0.0297597,-0.0100537,-0.00475287,-0.000811789]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 89.56
S298 (cal/mol*K) = 24.81
G298 (kcal/mol) = 82.17

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(95); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.472e+01 -2.121e-01 -1.332e-01 -6.148e-02 / CHEB/ 2.776e+01 2.307e-02 1.340e-02 5.182e-03 / CHEB/ -1.107e-01 7.995e-02 4.569e-02 1.696e-02 / CHEB/ -9.827e-02 5.187e-02 3.185e-02 1.404e-02 / CHEB/ -5.920e-02 3.854e-03 4.939e-03 4.493e-03 / CHEB/ -2.976e-02 -1.005e-02 -4.753e-03 -8.118e-04 /

2245.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.0	-8.2	-1.8	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-29.2	-8.2	-1.8	+1.1

Chebyshev(coeffs=[[-21.6581,-0.176515,-0.109396,-0.0489459],[29.458,0.0607047,0.0379387,0.0172288],[-0.349658,0.0906385,0.0522921,0.0197088],[-0.187928,0.0300959,0.0181278,0.00764413],[-0.106433,-0.01555,-0.0069647,-0.000605935],[-0.0517283,-0.012846,-0.006419,-0.00143665]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.72
S298 (cal/mol*K) = 40.82
G298 (kcal/mol) = 85.55

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C5H8(232); H(25), C2H3(100); C7H10(65)+H(25)(+M)=>C5H8(232)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.166e+01 -1.765e-01 -1.094e-01 -4.895e-02 / CHEB/ 2.946e+01 6.070e-02 3.794e-02 1.723e-02 / CHEB/ -3.497e-01 9.064e-02 5.229e-02 1.971e-02 / CHEB/ -1.879e-01 3.010e-02 1.813e-02 7.644e-03 / CHEB/ -1.064e-01 -1.555e-02 -6.965e-03 -6.059e-04 / CHEB/ -5.173e-02 -1.285e-02 -6.419e-03 -1.437e-03 /

2246.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.3	-9.4	-3.7	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-27.5	-9.5	-3.8	-1.1

Chebyshev(coeffs=[[-20.0471,-0.253609,-0.156422,-0.0698727],[25.2121,0.0302613,0.0173473,0.00666323],[-0.0956265,0.0933476,0.0517605,0.0178007],[-0.0906773,0.0623649,0.037321,0.0155708],[-0.0568861,0.00652893,0.00703513,0.00568913],[-0.0301909,-0.0112748,-0.00495723,-0.000477411]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.36
S298 (cal/mol*K) = 23.71
G298 (kcal/mol) = 73.30

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(96); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.005e+01 -2.536e-01 -1.564e-01 -6.987e-02 / CHEB/ 2.521e+01 3.026e-02 1.735e-02 6.663e-03 / CHEB/ -9.563e-02 9.335e-02 5.176e-02 1.780e-02 / CHEB/ -9.068e-02 6.236e-02 3.732e-02 1.557e-02 / CHEB/ -5.689e-02 6.529e-03 7.035e-03 5.689e-03 / CHEB/ -3.019e-02 -1.127e-02 -4.957e-03 -4.774e-04 /

2247.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.3	-9.4	-3.7	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-27.5	-9.5	-3.8	-1.1

H298 (kcal/mol) = 80.36
S298 (cal/mol*K) = 23.71
G298 (kcal/mol) = 73.30

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(97); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.005e+01 -2.536e-01 -1.564e-01 -6.987e-02 / CHEB/ 2.521e+01 3.026e-02 1.735e-02 6.663e-03 / CHEB/ -9.563e-02 9.335e-02 5.176e-02 1.780e-02 / CHEB/ -9.068e-02 6.236e-02 3.732e-02 1.557e-02 / CHEB/ -5.689e-02 6.529e-03 7.035e-03 5.689e-03 / CHEB/ -3.019e-02 -1.127e-02 -4.957e-03 -4.774e-04 /

2248.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.1	-11.9	-5.4	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-32.3	-12.0	-5.5	-2.4

Chebyshev(coeffs=[[-24.6442,-0.203138,-0.128093,-0.0596116],[28.4885,0.0216669,0.0126351,0.00492429],[-0.0891885,0.0768973,0.0442686,0.0167306],[-0.0927419,0.049582,0.0306203,0.0136502],[-0.0573001,0.0033217,0.00448482,0.00419924],[-0.0288139,-0.00976552,-0.00469476,-0.000883132]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.76
S298 (cal/mol*K) = 24.39
G298 (kcal/mol) = 84.50

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(37); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.464e+01 -2.031e-01 -1.281e-01 -5.961e-02 / CHEB/ 2.849e+01 2.167e-02 1.264e-02 4.924e-03 / CHEB/ -8.919e-02 7.690e-02 4.427e-02 1.673e-02 / CHEB/ -9.274e-02 4.958e-02 3.062e-02 1.365e-02 / CHEB/ -5.730e-02 3.322e-03 4.485e-03 4.199e-03 / CHEB/ -2.881e-02 -9.766e-03 -4.695e-03 -8.831e-04 /

2249.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+4.9	+5.7	+6.0
log₁₀(k(10 bar)/[mole,m,s])	+1.9	+4.5	+5.5	+5.9

Chebyshev(coeffs=[[8.838,-0.771009,-0.116192,0.03735],[2.84242,0.541501,-0.00704843,-0.0511924],[0.334967,0.0558931,0.0346028,-0.0120966],[-0.0154236,0.0531329,0.0176327,0.00368072],[-0.0471057,0.0322349,0.0125052,0.0031281],[-0.0391767,0.00531256,0.0078139,0.00167746]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.66
S298 (cal/mol*K) = -10.31
G298 (kcal/mol) = -27.58

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(233); H(25), C7H11(233); C7H10(65)+H(25)(+M)=>C7H11(233)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.838e+00 -7.710e-01 -1.162e-01 3.735e-02 / CHEB/ 2.842e+00 5.415e-01 -7.048e-03 -5.119e-02 / CHEB/ 3.350e-01 5.589e-02 3.460e-02 -1.210e-02 / CHEB/ -1.542e-02 5.313e-02 1.763e-02 3.681e-03 / CHEB/ -4.711e-02 3.223e-02 1.251e-02 3.128e-03 / CHEB/ -3.918e-02 5.313e-03 7.814e-03 1.677e-03 /

2250.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.0	+4.4	+4.9	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+3.6	+4.4	+4.7

Chebyshev(coeffs=[[7.65996,-2.07386,-0.565236,-0.0255789],[3.17422,1.39986,0.164255,-0.0797703],[0.0608448,0.185739,0.128341,0.00654881],[-0.140736,0.0356715,0.0347908,0.0185632],[-0.0598693,0.0457312,0.00551207,0.00137782],[-0.0320153,0.0268139,0.00855446,-0.00231879]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.38
S298 (cal/mol*K) = -5.25
G298 (kcal/mol) = -20.81

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(234); H(25), C7H11(234); C7H10(65)+H(25)(+M)=>C7H11(234)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.660e+00 -2.074e+00 -5.652e-01 -2.558e-02 / CHEB/ 3.174e+00 1.400e+00 1.643e-01 -7.977e-02 / CHEB/ 6.084e-02 1.857e-01 1.283e-01 6.549e-03 / CHEB/ -1.407e-01 3.567e-02 3.479e-02 1.856e-02 / CHEB/ -5.987e-02 4.573e-02 5.512e-03 1.378e-03 / CHEB/ -3.202e-02 2.681e-02 8.554e-03 -2.319e-03 /

2251.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.7	+4.6	+5.7	+6.1
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+4.3	+5.5	+6.0

Chebyshev(coeffs=[[8.18474,-0.616268,-0.132084,0.015379],[3.5399,0.37391,0.0225824,-0.0262353],[0.373409,0.0814857,0.0265686,-0.0134649],[-0.0103558,0.0550163,0.0183276,0.00287778],[-0.0423628,0.0295945,0.0120826,0.00303872],[-0.0368611,0.0050873,0.00735917,0.00164821]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.24
S298 (cal/mol*K) = -9.22
G298 (kcal/mol) = -4.49

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(235); H(25), C7H11(235); C7H10(65)+H(25)(+M)=>C7H11(235)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.185e+00 -6.163e-01 -1.321e-01 1.538e-02 / CHEB/ 3.540e+00 3.739e-01 2.258e-02 -2.624e-02 / CHEB/ 3.734e-01 8.149e-02 2.657e-02 -1.346e-02 / CHEB/ -1.036e-02 5.502e-02 1.833e-02 2.878e-03 / CHEB/ -4.236e-02 2.959e-02 1.208e-02 3.039e-03 / CHEB/ -3.686e-02 5.087e-03 7.359e-03 1.648e-03 /

2252.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.0	-9.8	-3.8	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-29.1	-9.9	-3.9	-1.0

Chebyshev(coeffs=[[-21.6659,-0.218617,-0.136861,-0.0628362],[27.0233,0.0241387,0.0139752,0.00538343],[-0.174889,0.0821422,0.0466977,0.0171111],[-0.116722,0.0535406,0.0327456,0.0143095],[-0.065309,0.00425364,0.00527194,0.00470039],[-0.0321188,-0.0102585,-0.00479178,-0.000759123]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.05
S298 (cal/mol*K) = 32.80
G298 (kcal/mol) = 69.28

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C6H9(236); H(25), CH2(T)(82); C7H10(65)+H(25)(+M)=>C6H9(236)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.167e+01 -2.186e-01 -1.369e-01 -6.284e-02 / CHEB/ 2.702e+01 2.414e-02 1.398e-02 5.383e-03 / CHEB/ -1.749e-01 8.214e-02 4.670e-02 1.711e-02 / CHEB/ -1.167e-01 5.354e-02 3.275e-02 1.431e-02 / CHEB/ -6.531e-02 4.254e-03 5.272e-03 4.700e-03 / CHEB/ -3.212e-02 -1.026e-02 -4.792e-03 -7.591e-04 /

2253.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.6	-13.5	-7.0	-3.9
log₁₀(k(10 bar)/[mole,m,s])	-33.8	-13.6	-7.1	-4.0

Chebyshev(coeffs=[[-26.1088,-0.203636,-0.128332,-0.0596597],[28.3672,0.024052,0.0140747,0.00553803],[-0.0544958,0.0774042,0.0445657,0.0168502],[-0.0834697,0.0493203,0.0304906,0.0136228],[-0.0544202,0.00289435,0.00425412,0.00412571],[-0.0278622,-0.0100016,-0.00483891,-0.000945574]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 90.76
S298 (cal/mol*K) = 21.77
G298 (kcal/mol) = 84.28

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(237); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(237)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.611e+01 -2.036e-01 -1.283e-01 -5.966e-02 / CHEB/ 2.837e+01 2.405e-02 1.407e-02 5.538e-03 / CHEB/ -5.450e-02 7.740e-02 4.457e-02 1.685e-02 / CHEB/ -8.347e-02 4.932e-02 3.049e-02 1.362e-02 / CHEB/ -5.442e-02 2.894e-03 4.254e-03 4.126e-03 / CHEB/ -2.786e-02 -1.000e-02 -4.839e-03 -9.456e-04 /

2256.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-3.2	-0.5	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-2.4	+0.4	+1.5

Chebyshev(coeffs=[[-11.826,0.914099,-0.204851,-0.00847946],[12.4817,0.899493,0.0312724,-0.0411634],[0.312245,0.112728,0.0770031,-0.00431309],[-0.303403,-0.0525049,0.0265066,0.0201495],[-0.156244,-0.0289735,-0.00674755,0.00663677],[-0.0271686,0.00536275,-0.00501366,-0.00253472]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.38
S298 (cal/mol*K) = -0.54
G298 (kcal/mol) = 30.54

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H10(1); C7H11(40), H(25); C7H11(40)(+M)=>C7H10(1)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.183e+01 9.141e-01 -2.049e-01 -8.479e-03 / CHEB/ 1.248e+01 8.995e-01 3.127e-02 -4.116e-02 / CHEB/ 3.122e-01 1.127e-01 7.700e-02 -4.313e-03 / CHEB/ -3.034e-01 -5.250e-02 2.651e-02 2.015e-02 / CHEB/ -1.562e-01 -2.897e-02 -6.748e-03 6.637e-03 / CHEB/ -2.717e-02 5.363e-03 -5.014e-03 -2.535e-03 /

2257.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.2	-6.0	-1.3	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-20.3	-5.1	-0.4	+1.7

Chebyshev(coeffs=[[-19.8014,1.80173,-0.121152,-0.0526875],[20.707,0.141712,0.0822251,0.0315347],[0.153985,0.00938673,0.00700916,0.00425872],[-0.223139,-0.00887356,-0.00395121,-0.000301086],[-0.130817,0.000235991,2.04419e-05,-9.92369e-05],[-0.0299016,0.00321196,0.00170373,0.000489846]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.21
S298 (cal/mol*K) = 20.10
G298 (kcal/mol) = 53.22

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(218); C7H11(40)(+M)=>H(25)+C7H10(218)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.980e+01 1.802e+00 -1.212e-01 -5.269e-02 / CHEB/ 2.071e+01 1.417e-01 8.223e-02 3.153e-02 / CHEB/ 1.540e-01 9.387e-03 7.009e-03 4.259e-03 / CHEB/ -2.231e-01 -8.874e-03 -3.951e-03 -3.011e-04 / CHEB/ -1.308e-01 2.360e-04 2.044e-05 -9.924e-05 / CHEB/ -2.990e-02 3.212e-03 1.704e-03 4.898e-04 /

2258.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.6	-13.4	-6.4	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-34.6	-12.4	-5.4	-2.1

Chebyshev(coeffs=[[-33.5338,1.98052,-0.0134294,-0.00734053],[30.6137,0.00333397,0.00231932,0.00128679],[0.165214,-0.00120974,-0.000811952,-0.000423047],[-0.204543,-0.000489563,-0.000316529,-0.000153642],[-0.122931,0.000528288,0.000373819,0.000212707],[-0.0188664,0.000561043,0.000386501,0.000210698]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.15
S298 (cal/mol*K) = 20.52
G298 (kcal/mol) = 90.04

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(32); C7H11(40)(+M)=>H(25)+C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.353e+01 1.981e+00 -1.343e-02 -7.341e-03 / CHEB/ 3.061e+01 3.334e-03 2.319e-03 1.287e-03 / CHEB/ 1.652e-01 -1.210e-03 -8.120e-04 -4.230e-04 / CHEB/ -2.045e-01 -4.896e-04 -3.165e-04 -1.536e-04 / CHEB/ -1.229e-01 5.283e-04 3.738e-04 2.127e-04 / CHEB/ -1.887e-02 5.610e-04 3.865e-04 2.107e-04 /

2259.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.4	-14.1	-7.0	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-35.4	-13.1	-6.1	-2.7

Chebyshev(coeffs=[[-34.2291,1.98029,-0.0135864,-0.00742529],[30.6184,0.00363699,0.00252712,0.00139934],[0.231195,-0.00148021,-0.000996787,-0.000522561],[-0.22801,-0.000322651,-0.00020203,-9.1593e-05],[-0.115528,0.000534369,0.000377954,0.00021491],[-0.00544924,0.000455182,0.000313996,0.00017151]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.15
S298 (cal/mol*K) = 19.14
G298 (kcal/mol) = 90.45

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(34); C7H11(40)(+M)=>H(25)+C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.423e+01 1.980e+00 -1.359e-02 -7.425e-03 / CHEB/ 3.062e+01 3.637e-03 2.527e-03 1.399e-03 / CHEB/ 2.312e-01 -1.480e-03 -9.968e-04 -5.226e-04 / CHEB/ -2.280e-01 -3.227e-04 -2.020e-04 -9.159e-05 / CHEB/ -1.155e-01 5.344e-04 3.780e-04 2.149e-04 / CHEB/ -5.449e-03 4.552e-04 3.140e-04 1.715e-04 /

2260.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.3	-4.9	-1.6	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-4.1	-0.7	+0.7

Chebyshev(coeffs=[[-15.316,1.36824,-0.254773,-0.0371048],[15.269,0.507116,0.156136,-0.0141022],[0.184647,0.0497669,0.0379862,0.0146764],[-0.298922,-0.0294673,-0.000244634,0.0105897],[-0.15772,-0.0123033,-0.00532898,0.000294883],[-0.0253536,0.00424546,0.000666419,-0.00131099]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.91
S298 (cal/mol*K) = -1.70
G298 (kcal/mol) = 20.41

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H11(221); C7H11(40)(+M)=>C7H11(221)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.532e+01 1.368e+00 -2.548e-01 -3.710e-02 / CHEB/ 1.527e+01 5.071e-01 1.561e-01 -1.410e-02 / CHEB/ 1.846e-01 4.977e-02 3.799e-02 1.468e-02 / CHEB/ -2.989e-01 -2.947e-02 -2.446e-04 1.059e-02 / CHEB/ -1.577e-01 -1.230e-02 -5.329e-03 2.949e-04 / CHEB/ -2.535e-02 4.245e-03 6.664e-04 -1.311e-03 /

2261.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	+0.8	+2.7	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-8.2	+1.2	+3.4	+4.0

Chebyshev(coeffs=[[-7.28392,-0.130934,-0.389363,-0.00926894],[10.9518,1.64496,0.0518969,-0.0762792],[-0.029375,0.316322,0.140901,-0.00856874],[-0.406426,-0.012709,0.061759,0.0230532],[-0.202418,-0.0609968,0.00514104,0.015849],[-0.0477398,-0.0256448,-0.00781509,0.00426947]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.39
S298 (cal/mol*K) = 5.86
G298 (kcal/mol) = 6.64

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H11(224); C7H11(40)(+M)=>C7H11(224)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.284e+00 -1.309e-01 -3.894e-01 -9.269e-03 / CHEB/ 1.095e+01 1.645e+00 5.190e-02 -7.628e-02 / CHEB/ -2.937e-02 3.163e-01 1.409e-01 -8.569e-03 / CHEB/ -4.064e-01 -1.271e-02 6.176e-02 2.305e-02 / CHEB/ -2.024e-01 -6.100e-02 5.141e-03 1.585e-02 / CHEB/ -4.774e-02 -2.564e-02 -7.815e-03 4.269e-03 /

2262.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.4	-2.3	+1.1	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-14.2	-1.6	+2.0	+3.5

Chebyshev(coeffs=[[-13.6311,1.04199,-0.440404,-0.0919356],[16.4121,0.732008,0.287175,0.0172095],[0.169786,0.139554,0.0776159,0.02438],[-0.297885,0.0139488,0.0151926,0.0112731],[-0.159311,-0.0302678,-0.00601262,0.00560945],[-0.0332601,-0.0200082,-0.00598692,0.00175754]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.46
S298 (cal/mol*K) = 37.24
G298 (kcal/mol) = 35.36

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H10(146); C7H11(40), H(25); C7H11(40)(+M)=>C7H10(146)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.363e+01 1.042e+00 -4.404e-01 -9.194e-02 / CHEB/ 1.641e+01 7.320e-01 2.872e-01 1.721e-02 / CHEB/ 1.698e-01 1.396e-01 7.762e-02 2.438e-02 / CHEB/ -2.979e-01 1.395e-02 1.519e-02 1.127e-02 / CHEB/ -1.593e-01 -3.027e-02 -6.013e-03 5.609e-03 / CHEB/ -3.326e-02 -2.001e-02 -5.987e-03 1.758e-03 /

2263.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.3	-4.0	-0.3	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-16.0	-3.2	+0.6	+2.1

Chebyshev(coeffs=[[-15.4451,1.08857,-0.428462,-0.0954312],[16.7864,0.696815,0.283546,0.0241605],[0.194337,0.135261,0.0747732,0.0238543],[-0.279002,0.013655,0.0143711,0.010566],[-0.154508,-0.0292484,-0.0061415,0.00523917],[-0.0341752,-0.0194107,-0.00604852,0.00157053]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.25
S298 (cal/mol*K) = 16.62
G298 (kcal/mol) = 5.30

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H11(225); C7H11(40)(+M)=>C7H11(225)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.545e+01 1.089e+00 -4.285e-01 -9.543e-02 / CHEB/ 1.679e+01 6.968e-01 2.835e-01 2.416e-02 / CHEB/ 1.943e-01 1.353e-01 7.477e-02 2.385e-02 / CHEB/ -2.790e-01 1.366e-02 1.437e-02 1.057e-02 / CHEB/ -1.545e-01 -2.925e-02 -6.142e-03 5.239e-03 / CHEB/ -3.418e-02 -1.941e-02 -6.049e-03 1.571e-03 /

2264.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-1.9	+1.0	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-1.3	+1.9	+3.0

Chebyshev(coeffs=[[-11.8084,0.626274,-0.48028,-0.0436544],[14.1629,1.12116,0.275961,-0.0496253],[0.196791,0.166272,0.108957,0.0270048],[-0.309989,-0.00882502,0.0213629,0.0203244],[-0.167813,-0.0388719,-0.00664575,0.00792508],[-0.0371469,-0.0185961,-0.00628109,0.00136744]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.14
S298 (cal/mol*K) = 11.29
G298 (kcal/mol) = -14.50

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H11(226); C7H11(40)(+M)=>C7H11(226)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.181e+01 6.263e-01 -4.803e-01 -4.365e-02 / CHEB/ 1.416e+01 1.121e+00 2.760e-01 -4.963e-02 / CHEB/ 1.968e-01 1.663e-01 1.090e-01 2.700e-02 / CHEB/ -3.100e-01 -8.825e-03 2.136e-02 2.032e-02 / CHEB/ -1.678e-01 -3.887e-02 -6.646e-03 7.925e-03 / CHEB/ -3.715e-02 -1.860e-02 -6.281e-03 1.367e-03 /

2265.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	-0.4	+2.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.1	+0.1	+2.8	+3.7

Chebyshev(coeffs=[[-9.26253,0.202957,-0.437866,-0.0136432],[12.3477,1.48381,0.164204,-0.0804587],[0.16041,0.217965,0.142241,0.0113828],[-0.338178,-0.0255279,0.0398735,0.0265306],[-0.1776,-0.0513873,-0.00424479,0.0124677],[-0.040089,-0.0195721,-0.00826519,0.00202189]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.80
S298 (cal/mol*K) = 13.30
G298 (kcal/mol) = 16.84

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H11(227); C7H11(40)(+M)=>C7H11(227)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.263e+00 2.030e-01 -4.379e-01 -1.364e-02 / CHEB/ 1.235e+01 1.484e+00 1.642e-01 -8.046e-02 / CHEB/ 1.604e-01 2.180e-01 1.422e-01 1.138e-02 / CHEB/ -3.382e-01 -2.553e-02 3.987e-02 2.653e-02 / CHEB/ -1.776e-01 -5.139e-02 -4.245e-03 1.247e-02 / CHEB/ -4.009e-02 -1.957e-02 -8.265e-03 2.022e-03 /

2266.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	-0.9	+1.3	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-10.3	-0.4	+2.1	+2.8

Chebyshev(coeffs=[[-9.38342,0.0638232,-0.418582,-0.0107118],[11.7363,1.56408,0.116998,-0.0803686],[0.0800156,0.25274,0.146139,0.00246321],[-0.365044,-0.022425,0.0482485,0.0263525],[-0.187805,-0.0565129,-0.00069261,0.0140077],[-0.044271,-0.0215443,-0.00841579,0.00287221]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.60
S298 (cal/mol*K) = 12.20
G298 (kcal/mol) = 7.97

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H11(228); C7H11(40)(+M)=>C7H11(228)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.383e+00 6.382e-02 -4.186e-01 -1.071e-02 / CHEB/ 1.174e+01 1.564e+00 1.170e-01 -8.037e-02 / CHEB/ 8.002e-02 2.527e-01 1.461e-01 2.463e-03 / CHEB/ -3.650e-01 -2.242e-02 4.825e-02 2.635e-02 / CHEB/ -1.878e-01 -5.651e-02 -6.926e-04 1.401e-02 / CHEB/ -4.427e-02 -2.154e-02 -8.416e-03 2.872e-03 /

2267.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-2.1	+0.3	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-11.9	-1.6	+1.1	+2.0

Chebyshev(coeffs=[[-11.0154,0.225305,-0.443183,-0.0142663],[12.4263,1.46026,0.172097,-0.0805914],[0.151242,0.216442,0.139936,0.0124419],[-0.341654,-0.0246254,0.0389971,0.026261],[-0.178937,-0.0503392,-0.00437673,0.0122611],[-0.0404958,-0.0191294,-0.00815367,0.00196951]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.60
S298 (cal/mol*K) = 12.20
G298 (kcal/mol) = 7.97

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H11(229); C7H11(40)(+M)=>C7H11(229)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.102e+01 2.253e-01 -4.432e-01 -1.427e-02 / CHEB/ 1.243e+01 1.460e+00 1.721e-01 -8.059e-02 / CHEB/ 1.512e-01 2.164e-01 1.399e-01 1.244e-02 / CHEB/ -3.417e-01 -2.463e-02 3.900e-02 2.626e-02 / CHEB/ -1.789e-01 -5.034e-02 -4.377e-03 1.226e-02 / CHEB/ -4.050e-02 -1.913e-02 -8.154e-03 1.970e-03 /

2268.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.5	-6.7	-2.4	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-20.0	-5.9	-1.5	+0.4

Chebyshev(coeffs=[[-19.3346,1.31779,-0.35677,-0.106705],[18.7905,0.505743,0.242405,0.0511823],[0.293427,0.112774,0.0609763,0.0198154],[-0.232088,0.0224094,0.0143685,0.00703198],[-0.135784,-0.0253403,-0.00636114,0.00404562],[-0.0280632,-0.0202744,-0.00713801,0.00102961]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.00
S298 (cal/mol*K) = 12.88
G298 (kcal/mol) = 19.16

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H11(230); C7H11(40)(+M)=>C7H11(230)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.933e+01 1.318e+00 -3.568e-01 -1.067e-01 / CHEB/ 1.879e+01 5.057e-01 2.424e-01 5.118e-02 / CHEB/ 2.934e-01 1.128e-01 6.098e-02 1.982e-02 / CHEB/ -2.321e-01 2.241e-02 1.437e-02 7.032e-03 / CHEB/ -1.358e-01 -2.534e-02 -6.361e-03 4.046e-03 / CHEB/ -2.806e-02 -2.027e-02 -7.138e-03 1.030e-03 /

2269.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.4	-5.6	-0.3	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-22.6	-4.7	+0.6	+2.9

Chebyshev(coeffs=[[-22.0885,1.71499,-0.173706,-0.075124],[24.5527,0.140698,0.0835576,0.033922],[-0.0759843,0.0838572,0.0465775,0.0158861],[-0.306634,0.0347172,0.0198482,0.00737102],[-0.162,-0.0168723,-0.006516,0.000660298],[-0.0403181,-0.0181403,-0.00848898,-0.00129479]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.08
S298 (cal/mol*K) = 53.43
G298 (kcal/mol) = 63.16

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C5H7(210); C7H11(40), C2H4(72); C7H11(40)(+M)=>C5H7(210)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.209e+01 1.715e+00 -1.737e-01 -7.512e-02 / CHEB/ 2.455e+01 1.407e-01 8.356e-02 3.392e-02 / CHEB/ -7.598e-02 8.386e-02 4.658e-02 1.589e-02 / CHEB/ -3.066e-01 3.472e-02 1.985e-02 7.371e-03 / CHEB/ -1.620e-01 -1.687e-02 -6.516e-03 6.603e-04 / CHEB/ -4.032e-02 -1.814e-02 -8.489e-03 -1.295e-03 /

2270.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.1	-13.9	-6.2	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-38.2	-13.0	-5.2	-1.8

Chebyshev(coeffs=[[-37.1124,1.88512,-0.0750988,-0.0373384],[34.9959,0.0400274,0.0259484,0.0126833],[-0.14272,0.0453722,0.0283518,0.0128686],[-0.320407,0.0227153,0.0143189,0.00662325],[-0.166904,-0.0101755,-0.00567545,-0.00191047],[-0.0419608,-0.0119402,-0.00700291,-0.00273352]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 113.22
S298 (cal/mol*K) = 56.40
G298 (kcal/mol) = 96.42

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C3H6(231); C7H11(40), C4H5(99); C7H11(40)(+M)=>C3H6(231)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.711e+01 1.885e+00 -7.510e-02 -3.734e-02 / CHEB/ 3.500e+01 4.003e-02 2.595e-02 1.268e-02 / CHEB/ -1.427e-01 4.537e-02 2.835e-02 1.287e-02 / CHEB/ -3.204e-01 2.272e-02 1.432e-02 6.623e-03 / CHEB/ -1.669e-01 -1.018e-02 -5.675e-03 -1.910e-03 / CHEB/ -4.196e-02 -1.194e-02 -7.003e-03 -2.734e-03 /

2271.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.9	-11.1	-4.6	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-31.1	-10.2	-3.6	-0.7

Chebyshev(coeffs=[[-30.2162,1.80147,-0.124826,-0.0575416],[28.8986,0.085337,0.0526155,0.0232118],[0.0344376,0.0674999,0.0395119,0.0154518],[-0.22769,0.0304746,0.0181945,0.00748369],[-0.145358,-0.0143012,-0.00664342,-0.000869453],[-0.0504545,-0.0158552,-0.0082659,-0.00222095]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 89.96
S298 (cal/mol*K) = 42.12
G298 (kcal/mol) = 77.41

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H10(18); C7H11(40), H(25); C7H11(40)(+M)=>C7H10(18)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.022e+01 1.801e+00 -1.248e-01 -5.754e-02 / CHEB/ 2.890e+01 8.534e-02 5.262e-02 2.321e-02 / CHEB/ 3.444e-02 6.750e-02 3.951e-02 1.545e-02 / CHEB/ -2.277e-01 3.047e-02 1.819e-02 7.484e-03 / CHEB/ -1.454e-01 -1.430e-02 -6.643e-03 -8.695e-04 / CHEB/ -5.045e-02 -1.586e-02 -8.266e-03 -2.221e-03 /

2272.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.0	-11.6	-5.2	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-31.2	-10.7	-4.3	-1.4

Chebyshev(coeffs=[[-30.3249,1.79003,-0.131409,-0.060019],[28.2753,0.0923847,0.0566436,0.02469],[0.0321461,0.0700205,0.0406734,0.0156059],[-0.227216,0.0311809,0.0184996,0.0075006],[-0.145395,-0.0147326,-0.00667679,-0.000676103],[-0.0510164,-0.0162317,-0.00833675,-0.00210815]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 89.39
S298 (cal/mol*K) = 38.28
G298 (kcal/mol) = 77.98

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(89); C7H11(40)(+M)=>H(25)+C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.032e+01 1.790e+00 -1.314e-01 -6.002e-02 / CHEB/ 2.828e+01 9.238e-02 5.664e-02 2.469e-02 / CHEB/ 3.215e-02 7.002e-02 4.067e-02 1.561e-02 / CHEB/ -2.272e-01 3.118e-02 1.850e-02 7.501e-03 / CHEB/ -1.454e-01 -1.473e-02 -6.677e-03 -6.761e-04 / CHEB/ -5.102e-02 -1.623e-02 -8.337e-03 -2.108e-03 /

2273.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-46.0	-18.3	-9.6	-5.5
log₁₀(k(10 bar)/[mole,m,s])	-45.1	-17.4	-8.6	-4.5

Chebyshev(coeffs=[[-43.5617,1.90147,-0.0649656,-0.0328185],[38.3544,0.0327633,0.0214823,0.0107317],[0.0890904,0.0401926,0.0254836,0.0119218],[-0.253893,0.0204821,0.0130741,0.00620277],[-0.144507,-0.00915326,-0.0052887,-0.00197619],[-0.0338295,-0.0108518,-0.00652303,-0.00270694]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 121.90
S298 (cal/mol*K) = 44.13
G298 (kcal/mol) = 108.75

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(95); C7H11(40)(+M)=>H(25)+C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.356e+01 1.901e+00 -6.497e-02 -3.282e-02 / CHEB/ 3.835e+01 3.276e-02 2.148e-02 1.073e-02 / CHEB/ 8.909e-02 4.019e-02 2.548e-02 1.192e-02 / CHEB/ -2.539e-01 2.048e-02 1.307e-02 6.203e-03 / CHEB/ -1.445e-01 -9.153e-03 -5.289e-03 -1.976e-03 / CHEB/ -3.383e-02 -1.085e-02 -6.523e-03 -2.707e-03 /

2274.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-45.5	-16.3	-7.3	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-44.5	-15.4	-6.3	-2.1

Chebyshev(coeffs=[[-43.0358,1.91792,-0.0546014,-0.0280311],[40.506,0.0258859,0.0171722,0.00876757],[-0.0672652,0.0346937,0.0223285,0.0107638],[-0.300537,0.0179285,0.011595,0.00564465],[-0.160112,-0.0080318,-0.00480437,-0.00196599],[-0.0391025,-0.00961533,-0.0059251,-0.0026044]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 130.05
S298 (cal/mol*K) = 60.14
G298 (kcal/mol) = 112.13

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C5H8(232); C7H11(40), C2H3(100); C7H11(40)(+M)=>C5H8(232)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.304e+01 1.918e+00 -5.460e-02 -2.803e-02 / CHEB/ 4.051e+01 2.589e-02 1.717e-02 8.768e-03 / CHEB/ -6.727e-02 3.469e-02 2.233e-02 1.076e-02 / CHEB/ -3.005e-01 1.793e-02 1.160e-02 5.645e-03 / CHEB/ -1.601e-01 -8.032e-03 -4.804e-03 -1.966e-03 / CHEB/ -3.910e-02 -9.615e-03 -5.925e-03 -2.604e-03 /

2275.

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PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-41.1	-15.3	-7.1	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-40.2	-14.3	-6.1	-2.4

Chebyshev(coeffs=[[-38.8254,1.88276,-0.076549,-0.0379727],[35.7866,0.0411212,0.0266142,0.0129678],[0.0974169,0.0460899,0.028741,0.0129884],[-0.249523,0.023017,0.0144835,0.00667521],[-0.143457,-0.0103166,-0.00572469,-0.00189581],[-0.0337653,-0.012087,-0.00706407,-0.00273232]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 112.70
S298 (cal/mol*K) = 43.03
G298 (kcal/mol) = 99.88

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(96); C7H11(40)(+M)=>H(25)+C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.883e+01 1.883e+00 -7.655e-02 -3.797e-02 / CHEB/ 3.579e+01 4.112e-02 2.661e-02 1.297e-02 / CHEB/ 9.742e-02 4.609e-02 2.874e-02 1.299e-02 / CHEB/ -2.495e-01 2.302e-02 1.448e-02 6.675e-03 / CHEB/ -1.435e-01 -1.032e-02 -5.725e-03 -1.896e-03 / CHEB/ -3.377e-02 -1.209e-02 -7.064e-03 -2.732e-03 /

2276.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-41.1	-15.3	-7.1	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-40.2	-14.3	-6.1	-2.4

Chebyshev(coeffs=[[-38.8254,1.88276,-0.076549,-0.0379727],[35.7866,0.0411212,0.0266142,0.0129678],[0.097417,0.0460899,0.028741,0.0129884],[-0.249523,0.023017,0.0144835,0.00667521],[-0.143457,-0.0103166,-0.00572469,-0.00189581],[-0.0337653,-0.012087,-0.00706407,-0.00273232]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 112.70
S298 (cal/mol*K) = 43.03
G298 (kcal/mol) = 99.88

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(97); C7H11(40)(+M)=>H(25)+C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.883e+01 1.883e+00 -7.655e-02 -3.797e-02 / CHEB/ 3.579e+01 4.112e-02 2.661e-02 1.297e-02 / CHEB/ 9.742e-02 4.609e-02 2.874e-02 1.299e-02 / CHEB/ -2.495e-01 2.302e-02 1.448e-02 6.675e-03 / CHEB/ -1.435e-01 -1.032e-02 -5.725e-03 -1.896e-03 / CHEB/ -3.377e-02 -1.209e-02 -7.064e-03 -2.732e-03 /

2277.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-46.0	-17.8	-8.9	-4.7
log₁₀(k(10 bar)/[mole,m,s])	-45.1	-16.8	-7.9	-3.7

Chebyshev(coeffs=[[-43.4971,1.90542,-0.0624896,-0.0316902],[39.0884,0.0310587,0.0204219,0.0102562],[0.110686,0.0389157,0.024762,0.0116684],[-0.247183,0.0198901,0.0127358,0.00607977],[-0.142554,-0.00889078,-0.00518028,-0.0019806],[-0.0330874,-0.0105671,-0.0063898,-0.00268947]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 124.10
S298 (cal/mol*K) = 43.71
G298 (kcal/mol) = 111.07

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(37); C7H11(40)(+M)=>H(25)+C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.350e+01 1.905e+00 -6.249e-02 -3.169e-02 / CHEB/ 3.909e+01 3.106e-02 2.042e-02 1.026e-02 / CHEB/ 1.107e-01 3.892e-02 2.476e-02 1.167e-02 / CHEB/ -2.472e-01 1.989e-02 1.274e-02 6.080e-03 / CHEB/ -1.426e-01 -8.891e-03 -5.180e-03 -1.981e-03 / CHEB/ -3.309e-02 -1.057e-02 -6.390e-03 -2.689e-03 /

2278.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-0.7	+1.4	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-10.0	-0.3	+2.1	+2.8

Chebyshev(coeffs=[[-9.15304,0.0169255,-0.418441,-0.00938402],[11.5433,1.56299,0.102515,-0.0814949],[0.0203031,0.270894,0.143039,-0.00099854],[-0.390233,-0.016297,0.0513584,0.0254214],[-0.197259,-0.0568881,0.00153952,0.0144638],[-0.0472104,-0.0223564,-0.00795017,0.00331001]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.68
S298 (cal/mol*K) = 9.01
G298 (kcal/mol) = -1.00

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H11(233); C7H11(40)(+M)=>C7H11(233)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.153e+00 1.693e-02 -4.184e-01 -9.384e-03 / CHEB/ 1.154e+01 1.563e+00 1.025e-01 -8.149e-02 / CHEB/ 2.030e-02 2.709e-01 1.430e-01 -9.985e-04 / CHEB/ -3.902e-01 -1.630e-02 5.136e-02 2.542e-02 / CHEB/ -1.973e-01 -5.689e-02 1.540e-03 1.446e-02 / CHEB/ -4.721e-02 -2.236e-02 -7.950e-03 3.310e-03 /

2279.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.1	-5.4	-1.3	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-4.6	-0.4	+1.3

Chebyshev(coeffs=[[-18.0972,1.33716,-0.352173,-0.109731],[18.7682,0.458934,0.225027,0.0515575],[0.128258,0.12321,0.0635843,0.0182298],[-0.27977,0.02636,0.0160315,0.00712633],[-0.153421,-0.0246338,-0.00580147,0.0044047],[-0.0350302,-0.0197116,-0.00666654,0.00131439]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.96
S298 (cal/mol*K) = 14.07
G298 (kcal/mol) = 5.77

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H11(234); C7H11(40)(+M)=>C7H11(234)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.810e+01 1.337e+00 -3.522e-01 -1.097e-01 / CHEB/ 1.877e+01 4.589e-01 2.250e-01 5.156e-02 / CHEB/ 1.283e-01 1.232e-01 6.358e-02 1.823e-02 / CHEB/ -2.798e-01 2.636e-02 1.603e-02 7.126e-03 / CHEB/ -1.534e-01 -2.463e-02 -5.801e-03 4.405e-03 / CHEB/ -3.503e-02 -1.971e-02 -6.667e-03 1.314e-03 /

2280.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.9	-2.4	+0.4	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-12.9	-1.8	+1.3	+2.3

Chebyshev(coeffs=[[-12.3848,0.66694,-0.491177,-0.0513816],[14.2014,1.0358,0.278423,-0.0422887],[0.0629237,0.182419,0.103173,0.0237515],[-0.345183,-0.000676496,0.0226166,0.0191704],[-0.182859,-0.0380091,-0.00520132,0.00832076],[-0.0440503,-0.0188154,-0.00569691,0.0017828]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.10
S298 (cal/mol*K) = 10.10
G298 (kcal/mol) = 22.09

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C7H11(235); C7H11(40)(+M)=>C7H11(235)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.238e+01 6.669e-01 -4.912e-01 -5.138e-02 / CHEB/ 1.420e+01 1.036e+00 2.784e-01 -4.229e-02 / CHEB/ 6.292e-02 1.824e-01 1.032e-01 2.375e-02 / CHEB/ -3.452e-01 -6.765e-04 2.262e-02 1.917e-02 / CHEB/ -1.829e-01 -3.801e-02 -5.201e-03 8.321e-03 / CHEB/ -4.405e-02 -1.882e-02 -5.697e-03 1.783e-03 /

2281.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-42.8	-15.7	-7.2	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-41.9	-14.8	-6.2	-2.3

Chebyshev(coeffs=[[-40.4963,1.89858,-0.0667676,-0.0336337],[37.6161,0.0340013,0.0222491,0.0110724],[0.0232732,0.0411447,0.0260192,0.0121074],[-0.272339,0.0208897,0.0133043,0.00628363],[-0.150953,-0.00933824,-0.00536209,-0.00196891],[-0.0361995,-0.0110515,-0.00661403,-0.0027158]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 111.39
S298 (cal/mol*K) = 52.12
G298 (kcal/mol) = 95.86

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), C6H9(236); C7H11(40), CH2(T)(82); C7H11(40)(+M)=>C6H9(236)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.050e+01 1.899e+00 -6.677e-02 -3.363e-02 / CHEB/ 3.762e+01 3.400e-02 2.225e-02 1.107e-02 / CHEB/ 2.327e-02 4.114e-02 2.602e-02 1.211e-02 / CHEB/ -2.723e-01 2.089e-02 1.330e-02 6.284e-03 / CHEB/ -1.510e-01 -9.338e-03 -5.362e-03 -1.969e-03 / CHEB/ -3.620e-02 -1.105e-02 -6.614e-03 -2.716e-03 /

2282.

→

PDepNetwork #23

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-47.5	-19.4	-10.4	-6.2
log₁₀(k(10 bar)/[mole,m,s])	-46.6	-18.4	-9.5	-5.2

Chebyshev(coeffs=[[-44.9198,1.90489,-0.0628169,-0.0318315],[38.8878,0.0322744,0.0212031,0.0106316],[0.198781,0.0388907,0.0247474,0.0116631],[-0.265569,0.0198756,0.0127282,0.00607796],[-0.138235,-0.00901573,-0.00525273,-0.00200802],[-0.0163364,-0.0106465,-0.00644003,-0.00271293]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 123.10
S298 (cal/mol*K) = 41.09
G298 (kcal/mol) = 110.86

! PDep reaction: PDepNetwork #23 ! Flux pairs: C7H11(40), H(25); C7H11(40), C7H10(237); C7H11(40)(+M)=>H(25)+C7H10(237)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.492e+01 1.905e+00 -6.282e-02 -3.183e-02 / CHEB/ 3.889e+01 3.227e-02 2.120e-02 1.063e-02 / CHEB/ 1.988e-01 3.889e-02 2.475e-02 1.166e-02 / CHEB/ -2.656e-01 1.988e-02 1.273e-02 6.078e-03 / CHEB/ -1.382e-01 -9.016e-03 -5.253e-03 -2.008e-03 / CHEB/ -1.634e-02 -1.065e-02 -6.440e-03 -2.713e-03 /

2295.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.1	+1.2	+2.7	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-5.0	+1.0	+3.1	+3.9

Chebyshev(coeffs=[[1.96266,-0.76353,-0.495598,0.00808218],[6.91204,1.81998,-0.0307045,-0.109659],[0.202188,0.370218,0.15253,-0.0231926],[-0.0467052,0.110137,0.0811865,0.0098859],[-0.0532253,0.0271888,0.0310026,0.0127827],[-0.0620428,-0.0106358,0.00900087,0.00811645]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.31
S298 (cal/mol*K) = 10.85
G298 (kcal/mol) = -10.54

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(447); H(25), C7H11(447); C7H10(1)+H(25)(+M)=>C7H11(447)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.963e+00 -7.635e-01 -4.956e-01 8.082e-03 / CHEB/ 6.912e+00 1.820e+00 -3.070e-02 -1.097e-01 / CHEB/ 2.022e-01 3.702e-01 1.525e-01 -2.319e-02 / CHEB/ -4.671e-02 1.101e-01 8.119e-02 9.886e-03 / CHEB/ -5.323e-02 2.719e-02 3.100e-02 1.278e-02 / CHEB/ -6.204e-02 -1.064e-02 9.001e-03 8.116e-03 /

2296.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	+2.6	+5.5	+6.7
log₁₀(k(10 bar)/[mole,m,s])	-7.0	+1.9	+5.1	+6.6

Chebyshev(coeffs=[[0.848064,-1.72848,-0.586469,-0.0573807],[11.2304,1.13227,0.217142,-0.0597951],[0.569503,0.233677,0.13942,0.0145378],[0.0294657,0.116178,0.0602305,0.0182357],[-0.0727953,0.0306849,0.0224796,0.0111894],[-0.065555,-0.0155352,0.00294152,0.0068522]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.03
S298 (cal/mol*K) = 52.83
G298 (kcal/mol) = 6.29

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(448); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(448)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.481e-01 -1.728e+00 -5.865e-01 -5.738e-02 / CHEB/ 1.123e+01 1.132e+00 2.171e-01 -5.980e-02 / CHEB/ 5.695e-01 2.337e-01 1.394e-01 1.454e-02 / CHEB/ 2.947e-02 1.162e-01 6.023e-02 1.824e-02 / CHEB/ -7.280e-02 3.068e-02 2.248e-02 1.119e-02 / CHEB/ -6.555e-02 -1.554e-02 2.942e-03 6.852e-03 /

2297.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.3	-5.9	+0.1	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-25.6	-6.1	+0.0	+2.8

Chebyshev(coeffs=[[-18.1403,-0.440616,-0.265806,-0.11238],[27.418,0.180867,0.105763,0.0414758],[-0.184173,0.122775,0.0706022,0.0265102],[-0.118665,0.0851878,0.0483809,0.0176253],[-0.084563,0.00780788,0.00755105,0.00579921],[-0.0541331,-0.0178981,-0.00800964,-0.000783364]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.93
S298 (cal/mol*K) = 64.42
G298 (kcal/mol) = 67.73

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(449); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(449)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.814e+01 -4.406e-01 -2.658e-01 -1.124e-01 / CHEB/ 2.742e+01 1.809e-01 1.058e-01 4.148e-02 / CHEB/ -1.842e-01 1.228e-01 7.060e-02 2.651e-02 / CHEB/ -1.187e-01 8.519e-02 4.838e-02 1.763e-02 / CHEB/ -8.456e-02 7.808e-03 7.551e-03 5.799e-03 / CHEB/ -5.413e-02 -1.790e-02 -8.010e-03 -7.834e-04 /

2298.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.7	-11.2	-4.3	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-32.9	-11.3	-4.4	-1.1

Chebyshev(coeffs=[[-25.1958,-0.356793,-0.220324,-0.0978591],[30.3624,0.141976,0.0858139,0.0362725],[-0.0775795,0.104565,0.0615518,0.0244806],[-0.0914068,0.0714393,0.041894,0.016529],[-0.0736117,0.00485513,0.00526551,0.00443816],[-0.0483905,-0.0158049,-0.00762493,-0.00139418]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 95.60
S298 (cal/mol*K) = 50.55
G298 (kcal/mol) = 80.54

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(109); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(109)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.520e+01 -3.568e-01 -2.203e-01 -9.786e-02 / CHEB/ 3.036e+01 1.420e-01 8.581e-02 3.627e-02 / CHEB/ -7.758e-02 1.046e-01 6.155e-02 2.448e-02 / CHEB/ -9.141e-02 7.144e-02 4.189e-02 1.653e-02 / CHEB/ -7.361e-02 4.855e-03 5.266e-03 4.438e-03 / CHEB/ -4.839e-02 -1.580e-02 -7.625e-03 -1.394e-03 /

2299.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.1	-6.6	-0.6	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-25.5	-6.8	-0.7	+2.2

Chebyshev(coeffs=[[-17.8708,-0.488609,-0.287172,-0.114717],[26.1705,0.204472,0.114465,0.0403881],[0.0200643,0.135449,0.0760588,0.0267599],[-0.0513398,0.0901058,0.0498352,0.0169644],[-0.0580914,0.00801129,0.00826129,0.00654359],[-0.0472754,-0.0187125,-0.00765913,6.8296e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.74
S298 (cal/mol*K) = 54.08
G298 (kcal/mol) = 56.62

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H6(450); H(25), C3H5(98); C7H10(1)+H(25)(+M)=>C3H5(98)+C4H6(450)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.787e+01 -4.886e-01 -2.872e-01 -1.147e-01 / CHEB/ 2.617e+01 2.045e-01 1.145e-01 4.039e-02 / CHEB/ 2.006e-02 1.354e-01 7.606e-02 2.676e-02 / CHEB/ -5.134e-02 9.011e-02 4.984e-02 1.696e-02 / CHEB/ -5.809e-02 8.011e-03 8.261e-03 6.544e-03 / CHEB/ -4.728e-02 -1.871e-02 -7.659e-03 6.830e-05 /

2300.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.1	-13.5	-6.2	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-36.3	-13.7	-6.3	-2.8

Chebyshev(coeffs=[[-28.3865,-0.321081,-0.200655,-0.0913449],[31.7533,0.1343,0.0824124,0.0360118],[0.00553617,0.0952408,0.0570575,0.0236549],[-0.0734891,0.0639748,0.0382534,0.0158002],[-0.0681913,0.0025814,0.00364327,0.00354402],[-0.0455792,-0.0153846,-0.00782986,-0.00189742]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.45
S298 (cal/mol*K) = 42.46
G298 (kcal/mol) = 86.80

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(451); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(451)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.839e+01 -3.211e-01 -2.007e-01 -9.134e-02 / CHEB/ 3.175e+01 1.343e-01 8.241e-02 3.601e-02 / CHEB/ 5.536e-03 9.524e-02 5.706e-02 2.365e-02 / CHEB/ -7.349e-02 6.397e-02 3.825e-02 1.580e-02 / CHEB/ -6.819e-02 2.581e-03 3.643e-03 3.544e-03 / CHEB/ -4.558e-02 -1.538e-02 -7.830e-03 -1.897e-03 /

2322.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.5	+2.5	+4.0	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-6.2	+1.8	+3.8	+4.0

Chebyshev(coeffs=[[1.82212,-2.27463,-0.35369,0.00846504],[8.89997,1.7007,0.0718333,-0.0665385],[0.0246207,0.469315,0.123783,0.00121722],[-0.35293,-0.0202024,0.0467655,0.0101713],[-0.243882,-0.0843409,0.000164352,0.00478998],[-0.106422,-0.0468264,-0.00906829,0.0015407]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.06
S298 (cal/mol*K) = 30.96
G298 (kcal/mol) = 14.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(452); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C2H3(100)+C5H7(452)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.822e+00 -2.275e+00 -3.537e-01 8.465e-03 / CHEB/ 8.900e+00 1.701e+00 7.183e-02 -6.654e-02 / CHEB/ 2.462e-02 4.693e-01 1.238e-01 1.217e-03 / CHEB/ -3.529e-01 -2.020e-02 4.677e-02 1.017e-02 / CHEB/ -2.439e-01 -8.434e-02 1.644e-04 4.790e-03 / CHEB/ -1.064e-01 -4.683e-02 -9.068e-03 1.541e-03 /

2323.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+1.6	+3.0	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-6.5	+0.7	+2.6	+2.9

Chebyshev(coeffs=[[2.22786,-2.70548,-0.24963,0.00698018],[6.94577,1.83513,-0.0858081,-0.0497593],[0.45774,0.591963,0.110571,-0.0150708],[-0.344728,0.0210316,0.0604836,0.0106051],[-0.253839,-0.0795885,0.0064905,0.00529947],[-0.11131,-0.0504448,-0.00570988,-0.00064163]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.55
S298 (cal/mol*K) = 8.04
G298 (kcal/mol) = 7.15

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(453); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(453)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.228e+00 -2.705e+00 -2.496e-01 6.980e-03 / CHEB/ 6.946e+00 1.835e+00 -8.581e-02 -4.976e-02 / CHEB/ 4.577e-01 5.920e-01 1.106e-01 -1.507e-02 / CHEB/ -3.447e-01 2.103e-02 6.048e-02 1.061e-02 / CHEB/ -2.538e-01 -7.959e-02 6.490e-03 5.299e-03 / CHEB/ -1.113e-01 -5.044e-02 -5.710e-03 -6.416e-04 /

2324.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.2	-3.5	-0.9	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-4.0	-1.0	-0.2

Chebyshev(coeffs=[[-6.77736,-1.7115,-0.429611,-0.0143758],[13.1706,1.36189,0.219261,-0.0476253],[0.00254848,0.337358,0.123244,0.0107554],[-0.269854,-0.0398031,0.0265162,0.0130705],[-0.195843,-0.0746526,-0.0107572,0.00560046],[-0.0875461,-0.0386712,-0.0126695,0.000684315]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.85
S298 (cal/mol*K) = 14.92
G298 (kcal/mol) = 35.41

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(454); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(454)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.777e+00 -1.711e+00 -4.296e-01 -1.438e-02 / CHEB/ 1.317e+01 1.362e+00 2.193e-01 -4.763e-02 / CHEB/ 2.548e-03 3.374e-01 1.232e-01 1.076e-02 / CHEB/ -2.699e-01 -3.980e-02 2.652e-02 1.307e-02 / CHEB/ -1.958e-01 -7.465e-02 -1.076e-02 5.600e-03 / CHEB/ -8.755e-02 -3.867e-02 -1.267e-02 6.843e-04 /

2325.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.6	-2.5	-0.2	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-3.1	-0.3	+0.4

Chebyshev(coeffs=[[-5.10004,-1.90338,-0.411915,-0.00530946],[12.0273,1.48804,0.176764,-0.0556527],[0.071191,0.380454,0.125442,0.00659157],[-0.274621,-0.0357334,0.0337026,0.012135],[-0.204462,-0.0791236,-0.00713004,0.0060215],[-0.0916333,-0.0417656,-0.0116921,0.00124733]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.15
S298 (cal/mol*K) = 14.92
G298 (kcal/mol) = 30.71

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(455); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(455)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.100e+00 -1.903e+00 -4.119e-01 -5.309e-03 / CHEB/ 1.203e+01 1.488e+00 1.768e-01 -5.565e-02 / CHEB/ 7.119e-02 3.805e-01 1.254e-01 6.592e-03 / CHEB/ -2.746e-01 -3.573e-02 3.370e-02 1.213e-02 / CHEB/ -2.045e-01 -7.912e-02 -7.130e-03 6.022e-03 / CHEB/ -9.163e-02 -4.177e-02 -1.169e-02 1.247e-03 /

2326.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.3	-1.9	+0.6	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-2.5	+0.4	+1.2

Chebyshev(coeffs=[[-4.86811,-1.82047,-0.420721,-0.0089493],[12.6123,1.43458,0.196225,-0.052543],[0.0616027,0.36158,0.124767,0.00827701],[-0.266173,-0.0377115,0.0306049,0.0126178],[-0.198658,-0.0772647,-0.00874423,0.00592707],[-0.0891273,-0.0405133,-0.0121371,0.00102097]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.35
S298 (cal/mol*K) = 14.50
G298 (kcal/mol) = 33.03

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(456); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(456)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.868e+00 -1.820e+00 -4.207e-01 -8.949e-03 / CHEB/ 1.261e+01 1.435e+00 1.962e-01 -5.254e-02 / CHEB/ 6.160e-02 3.616e-01 1.248e-01 8.277e-03 / CHEB/ -2.662e-01 -3.771e-02 3.060e-02 1.262e-02 / CHEB/ -1.987e-01 -7.726e-02 -8.744e-03 5.927e-03 / CHEB/ -8.913e-02 -4.051e-02 -1.214e-02 1.021e-03 /

2327.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+3.4	+4.4	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+2.4	+3.8	+3.8

Chebyshev(coeffs=[[5.24183,-2.91062,-0.20359,0.000133831],[5.04095,1.76025,-0.144507,-0.030607],[0.457497,0.672724,0.078723,-0.022841],[-0.3863,0.066082,0.0665681,0.00699479],[-0.278769,-0.0702777,0.0118455,0.00805707],[-0.124814,-0.0499119,-0.00516038,-0.000512882]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.86
S298 (cal/mol*K) = -5.35
G298 (kcal/mol) = -9.26

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(457); H(25), C7H10(457); C7H9(5)+H(25)(+M)=>C7H10(457)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.242e+00 -2.911e+00 -2.036e-01 1.338e-04 / CHEB/ 5.041e+00 1.760e+00 -1.445e-01 -3.061e-02 / CHEB/ 4.575e-01 6.727e-01 7.872e-02 -2.284e-02 / CHEB/ -3.863e-01 6.608e-02 6.657e-02 6.995e-03 / CHEB/ -2.788e-01 -7.028e-02 1.185e-02 8.057e-03 / CHEB/ -1.248e-01 -4.991e-02 -5.160e-03 -5.129e-04 /

2328.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-2.5	-0.8	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-3.3	-1.1	-0.6

Chebyshev(coeffs=[[-2.4911,-2.53324,-0.292039,0.0110586],[8.08979,1.82043,-0.0219787,-0.0625347],[0.401682,0.53559,0.121267,-0.00652977],[-0.290622,-0.00343802,0.0550179,0.0109976],[-0.227562,-0.0849561,0.00365501,0.00415507],[-0.0866069,-0.0504335,-0.00706576,0.000410033]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.34
S298 (cal/mol*K) = -7.40
G298 (kcal/mol) = 8.55

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(458); H(25), C7H10(458); C7H9(5)+H(25)(+M)=>C7H10(458)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.491e+00 -2.533e+00 -2.920e-01 1.106e-02 / CHEB/ 8.090e+00 1.820e+00 -2.198e-02 -6.253e-02 / CHEB/ 4.017e-01 5.356e-01 1.213e-01 -6.530e-03 / CHEB/ -2.906e-01 -3.438e-03 5.502e-02 1.100e-02 / CHEB/ -2.276e-01 -8.496e-02 3.655e-03 4.155e-03 / CHEB/ -8.661e-02 -5.043e-02 -7.066e-03 4.100e-04 /

2329.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-1.3	+0.2	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-2.2	-0.2	+0.1

Chebyshev(coeffs=[[-1.03423,-2.61484,-0.273639,0.00990234],[7.47358,1.82788,-0.0514997,-0.0576987],[0.376575,0.561044,0.116526,-0.0103553],[-0.339505,0.00884753,0.057338,0.0109123],[-0.250035,-0.0817973,0.00520448,0.00446214],[-0.108983,-0.0501223,-0.00623118,-0.000118362]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.69
S298 (cal/mol*K) = -6.38
G298 (kcal/mol) = 5.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(459); H(25), C7H10(459); C7H9(5)+H(25)(+M)=>C7H10(459)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.034e+00 -2.615e+00 -2.736e-01 9.902e-03 / CHEB/ 7.474e+00 1.828e+00 -5.150e-02 -5.770e-02 / CHEB/ 3.766e-01 5.610e-01 1.165e-01 -1.036e-02 / CHEB/ -3.395e-01 8.848e-03 5.734e-02 1.091e-02 / CHEB/ -2.500e-01 -8.180e-02 5.204e-03 4.462e-03 / CHEB/ -1.090e-01 -5.012e-02 -6.231e-03 -1.184e-04 /

2330.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	+0.5	+2.4	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-0.3	+2.1	+2.7

Chebyshev(coeffs=[[-0.479317,-2.32463,-0.33835,0.00964008],[9.48848,1.74913,0.052944,-0.0670346],[0.315883,0.477444,0.126517,0.000766116],[-0.27963,-0.02272,0.0486402,0.0105605],[-0.224223,-0.0861162,0.000160664,0.00454569],[-0.0898115,-0.0480223,-0.00904118,0.00143933]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.50
S298 (cal/mol*K) = 4.41
G298 (kcal/mol) = 19.19

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(460); H(25), C7H10(460); C7H9(5)+H(25)(+M)=>C7H10(460)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.793e-01 -2.325e+00 -3.384e-01 9.640e-03 / CHEB/ 9.488e+00 1.749e+00 5.294e-02 -6.703e-02 / CHEB/ 3.159e-01 4.774e-01 1.265e-01 7.661e-04 / CHEB/ -2.796e-01 -2.272e-02 4.864e-02 1.056e-02 / CHEB/ -2.242e-01 -8.612e-02 1.607e-04 4.546e-03 / CHEB/ -8.981e-02 -4.802e-02 -9.041e-03 1.439e-03 /

2331.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	+4.8	+6.5	+6.8
log₁₀(k(10 bar)/[mole,m,s])	-4.2	+4.0	+6.2	+6.6

Chebyshev(coeffs=[[4.35488,-2.48001,-0.308331,0.0118827],[8.60665,1.79035,0.00033526,-0.0655006],[0.349389,0.522092,0.120603,-0.00411556],[-0.307387,-0.00502999,0.0531349,0.0105416],[-0.235759,-0.0838555,0.00346224,0.00404657],[-0.103514,-0.0490898,-0.00730087,0.000743256]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.65
S298 (cal/mol*K) = 7.64
G298 (kcal/mol) = -3.93

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(461); H(25), C7H10(461); C7H9(5)+H(25)(+M)=>C7H10(461)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.355e+00 -2.480e+00 -3.083e-01 1.188e-02 / CHEB/ 8.607e+00 1.790e+00 3.353e-04 -6.550e-02 / CHEB/ 3.494e-01 5.221e-01 1.206e-01 -4.116e-03 / CHEB/ -3.074e-01 -5.030e-03 5.313e-02 1.054e-02 / CHEB/ -2.358e-01 -8.386e-02 3.462e-03 4.047e-03 / CHEB/ -1.035e-01 -4.909e-02 -7.301e-03 7.433e-04 /

2332.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	+0.2	+1.7	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-8.1	-0.7	+1.3	+1.5

Chebyshev(coeffs=[[0.532629,-2.63635,-0.267917,0.00929248],[7.37077,1.83124,-0.0598123,-0.0559595],[0.400053,0.567964,0.11544,-0.011476],[-0.339431,0.0114751,0.0580579,0.0108987],[-0.250517,-0.0813364,0.00548548,0.00462168],[-0.109319,-0.0502311,-0.00608819,-0.000255964]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.62
S298 (cal/mol*K) = -11.17
G298 (kcal/mol) = 6.95

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(462); H(25), C7H10(462); C7H9(5)+H(25)(+M)=>C7H10(462)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.326e-01 -2.636e+00 -2.679e-01 9.292e-03 / CHEB/ 7.371e+00 1.831e+00 -5.981e-02 -5.596e-02 / CHEB/ 4.001e-01 5.680e-01 1.154e-01 -1.148e-02 / CHEB/ -3.394e-01 1.148e-02 5.806e-02 1.090e-02 / CHEB/ -2.505e-01 -8.134e-02 5.485e-03 4.622e-03 / CHEB/ -1.093e-01 -5.023e-02 -6.088e-03 -2.560e-04 /

2333.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+1.3	+2.1	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-5.7	+0.2	+1.6	+1.5

Chebyshev(coeffs=[[3.04082,-2.86623,-0.211879,0.00131043],[5.04835,1.78878,-0.135075,-0.0343925],[0.381764,0.656029,0.0877706,-0.0217582],[-0.40658,0.0536729,0.0658182,0.00810716],[-0.281321,-0.0731282,0.0102745,0.00746256],[-0.124522,-0.0501576,-0.00527285,-0.000760444]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.61
S298 (cal/mol*K) = -18.28
G298 (kcal/mol) = 3.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(463); H(25), C7H10(463); C7H9(5)+H(25)(+M)=>C7H10(463)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.041e+00 -2.866e+00 -2.119e-01 1.310e-03 / CHEB/ 5.048e+00 1.789e+00 -1.351e-01 -3.439e-02 / CHEB/ 3.818e-01 6.560e-01 8.777e-02 -2.176e-02 / CHEB/ -4.066e-01 5.367e-02 6.582e-02 8.107e-03 / CHEB/ -2.813e-01 -7.313e-02 1.027e-02 7.463e-03 / CHEB/ -1.245e-01 -5.016e-02 -5.273e-03 -7.604e-04 /

2357.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.9	+0.8	+2.7	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-0.2	+2.1	+3.1

Chebyshev(coeffs=[[1.36408,-2.65189,-0.508505,0.00203767],[7.43326,1.79142,-0.00248348,-0.108077],[0.441874,0.333191,0.161636,-0.0184756],[0.0182138,0.102736,0.0794635,0.0125858],[-0.0736784,0.0285109,0.0283466,0.0135245],[-0.0745597,-0.0100314,0.00768146,0.00799757]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.43
S298 (cal/mol*K) = -0.18
G298 (kcal/mol) = -19.38

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(464); H(25), C7H11(464); C7H10(1)+H(25)(+M)=>C7H11(464)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.364e+00 -2.652e+00 -5.085e-01 2.038e-03 / CHEB/ 7.433e+00 1.791e+00 -2.483e-03 -1.081e-01 / CHEB/ 4.419e-01 3.332e-01 1.616e-01 -1.848e-02 / CHEB/ 1.821e-02 1.027e-01 7.946e-02 1.259e-02 / CHEB/ -7.368e-02 2.851e-02 2.835e-02 1.352e-02 / CHEB/ -7.456e-02 -1.003e-02 7.681e-03 7.998e-03 /

2358.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.1	-4.0	-0.1	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-16.0	-4.5	-0.3	+1.6

Chebyshev(coeffs=[[-8.22818,-1.23523,-0.545529,-0.108795],[15.2589,0.713195,0.242671,0.00171643],[0.61556,0.230746,0.121011,0.0242381],[0.0781181,0.129679,0.0605755,0.0143903],[-0.0556415,0.0227939,0.0195311,0.0110903],[-0.0580618,-0.0216851,-0.00198868,0.00629879]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.48
S298 (cal/mol*K) = 32.13
G298 (kcal/mol) = 28.91

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(465); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(465)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.228e+00 -1.235e+00 -5.455e-01 -1.088e-01 / CHEB/ 1.526e+01 7.132e-01 2.427e-01 1.716e-03 / CHEB/ 6.156e-01 2.307e-01 1.210e-01 2.424e-02 / CHEB/ 7.812e-02 1.297e-01 6.058e-02 1.439e-02 / CHEB/ -5.564e-02 2.279e-02 1.953e-02 1.109e-02 / CHEB/ -5.806e-02 -2.169e-02 -1.989e-03 6.299e-03 /

2359.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.3	-2.1	+0.2	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-3.1	-0.2	+1.4

Chebyshev(coeffs=[[-2.32,-2.48968,-0.86126,-0.0716316],[8.93114,1.75201,0.470793,-0.0446558],[0.531685,0.399218,0.186273,0.0366717],[0.148003,0.164821,0.0665057,0.0107277],[0.0308963,0.0435567,0.0236631,0.00268688],[0.000802575,-0.0267816,-0.000218278,0.00332084]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.91
S298 (cal/mol*K) = 12.37
G298 (kcal/mol) = -15.59

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(466); H(25), C7H11(466); C7H10(1)+H(25)(+M)=>C7H11(466)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.320e+00 -2.490e+00 -8.613e-01 -7.163e-02 / CHEB/ 8.931e+00 1.752e+00 4.708e-01 -4.466e-02 / CHEB/ 5.317e-01 3.992e-01 1.863e-01 3.667e-02 / CHEB/ 1.480e-01 1.648e-01 6.651e-02 1.073e-02 / CHEB/ 3.090e-02 4.356e-02 2.366e-02 2.687e-03 / CHEB/ 8.026e-04 -2.678e-02 -2.183e-04 3.321e-03 /

2360.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-1.5	+1.0	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-2.5	+0.6	+2.2

Chebyshev(coeffs=[[-1.6015,-2.51963,-0.856598,-0.0659126],[8.94054,1.81187,0.473576,-0.0516868],[0.633671,0.403212,0.183227,0.0317359],[0.201672,0.135574,0.0526777,0.00642243],[0.0384564,0.0110312,0.0106231,0.000870895],[-0.0217099,-0.0457502,-0.00434296,0.00573635]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.91
S298 (cal/mol*K) = 12.37
G298 (kcal/mol) = -15.59

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(467); H(25), C7H11(467); C7H10(1)+H(25)(+M)=>C7H11(467)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.602e+00 -2.520e+00 -8.566e-01 -6.591e-02 / CHEB/ 8.941e+00 1.812e+00 4.736e-01 -5.169e-02 / CHEB/ 6.337e-01 4.032e-01 1.832e-01 3.174e-02 / CHEB/ 2.017e-01 1.356e-01 5.268e-02 6.422e-03 / CHEB/ 3.846e-02 1.103e-02 1.062e-02 8.709e-04 / CHEB/ -2.171e-02 -4.575e-02 -4.343e-03 5.736e-03 /

2361.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.6	-3.7	-0.3	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-13.1	-4.4	-0.6	+1.5

Chebyshev(coeffs=[[-5.23147,-1.9052,-0.795816,-0.132613],[11.5429,1.30491,0.488493,0.0345067],[0.784553,0.380333,0.158319,0.0273158],[0.329033,0.136497,0.0451144,-0.000436112],[0.0710295,-0.0169655,0.00186604,0.00245906],[-0.0430014,-0.0619291,-0.0101317,0.00824522]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.41
S298 (cal/mol*K) = 11.64
G298 (kcal/mol) = -5.88

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(468); H(25), C7H11(468); C7H10(1)+H(25)(+M)=>C7H11(468)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.231e+00 -1.905e+00 -7.958e-01 -1.326e-01 / CHEB/ 1.154e+01 1.305e+00 4.885e-01 3.451e-02 / CHEB/ 7.846e-01 3.803e-01 1.583e-01 2.732e-02 / CHEB/ 3.290e-01 1.365e-01 4.511e-02 -4.361e-04 / CHEB/ 7.103e-02 -1.697e-02 1.866e-03 2.459e-03 / CHEB/ -4.300e-02 -6.193e-02 -1.013e-02 8.245e-03 /

2362.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.3	+1.7	+1.9	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-3.3	+0.9	+2.0	+2.2

Chebyshev(coeffs=[[4.34801,-2.51231,-0.541597,-0.013773],[3.34188,3.02262,-0.150718,-0.0596671],[0.0163279,0.622159,0.217856,-0.0144738],[-0.203435,0.153898,0.117365,0.00719628],[-0.139456,0.0371507,0.0421286,0.00399104],[-0.06051,0.00893751,0.00980437,0.00192806]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.90
S298 (cal/mol*K) = 5.92
G298 (kcal/mol) = -24.66

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(469); H(25), C7H11(469); C7H10(1)+H(25)(+M)=>C7H11(469)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.348e+00 -2.512e+00 -5.416e-01 -1.377e-02 / CHEB/ 3.342e+00 3.023e+00 -1.507e-01 -5.967e-02 / CHEB/ 1.633e-02 6.222e-01 2.179e-01 -1.447e-02 / CHEB/ -2.034e-01 1.539e-01 1.174e-01 7.196e-03 / CHEB/ -1.395e-01 3.715e-02 4.213e-02 3.991e-03 / CHEB/ -6.051e-02 8.938e-03 9.804e-03 1.928e-03 /

2363.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-0.8	+1.6	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-1.7	+1.1	+2.4

Chebyshev(coeffs=[[-1.05843,-2.35564,-0.543011,-0.0132839],[8.84392,1.65696,0.0806899,-0.100967],[0.656068,0.263767,0.172056,-0.00527028],[0.0502489,0.098926,0.0716507,0.018636],[-0.0695805,0.0318759,0.0235412,0.0138214],[-0.0708756,-0.0112892,0.00574741,0.0072386]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.59
S298 (cal/mol*K) = 8.94
G298 (kcal/mol) = -2.07

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(470); H(25), C7H11(470); C7H10(1)+H(25)(+M)=>C7H11(470)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.058e+00 -2.356e+00 -5.430e-01 -1.328e-02 / CHEB/ 8.844e+00 1.657e+00 8.069e-02 -1.010e-01 / CHEB/ 6.561e-01 2.638e-01 1.721e-01 -5.270e-03 / CHEB/ 5.025e-02 9.893e-02 7.165e-02 1.864e-02 / CHEB/ -6.958e-02 3.188e-02 2.354e-02 1.382e-02 / CHEB/ -7.088e-02 -1.129e-02 5.747e-03 7.239e-03 /

2364.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-3.9	-1.2	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-4.7	-1.6	-0.1

Chebyshev(coeffs=[[-5.21509,-1.98323,-0.591424,-0.0354426],[10.4763,1.33928,0.185451,-0.0832522],[0.674989,0.25272,0.153897,0.0088287],[0.0564477,0.11207,0.0643104,0.0198618],[-0.0683591,0.0334729,0.0236739,0.0119472],[-0.0662782,-0.0134435,0.00494671,0.00728847]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.79
S298 (cal/mol*K) = 8.52
G298 (kcal/mol) = 0.25

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(471); H(25), C7H11(471); C7H10(1)+H(25)(+M)=>C7H11(471)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.215e+00 -1.983e+00 -5.914e-01 -3.544e-02 / CHEB/ 1.048e+01 1.339e+00 1.855e-01 -8.325e-02 / CHEB/ 6.750e-01 2.527e-01 1.539e-01 8.829e-03 / CHEB/ 5.645e-02 1.121e-01 6.431e-02 1.986e-02 / CHEB/ -6.836e-02 3.347e-02 2.367e-02 1.195e-02 / CHEB/ -6.628e-02 -1.344e-02 4.947e-03 7.288e-03 /

2365.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.8	-6.1	-0.9	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-23.2	-6.4	-1.1	+1.4

Chebyshev(coeffs=[[-15.8552,-0.588379,-0.336013,-0.125815],[23.5342,0.240949,0.129387,0.0410393],[-0.101291,0.158009,0.0860467,0.0277118],[-0.0843778,0.106826,0.0566275,0.0170297],[-0.0828492,0.0131379,0.0115156,0.00790382],[-0.058619,-0.0200289,-0.00718416,0.00127637]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.22
S298 (cal/mol*K) = 53.52
G298 (kcal/mol) = 58.27

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H6(472); H(25), C3H5(98); C7H10(1)+H(25)(+M)=>C3H5(98)+C4H6(472)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.586e+01 -5.884e-01 -3.360e-01 -1.258e-01 / CHEB/ 2.353e+01 2.409e-01 1.294e-01 4.104e-02 / CHEB/ -1.013e-01 1.580e-01 8.605e-02 2.771e-02 / CHEB/ -8.438e-02 1.068e-01 5.663e-02 1.703e-02 / CHEB/ -8.285e-02 1.314e-02 1.152e-02 7.904e-03 / CHEB/ -5.862e-02 -2.003e-02 -7.184e-03 1.276e-03 /

2366.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.9	-11.7	-5.3	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-32.2	-11.9	-5.4	-2.3

Chebyshev(coeffs=[[-24.5116,-0.428698,-0.259311,-0.110252],[28.4021,0.167649,0.0987244,0.0393408],[-0.0442,0.123067,0.0705857,0.0263274],[-0.0719403,0.0850197,0.0482915,0.0175891],[-0.0734522,0.00805562,0.00758882,0.00572131],[-0.051415,-0.0175335,-0.00781115,-0.000717403]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 89.19
S298 (cal/mol*K) = 43.51
G298 (kcal/mol) = 76.23

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(473); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(473)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.451e+01 -4.287e-01 -2.593e-01 -1.103e-01 / CHEB/ 2.840e+01 1.676e-01 9.872e-02 3.934e-02 / CHEB/ -4.420e-02 1.231e-01 7.059e-02 2.633e-02 / CHEB/ -7.194e-02 8.502e-02 4.829e-02 1.759e-02 / CHEB/ -7.345e-02 8.056e-03 7.589e-03 5.721e-03 / CHEB/ -5.142e-02 -1.753e-02 -7.811e-03 -7.174e-04 /

2367.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.3	-11.0	-4.5	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-31.6	-11.3	-4.6	-1.6

Chebyshev(coeffs=[[-23.8828,-0.428698,-0.259311,-0.110252],[28.5142,0.167649,0.0987244,0.0393408],[-0.0194579,0.123067,0.0705857,0.0263274],[-0.0646558,0.0850197,0.0482915,0.0175891],[-0.0710403,0.00805562,0.00758882,0.00572131],[-0.0505653,-0.0175335,-0.00781115,-0.000717403]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 89.19
S298 (cal/mol*K) = 43.51
G298 (kcal/mol) = 76.23

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(474); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(474)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.388e+01 -4.287e-01 -2.593e-01 -1.103e-01 / CHEB/ 2.851e+01 1.676e-01 9.872e-02 3.934e-02 / CHEB/ -1.946e-02 1.231e-01 7.059e-02 2.633e-02 / CHEB/ -6.466e-02 8.502e-02 4.829e-02 1.759e-02 / CHEB/ -7.104e-02 8.056e-03 7.589e-03 5.721e-03 / CHEB/ -5.057e-02 -1.753e-02 -7.811e-03 -7.174e-04 /

2368.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.6	-13.4	-6.3	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-35.9	-13.6	-6.4	-3.0

Chebyshev(coeffs=[[-28.053,-0.346363,-0.21559,-0.0973396],[31.2779,0.132561,0.0813585,0.0355587],[-0.0593984,0.102823,0.0608859,0.0245624],[-0.0806178,0.0719321,0.042447,0.0169868],[-0.0737791,0.00559036,0.00549493,0.00434536],[-0.0491428,-0.0156523,-0.00770334,-0.00157945]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.69
S298 (cal/mol*K) = 42.78
G298 (kcal/mol) = 85.95

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(475); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(475)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.805e+01 -3.464e-01 -2.156e-01 -9.734e-02 / CHEB/ 3.128e+01 1.326e-01 8.136e-02 3.556e-02 / CHEB/ -5.940e-02 1.028e-01 6.089e-02 2.456e-02 / CHEB/ -8.062e-02 7.193e-02 4.245e-02 1.699e-02 / CHEB/ -7.378e-02 5.590e-03 5.495e-03 4.345e-03 / CHEB/ -4.914e-02 -1.565e-02 -7.703e-03 -1.579e-03 /

2369.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.1	-10.5	-4.1	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-31.3	-10.7	-4.2	-1.3

Chebyshev(coeffs=[[-23.7741,-0.385948,-0.236968,-0.103999],[29.0198,0.149252,0.0898477,0.0376377],[-0.231839,0.112731,0.0657111,0.0255244],[-0.129199,0.0783755,0.045402,0.0173763],[-0.0911045,0.00675412,0.00649904,0.00502189],[-0.0564425,-0.0166124,-0.0078011,-0.00118939]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 93.02
S298 (cal/mol*K) = 52.64
G298 (kcal/mol) = 77.33

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(476); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(476)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.377e+01 -3.859e-01 -2.370e-01 -1.040e-01 / CHEB/ 2.902e+01 1.493e-01 8.985e-02 3.764e-02 / CHEB/ -2.318e-01 1.127e-01 6.571e-02 2.552e-02 / CHEB/ -1.292e-01 7.838e-02 4.540e-02 1.738e-02 / CHEB/ -9.110e-02 6.754e-03 6.499e-03 5.022e-03 / CHEB/ -5.644e-02 -1.661e-02 -7.801e-03 -1.189e-03 /

2370.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.1	-9.7	-3.8	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-28.5	-10.0	-3.9	-1.1

Chebyshev(coeffs=[[-20.8117,-0.536548,-0.312177,-0.122108],[25.7849,0.221857,0.122934,0.0425482],[0.128573,0.146596,0.0812286,0.0275246],[-0.0345952,0.0999148,0.0542363,0.0175015],[-0.0778441,0.0109499,0.0100049,0.0071823],[-0.0538928,-0.0195854,-0.00764282,0.000511092]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.20
S298 (cal/mol*K) = 37.06
G298 (kcal/mol) = 67.16

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(477); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(477)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.081e+01 -5.365e-01 -3.122e-01 -1.221e-01 / CHEB/ 2.578e+01 2.219e-01 1.229e-01 4.255e-02 / CHEB/ 1.286e-01 1.466e-01 8.123e-02 2.752e-02 / CHEB/ -3.460e-02 9.991e-02 5.424e-02 1.750e-02 / CHEB/ -7.784e-02 1.095e-02 1.000e-02 7.182e-03 / CHEB/ -5.389e-02 -1.959e-02 -7.643e-03 5.111e-04 /

2371.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.8	-14.9	-7.5	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-38.0	-15.1	-7.6	-4.1

Chebyshev(coeffs=[[-30.1259,-0.323739,-0.203071,-0.0931459],[32.2696,0.123153,0.076391,0.0341531],[-0.0401841,0.0970173,0.0579852,0.0239051],[-0.0763567,0.0681207,0.0406286,0.0166692],[-0.0716243,0.00494588,0.00492701,0.00394997],[-0.047646,-0.0150541,-0.00760454,-0.00177694]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 101.69
S298 (cal/mol*K) = 40.08
G298 (kcal/mol) = 89.75

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(478); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(478)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.013e+01 -3.237e-01 -2.031e-01 -9.315e-02 / CHEB/ 3.227e+01 1.232e-01 7.639e-02 3.415e-02 / CHEB/ -4.018e-02 9.702e-02 5.799e-02 2.391e-02 / CHEB/ -7.636e-02 6.812e-02 4.063e-02 1.667e-02 / CHEB/ -7.162e-02 4.946e-03 4.927e-03 3.950e-03 / CHEB/ -4.765e-02 -1.505e-02 -7.605e-03 -1.777e-03 /

2372.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.8	-14.3	-6.8	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-38.0	-14.5	-6.9	-3.3

Chebyshev(coeffs=[[-30.0197,-0.308226,-0.194362,-0.090104],[32.9767,0.116744,0.0729318,0.0330966],[-0.0275256,0.0929859,0.0559377,0.0234061],[-0.0735797,0.0654515,0.0393242,0.0164074],[-0.0701846,0.00451345,0.00454138,0.00367656],[-0.0466057,-0.0146221,-0.00751713,-0.00189982]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 103.89
S298 (cal/mol*K) = 39.66
G298 (kcal/mol) = 92.08

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(479); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(479)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.002e+01 -3.082e-01 -1.944e-01 -9.010e-02 / CHEB/ 3.298e+01 1.167e-01 7.293e-02 3.310e-02 / CHEB/ -2.753e-02 9.299e-02 5.594e-02 2.341e-02 / CHEB/ -7.358e-02 6.545e-02 3.932e-02 1.641e-02 / CHEB/ -7.018e-02 4.513e-03 4.541e-03 3.677e-03 / CHEB/ -4.661e-02 -1.462e-02 -7.517e-03 -1.900e-03 /

2373.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.8	-8.4	-2.6	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-27.3	-8.7	-2.8	-0.0

Chebyshev(coeffs=[[-19.6808,-0.620579,-0.298563,-0.0749498],[25.9705,0.299547,0.114981,0.00287635],[-0.128338,0.172126,0.0809278,0.018141],[-0.06211,0.0928017,0.0477086,0.0154571],[-0.0636237,0.00403309,0.0116117,0.0104708],[-0.0497311,-0.021751,-0.00499126,0.00298107]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.18
S298 (cal/mol*K) = 51.01
G298 (kcal/mol) = 65.99

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(400); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(400)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.968e+01 -6.206e-01 -2.986e-01 -7.495e-02 / CHEB/ 2.597e+01 2.995e-01 1.150e-01 2.876e-03 / CHEB/ -1.283e-01 1.721e-01 8.093e-02 1.814e-02 / CHEB/ -6.211e-02 9.280e-02 4.771e-02 1.546e-02 / CHEB/ -6.362e-02 4.033e-03 1.161e-02 1.047e-02 / CHEB/ -4.973e-02 -2.175e-02 -4.991e-03 2.981e-03 /

2374.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.0	-13.2	-5.7	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-37.2	-13.4	-5.7	-2.2

Chebyshev(coeffs=[[-29.3593,-0.279811,-0.178143,-0.0841759],[33.5947,0.105108,0.066497,0.0309717],[-0.169436,0.0854787,0.0520496,0.022379],[-0.11719,0.0604398,0.0368061,0.0158277],[-0.0836098,0.0037434,0.00384564,0.00317358],[-0.0502872,-0.0137821,-0.00731213,-0.00209514]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.32
S298 (cal/mol*K) = 51.54
G298 (kcal/mol) = 82.96

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(480); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>CH2(T)(82)+C6H9(480)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.936e+01 -2.798e-01 -1.781e-01 -8.418e-02 / CHEB/ 3.359e+01 1.051e-01 6.650e-02 3.097e-02 / CHEB/ -1.694e-01 8.548e-02 5.205e-02 2.238e-02 / CHEB/ -1.172e-01 6.044e-02 3.681e-02 1.583e-02 / CHEB/ -8.361e-02 3.743e-03 3.846e-03 3.174e-03 / CHEB/ -5.029e-02 -1.378e-02 -7.312e-03 -2.095e-03 /

2375.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.1	-15.9	-8.3	-4.8
log₁₀(k(10 bar)/[mole,m,s])	-39.3	-16.0	-8.4	-4.8

Chebyshev(coeffs=[[-31.3543,-0.312325,-0.196602,-0.0908216],[32.7228,0.121971,0.0759316,0.0342089],[-0.00394757,0.0940186,0.0565219,0.0236179],[-0.0617861,0.0653248,0.0392167,0.0163355],[-0.0617337,0.00389057,0.0042317,0.00360764],[-0.0445131,-0.0150006,-0.00771244,-0.00195176]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 102.89
S298 (cal/mol*K) = 36.74
G298 (kcal/mol) = 91.95

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(481); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(481)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.135e+01 -3.123e-01 -1.966e-01 -9.082e-02 / CHEB/ 3.272e+01 1.220e-01 7.593e-02 3.421e-02 / CHEB/ -3.948e-03 9.402e-02 5.652e-02 2.362e-02 / CHEB/ -6.179e-02 6.532e-02 3.922e-02 1.634e-02 / CHEB/ -6.173e-02 3.891e-03 4.232e-03 3.608e-03 / CHEB/ -4.451e-02 -1.500e-02 -7.712e-03 -1.952e-03 /

2406.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.2	+3.3	+4.1	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+2.5	+3.7	+4.2

Chebyshev(coeffs=[[6.15782,-2.63228,-0.363832,-0.0186565],[3.98239,2.09681,-0.0902553,-0.0723988],[0.17575,0.160859,0.190614,0.00153198],[-0.0631818,-0.0106688,0.0726759,0.0187674],[-0.0294494,0.0376809,0.00847145,0.00556377],[-0.0161455,0.0397503,0.00137181,-0.000909873]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.34
S298 (cal/mol*K) = 23.50
G298 (kcal/mol) = -13.34

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(482); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(482)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.158e+00 -2.632e+00 -3.638e-01 -1.866e-02 / CHEB/ 3.982e+00 2.097e+00 -9.026e-02 -7.240e-02 / CHEB/ 1.757e-01 1.609e-01 1.906e-01 1.532e-03 / CHEB/ -6.318e-02 -1.067e-02 7.268e-02 1.877e-02 / CHEB/ -2.945e-02 3.768e-02 8.471e-03 5.564e-03 / CHEB/ -1.615e-02 3.975e-02 1.372e-03 -9.099e-04 /

2407.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-0.8	+2.4	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-8.8	-1.2	+2.2	+4.1

Chebyshev(coeffs=[[-1.25461,-1.10756,-0.48639,-0.10871],[10.119,0.81407,0.28983,0.0207069],[0.917681,0.046272,0.0521049,0.0295076],[0.227811,0.0900837,0.0402442,0.00813976],[0.0727548,0.0654214,0.0314076,0.00675524],[0.0221497,0.0067064,0.00809881,0.00486115]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.12
S298 (cal/mol*K) = 11.35
G298 (kcal/mol) = 13.74

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(483); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(483)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.255e+00 -1.108e+00 -4.864e-01 -1.087e-01 / CHEB/ 1.012e+01 8.141e-01 2.898e-01 2.071e-02 / CHEB/ 9.177e-01 4.627e-02 5.210e-02 2.951e-02 / CHEB/ 2.278e-01 9.008e-02 4.024e-02 8.140e-03 / CHEB/ 7.275e-02 6.542e-02 3.141e-02 6.755e-03 / CHEB/ 2.215e-02 6.706e-03 8.099e-03 4.861e-03 /

2408.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+5.0	+5.6	+5.8
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+4.1	+5.1	+5.6

Chebyshev(coeffs=[[8.2193,-2.80148,-0.33956,-0.0202132],[3.37397,2.14044,-0.155717,-0.0736528],[0.0727233,0.2074,0.176684,-0.00389535],[-0.0565638,0.00234285,0.0847861,0.0144001],[-0.00803546,0.0323789,0.0174086,0.00607215],[-0.00708109,0.0398628,0.00297539,0.000307445]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.10
S298 (cal/mol*K) = 33.51
G298 (kcal/mol) = -25.09

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(484); H(25), CH3(425); C7H10(1)+H(25)(+M)=>C6H8(484)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.219e+00 -2.801e+00 -3.396e-01 -2.021e-02 / CHEB/ 3.374e+00 2.140e+00 -1.557e-01 -7.365e-02 / CHEB/ 7.272e-02 2.074e-01 1.767e-01 -3.895e-03 / CHEB/ -5.656e-02 2.343e-03 8.479e-02 1.440e-02 / CHEB/ -8.035e-03 3.238e-02 1.741e-02 6.072e-03 / CHEB/ -7.081e-03 3.986e-02 2.975e-03 3.074e-04 /

2409.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.8	+3.5	+4.0	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+2.5	+3.5	+3.9

Chebyshev(coeffs=[[6.60377,-2.77647,-0.336585,-0.0188136],[3.4311,2.13443,-0.141838,-0.0678547],[0.0345464,0.205432,0.178031,-0.00245574],[-0.087119,0.000546385,0.0815778,0.0144007],[-0.0227287,0.0308881,0.0142454,0.00544071],[-0.0147278,0.0366369,0.000888376,-0.000283269]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -38.80
S298 (cal/mol*K) = 3.81
G298 (kcal/mol) = -39.93

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(485); H(25), C7H11(485); C7H10(1)+H(25)(+M)=>C7H11(485)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.604e+00 -2.776e+00 -3.366e-01 -1.881e-02 / CHEB/ 3.431e+00 2.134e+00 -1.418e-01 -6.785e-02 / CHEB/ 3.455e-02 2.054e-01 1.780e-01 -2.456e-03 / CHEB/ -8.712e-02 5.464e-04 8.158e-02 1.440e-02 / CHEB/ -2.273e-02 3.089e-02 1.425e-02 5.441e-03 / CHEB/ -1.473e-02 3.664e-02 8.884e-04 -2.833e-04 /

2410.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-1.2	+0.8	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-8.2	-1.8	+0.5	+1.7

Chebyshev(coeffs=[[-0.340514,-2.4959,-0.567432,0.029966],[7.49421,2.35068,0.311665,-0.135799],[0.451308,-0.0237819,0.0919644,0.0165558],[0.0456932,-0.0903287,0.0305017,0.0385924],[0.0203806,0.0525918,0.0144862,0.00213053],[-0.00483532,0.0408465,0.00663664,-0.0047514]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.30
S298 (cal/mol*K) = 0.38
G298 (kcal/mol) = -26.41

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(486); H(25), C7H11(486); C7H10(1)+H(25)(+M)=>C7H11(486)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.405e-01 -2.496e+00 -5.674e-01 2.997e-02 / CHEB/ 7.494e+00 2.351e+00 3.117e-01 -1.358e-01 / CHEB/ 4.513e-01 -2.378e-02 9.196e-02 1.656e-02 / CHEB/ 4.569e-02 -9.033e-02 3.050e-02 3.859e-02 / CHEB/ 2.038e-02 5.259e-02 1.449e-02 2.131e-03 / CHEB/ -4.835e-03 4.085e-02 6.637e-03 -4.751e-03 /

2411.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+2.6	+3.3	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+1.7	+2.8	+3.2

Chebyshev(coeffs=[[5.64026,-2.74669,-0.342488,-0.0198352],[3.65001,2.12503,-0.133265,-0.0680004],[0.0759789,0.194671,0.180218,-0.00240509],[-0.0916482,-0.00445526,0.0797671,0.0153233],[-0.0371527,0.0311937,0.0128459,0.00568318],[-0.0195532,0.037473,0.000766518,-0.000374458]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.85
S298 (cal/mol*K) = 3.01
G298 (kcal/mol) = -37.74

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(487); H(25), C7H11(487); C7H10(1)+H(25)(+M)=>C7H11(487)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.640e+00 -2.747e+00 -3.425e-01 -1.984e-02 / CHEB/ 3.650e+00 2.125e+00 -1.333e-01 -6.800e-02 / CHEB/ 7.598e-02 1.947e-01 1.802e-01 -2.405e-03 / CHEB/ -9.165e-02 -4.455e-03 7.977e-02 1.532e-02 / CHEB/ -3.715e-02 3.119e-02 1.285e-02 5.683e-03 / CHEB/ -1.955e-02 3.747e-02 7.665e-04 -3.745e-04 /

2412.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-1.2	+0.4	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-1.9	+0.0	+1.0

Chebyshev(coeffs=[[0.156114,-1.966,-0.532717,-0.0212419],[6.5038,1.53431,0.196577,-0.0904791],[0.313289,0.106566,0.138846,0.0310025],[-0.00893363,0.00999152,0.0331976,0.0208612],[-0.0110154,0.056554,0.00844905,-0.00113416],[-0.00403063,0.0353716,0.0106656,-0.00204285]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.30
S298 (cal/mol*K) = 0.38
G298 (kcal/mol) = -26.41

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(488); H(25), C7H11(488); C7H10(1)+H(25)(+M)=>C7H11(488)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.561e-01 -1.966e+00 -5.327e-01 -2.124e-02 / CHEB/ 6.504e+00 1.534e+00 1.966e-01 -9.048e-02 / CHEB/ 3.133e-01 1.066e-01 1.388e-01 3.100e-02 / CHEB/ -8.934e-03 9.992e-03 3.320e-02 2.086e-02 / CHEB/ -1.102e-02 5.655e-02 8.449e-03 -1.134e-03 / CHEB/ -4.031e-03 3.537e-02 1.067e-02 -2.043e-03 /

2413.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+3.5	+3.3	+2.9
log₁₀(k(10 bar)/[mole,m,s])	+0.3	+2.8	+3.2	+3.2

Chebyshev(coeffs=[[7.36211,-2.48117,-0.413588,-0.00036568],[1.80116,2.78948,-0.293221,-0.0791451],[-0.457574,0.468652,0.140581,-0.00757299],[-0.194682,0.0457642,0.0891769,0.0103685],[-0.0401573,0.0114761,0.0244625,0.00246677],[-0.0280314,0.0325493,0.00549356,-0.00398298]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.30
S298 (cal/mol*K) = -5.24
G298 (kcal/mol) = -48.73

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(489); H(25), C7H11(489); C7H10(1)+H(25)(+M)=>C7H11(489)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.362e+00 -2.481e+00 -4.136e-01 -3.657e-04 / CHEB/ 1.801e+00 2.789e+00 -2.932e-01 -7.915e-02 / CHEB/ -4.576e-01 4.687e-01 1.406e-01 -7.573e-03 / CHEB/ -1.947e-01 4.576e-02 8.918e-02 1.037e-02 / CHEB/ -4.016e-02 1.148e-02 2.446e-02 2.467e-03 / CHEB/ -2.803e-02 3.255e-02 5.494e-03 -3.983e-03 /

2414.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-0.9	+1.1	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-7.9	-1.4	+0.8	+1.9

Chebyshev(coeffs=[[-1.07767,-1.34632,-0.559745,-0.0956498],[8.94988,0.9153,0.298216,-0.00592219],[0.0462872,0.113458,0.0796573,0.0303974],[-0.0151335,0.0545047,0.0270031,0.00909801],[-0.000967386,0.061255,0.021662,-0.000185752],[0.00307211,0.029006,0.0148619,0.00244836]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.66
S298 (cal/mol*K) = 29.20
G298 (kcal/mol) = 15.96

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(490); H(25), CH3(425); C7H10(1)+H(25)(+M)=>CH3(425)+C6H8(490)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.078e+00 -1.346e+00 -5.597e-01 -9.565e-02 / CHEB/ 8.950e+00 9.153e-01 2.982e-01 -5.922e-03 / CHEB/ 4.629e-02 1.135e-01 7.966e-02 3.040e-02 / CHEB/ -1.513e-02 5.450e-02 2.700e-02 9.098e-03 / CHEB/ -9.674e-04 6.125e-02 2.166e-02 -1.858e-04 / CHEB/ 3.072e-03 2.901e-02 1.486e-02 2.448e-03 /

2415.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-4.9	-2.2	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-5.3	-2.4	-0.9

Chebyshev(coeffs=[[-6.73594,-0.993893,-0.478571,-0.124347],[11.6856,0.639695,0.277359,0.0478979],[0.107036,0.0929682,0.0561893,0.0240776],[0.0163363,0.0642106,0.0249672,0.00227132],[0.0105099,0.0556803,0.0219565,6.94349e-05],[0.00658373,0.0185998,0.0113852,0.00327891]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.35
S298 (cal/mol*K) = 18.49
G298 (kcal/mol) = 27.85

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(491); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(491)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.736e+00 -9.939e-01 -4.786e-01 -1.243e-01 / CHEB/ 1.169e+01 6.397e-01 2.774e-01 4.790e-02 / CHEB/ 1.070e-01 9.297e-02 5.619e-02 2.408e-02 / CHEB/ 1.634e-02 6.421e-02 2.497e-02 2.271e-03 / CHEB/ 1.051e-02 5.568e-02 2.196e-02 6.943e-05 / CHEB/ 6.584e-03 1.860e-02 1.139e-02 3.279e-03 /

2416.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.5	-6.2	-2.3	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-17.9	-6.5	-2.5	-0.3

Chebyshev(coeffs=[[-10.8102,-0.57216,-0.316725,-0.121062],[16.1442,0.257951,0.136641,0.0526452],[0.144147,0.080211,0.0397284,0.0104138],[0.0793338,0.0800229,0.0380969,0.00735466],[0.0455706,0.0504813,0.0269206,0.00739345],[0.0236743,0.0104569,0.00851663,0.0047435]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.15
S298 (cal/mol*K) = 26.62
G298 (kcal/mol) = 40.22

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(492); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(492)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.081e+01 -5.722e-01 -3.167e-01 -1.211e-01 / CHEB/ 1.614e+01 2.580e-01 1.366e-01 5.265e-02 / CHEB/ 1.441e-01 8.021e-02 3.973e-02 1.041e-02 / CHEB/ 7.933e-02 8.002e-02 3.810e-02 7.355e-03 / CHEB/ 4.557e-02 5.048e-02 2.692e-02 7.393e-03 / CHEB/ 2.367e-02 1.046e-02 8.517e-03 4.744e-03 /

2417.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-5.2	-2.3	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-14.5	-5.6	-2.5	-0.9

Chebyshev(coeffs=[[-7.57732,-0.914768,-0.451251,-0.127041],[12.5018,0.57622,0.259806,0.0549171],[0.113792,0.0857432,0.050626,0.0215102],[0.0119433,0.0687851,0.0268015,0.00164566],[0.00159323,0.0549463,0.023012,0.00107938],[0.0054397,0.0164209,0.010672,0.00364164]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.70
S298 (cal/mol*K) = 18.37
G298 (kcal/mol) = 29.23

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(493); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(493)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.577e+00 -9.148e-01 -4.513e-01 -1.270e-01 / CHEB/ 1.250e+01 5.762e-01 2.598e-01 5.492e-02 / CHEB/ 1.138e-01 8.574e-02 5.063e-02 2.151e-02 / CHEB/ 1.194e-02 6.879e-02 2.680e-02 1.646e-03 / CHEB/ 1.593e-03 5.495e-02 2.301e-02 1.079e-03 / CHEB/ 5.440e-03 1.642e-02 1.067e-02 3.642e-03 /

2418.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.3	-8.8	-4.2	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-22.5	-9.0	-4.4	-2.0

Chebyshev(coeffs=[[-15.3855,-0.36038,-0.206261,-0.0846118],[19.2715,0.125439,0.0717234,0.0337792],[0.0416536,0.0637544,0.0295508,0.00555065],[0.040507,0.0673609,0.0334028,0.00764872],[0.0349322,0.0352431,0.0206128,0.00722381],[0.0205941,0.00222708,0.00368499,0.00308822]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.70
S298 (cal/mol*K) = 23.99
G298 (kcal/mol) = 51.56

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(494); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(494)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.539e+01 -3.604e-01 -2.063e-01 -8.461e-02 / CHEB/ 1.927e+01 1.254e-01 7.172e-02 3.378e-02 / CHEB/ 4.165e-02 6.375e-02 2.955e-02 5.551e-03 / CHEB/ 4.051e-02 6.736e-02 3.340e-02 7.649e-03 / CHEB/ 3.493e-02 3.524e-02 2.061e-02 7.224e-03 / CHEB/ 2.059e-02 2.227e-03 3.685e-03 3.088e-03 /

2419.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.3	-7.5	-2.8	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-21.5	-7.7	-2.9	-0.4

Chebyshev(coeffs=[[-14.1826,-0.386501,-0.224247,-0.0940193],[19.4475,0.133423,0.0748595,0.0334339],[0.196269,0.0533598,0.0242218,0.00398182],[0.0839749,0.0806876,0.0427336,0.0126326],[0.0337089,0.0424449,0.0260848,0.0106293],[0.0112553,0.00237541,0.00400765,0.00351464]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.70
S298 (cal/mol*K) = 23.99
G298 (kcal/mol) = 51.56

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(495); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(495)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.418e+01 -3.865e-01 -2.242e-01 -9.402e-02 / CHEB/ 1.945e+01 1.334e-01 7.486e-02 3.343e-02 / CHEB/ 1.963e-01 5.336e-02 2.422e-02 3.982e-03 / CHEB/ 8.397e-02 8.069e-02 4.273e-02 1.263e-02 / CHEB/ 3.371e-02 4.244e-02 2.608e-02 1.063e-02 / CHEB/ 1.126e-02 2.375e-03 4.008e-03 3.515e-03 /

2420.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	-1.0	+0.1	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-1.8	-0.3	+0.5

Chebyshev(coeffs=[[0.869434,-2.17341,-0.492886,-0.0118063],[5.4763,1.71209,0.117837,-0.0958079],[0.209781,0.116932,0.16008,0.0226256],[-0.0645873,0.00252511,0.0434236,0.0224971],[-0.0344581,0.054832,0.00572282,0.000942273],[-0.0141556,0.0370796,0.00795661,-0.00249822]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.23
S298 (cal/mol*K) = 0.61
G298 (kcal/mol) = -12.42

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(496); H(25), C7H11(496); C7H10(1)+H(25)(+M)=>C7H11(496)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.694e-01 -2.173e+00 -4.929e-01 -1.181e-02 / CHEB/ 5.476e+00 1.712e+00 1.178e-01 -9.581e-02 / CHEB/ 2.098e-01 1.169e-01 1.601e-01 2.263e-02 / CHEB/ -6.459e-02 2.525e-03 4.342e-02 2.250e-02 / CHEB/ -3.446e-02 5.483e-02 5.723e-03 9.423e-04 / CHEB/ -1.416e-02 3.708e-02 7.957e-03 -2.498e-03 /

2421.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+2.2	+3.5	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-3.3	+1.4	+3.1	+3.9

Chebyshev(coeffs=[[4.17994,-2.26255,-0.485485,-0.0142417],[5.43514,1.76039,0.0759504,-0.0989985],[0.289396,0.121257,0.166553,0.0170043],[-0.0287634,0.00608955,0.0509751,0.022913],[-0.016484,0.0597556,0.0090828,0.00301532],[-0.00579366,0.042329,0.00963838,-0.00137965]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.80
S298 (cal/mol*K) = 7.62
G298 (kcal/mol) = -34.07

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(497); H(25), C7H11(497); C7H10(1)+H(25)(+M)=>C7H11(497)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.180e+00 -2.263e+00 -4.855e-01 -1.424e-02 / CHEB/ 5.435e+00 1.760e+00 7.595e-02 -9.900e-02 / CHEB/ 2.894e-01 1.213e-01 1.666e-01 1.700e-02 / CHEB/ -2.876e-02 6.090e-03 5.098e-02 2.291e-02 / CHEB/ -1.648e-02 5.976e-02 9.083e-03 3.015e-03 / CHEB/ -5.794e-03 4.233e-02 9.638e-03 -1.380e-03 /

2422.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.3	-9.7	-5.2	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-23.5	-9.9	-5.3	-2.9

Chebyshev(coeffs=[[-16.3267,-0.358585,-0.205278,-0.0842236],[19.3001,0.124295,0.0710585,0.0334631],[0.0390973,0.0636028,0.029472,0.00551876],[0.0396388,0.0672076,0.0333664,0.00768196],[0.0346704,0.0351016,0.0205646,0.00723955],[0.0205225,0.00218234,0.00365751,0.00307948]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.95
S298 (cal/mol*K) = 23.99
G298 (kcal/mol) = 51.81

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(498); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(498)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.633e+01 -3.586e-01 -2.053e-01 -8.422e-02 / CHEB/ 1.930e+01 1.243e-01 7.106e-02 3.346e-02 / CHEB/ 3.910e-02 6.360e-02 2.947e-02 5.519e-03 / CHEB/ 3.964e-02 6.721e-02 3.337e-02 7.682e-03 / CHEB/ 3.467e-02 3.510e-02 2.056e-02 7.240e-03 / CHEB/ 2.052e-02 2.182e-03 3.658e-03 3.079e-03 /

2423.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.2	+3.3	+4.1	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-1.6	+2.4	+3.7	+4.2

Chebyshev(coeffs=[[6.09175,-2.67467,-0.352019,-0.0200063],[4.05769,2.10748,-0.105455,-0.0664849],[0.168761,0.185146,0.185748,-0.00186741],[-0.0688202,-0.00725785,0.0768888,0.016739],[-0.0287285,0.0341057,0.0108866,0.0061326],[-0.0145338,0.0382417,0.00103113,-0.00025816]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.81
S298 (cal/mol*K) = 22.68
G298 (kcal/mol) = -11.57

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(499); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(499)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.092e+00 -2.675e+00 -3.520e-01 -2.001e-02 / CHEB/ 4.058e+00 2.107e+00 -1.055e-01 -6.648e-02 / CHEB/ 1.688e-01 1.851e-01 1.857e-01 -1.867e-03 / CHEB/ -6.882e-02 -7.258e-03 7.689e-02 1.674e-02 / CHEB/ -2.873e-02 3.411e-02 1.089e-02 6.133e-03 / CHEB/ -1.453e-02 3.824e-02 1.031e-03 -2.582e-04 /

2424.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+3.5	+3.6	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-0.7	+3.0	+3.7	+3.9

Chebyshev(coeffs=[[6.47107,-2.0622,-0.415854,0.0156277],[3.10065,2.81325,-0.223915,-0.0859631],[-0.2966,0.480853,0.179857,-0.0371589],[-0.256931,0.0901571,0.0964598,0.00430634],[-0.0753867,0.0398462,0.0400514,0.00392088],[-0.0212845,0.0239416,0.0155779,0.00444181]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.47
S298 (cal/mol*K) = 14.44
G298 (kcal/mol) = -23.77

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(500); H(25), C7H11(500); C7H10(1)+H(25)(+M)=>C7H11(500)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.471e+00 -2.062e+00 -4.159e-01 1.563e-02 / CHEB/ 3.101e+00 2.813e+00 -2.239e-01 -8.596e-02 / CHEB/ -2.966e-01 4.809e-01 1.799e-01 -3.716e-02 / CHEB/ -2.569e-01 9.016e-02 9.646e-02 4.306e-03 / CHEB/ -7.539e-02 3.985e-02 4.005e-02 3.921e-03 / CHEB/ -2.128e-02 2.394e-02 1.558e-02 4.442e-03 /

2425.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.7	+1.2	+2.4	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-4.2	+0.5	+2.0	+2.8

Chebyshev(coeffs=[[3.17731,-2.19406,-0.483975,-0.0120957],[5.47093,1.74468,0.107083,-0.0944924],[0.230364,0.113715,0.16472,0.0216515],[-0.0379466,8.83023e-05,0.0441042,0.0228368],[-0.00642026,0.0534485,0.00508539,0.00130637],[-0.00544056,0.0369393,0.00762437,-0.00248006]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.14
S298 (cal/mol*K) = 4.22
G298 (kcal/mol) = -32.39

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(501); H(25), C7H11(501); C7H10(1)+H(25)(+M)=>C7H11(501)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.177e+00 -2.194e+00 -4.840e-01 -1.210e-02 / CHEB/ 5.471e+00 1.745e+00 1.071e-01 -9.449e-02 / CHEB/ 2.304e-01 1.137e-01 1.647e-01 2.165e-02 / CHEB/ -3.795e-02 8.830e-05 4.410e-02 2.284e-02 / CHEB/ -6.420e-03 5.345e-02 5.085e-03 1.306e-03 / CHEB/ -5.441e-03 3.694e-02 7.624e-03 -2.480e-03 /

2445.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.7	-2.8	+0.5	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-15.4	-3.0	+0.5	+1.8

Chebyshev(coeffs=[[-8.2501,-0.847183,-0.299233,-0.0260758],[16.7965,0.685832,0.186215,-0.0204691],[-0.314828,0.170616,0.0808606,0.013228],[-0.258117,-0.0221518,0.0113791,0.0125353],[-0.14615,-0.0411653,-0.0119057,0.00389232],[-0.0569357,-0.0230069,-0.0110204,-0.00125007]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 55.70
S298 (cal/mol*K) = 36.29
G298 (kcal/mol) = 44.89

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(502); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C2H3(100)+C5H7(502)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.250e+00 -8.472e-01 -2.992e-01 -2.608e-02 / CHEB/ 1.680e+01 6.858e-01 1.862e-01 -2.047e-02 / CHEB/ -3.148e-01 1.706e-01 8.086e-02 1.323e-02 / CHEB/ -2.581e-01 -2.215e-02 1.138e-02 1.254e-02 / CHEB/ -1.462e-01 -4.117e-02 -1.191e-02 3.892e-03 / CHEB/ -5.694e-02 -2.301e-02 -1.102e-02 -1.250e-03 /

2446.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.7	-1.2	+1.2	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-1.7	+1.0	+1.8

Chebyshev(coeffs=[[-2.98017,-1.5424,-0.258264,-0.0222813],[11.0877,1.10426,0.0580708,-0.0050967],[0.162102,0.334061,0.0640084,-0.0194202],[-0.201384,0.0206279,0.0420317,-0.00332287],[-0.164789,-0.0446274,0.0147586,0.0094162],[-0.0744714,-0.0354298,-0.00215201,0.00721216]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.89
S298 (cal/mol*K) = 13.37
G298 (kcal/mol) = 27.91

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(503); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(503)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.980e+00 -1.542e+00 -2.583e-01 -2.228e-02 / CHEB/ 1.109e+01 1.104e+00 5.807e-02 -5.097e-03 / CHEB/ 1.621e-01 3.341e-01 6.401e-02 -1.942e-02 / CHEB/ -2.014e-01 2.063e-02 4.203e-02 -3.323e-03 / CHEB/ -1.648e-01 -4.463e-02 1.476e-02 9.416e-03 / CHEB/ -7.447e-02 -3.543e-02 -2.152e-03 7.212e-03 /

2447.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.3	-5.2	-1.6	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-18.0	-5.4	-1.7	-0.2

Chebyshev(coeffs=[[-10.6464,-0.906455,-0.301329,-0.0203033],[16.9199,0.726134,0.178374,-0.0269102],[-0.126501,0.185121,0.0834935,0.010705],[-0.208108,-0.0196838,0.0150926,0.0129215],[-0.132915,-0.0427021,-0.0105293,0.00511536],[-0.0531909,-0.0248075,-0.0111593,-0.000572783]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.49
S298 (cal/mol*K) = 20.19
G298 (kcal/mol) = 48.47

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(214); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(214)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.065e+01 -9.065e-01 -3.013e-01 -2.030e-02 / CHEB/ 1.692e+01 7.261e-01 1.784e-01 -2.691e-02 / CHEB/ -1.265e-01 1.851e-01 8.349e-02 1.070e-02 / CHEB/ -2.081e-01 -1.968e-02 1.509e-02 1.292e-02 / CHEB/ -1.329e-01 -4.270e-02 -1.053e-02 5.115e-03 / CHEB/ -5.319e-02 -2.481e-02 -1.116e-02 -5.728e-04 /

2448.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.0	-6.3	-2.5	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-19.8	-6.5	-2.6	-1.0

Chebyshev(coeffs=[[-12.3703,-0.833578,-0.298473,-0.0274585],[17.855,0.676515,0.187775,-0.0188624],[-0.118702,0.167235,0.0801478,0.0137729],[-0.199234,-0.0226789,0.0105275,0.0124012],[-0.125847,-0.0407797,-0.0121847,0.00360151],[-0.0495892,-0.022576,-0.0109644,-0.00139706]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.49
S298 (cal/mol*K) = 18.87
G298 (kcal/mol) = 51.87

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(504); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(504)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.237e+01 -8.336e-01 -2.985e-01 -2.746e-02 / CHEB/ 1.785e+01 6.765e-01 1.878e-01 -1.886e-02 / CHEB/ -1.187e-01 1.672e-01 8.015e-02 1.377e-02 / CHEB/ -1.992e-01 -2.268e-02 1.053e-02 1.240e-02 / CHEB/ -1.258e-01 -4.078e-02 -1.218e-02 3.602e-03 / CHEB/ -4.959e-02 -2.258e-02 -1.096e-02 -1.397e-03 /

2449.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.0	-5.8	-1.8	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-19.6	-6.0	-1.9	-0.2

Chebyshev(coeffs=[[-12.2337,-0.782943,-0.294731,-0.0327345],[18.5246,0.641263,0.192701,-0.0125033],[-0.113565,0.154844,0.0771495,0.0156262],[-0.193129,-0.0245183,0.00741077,0.011762],[-0.120978,-0.0392348,-0.0130876,0.0025028],[-0.0471012,-0.0209517,-0.0106804,-0.00190191]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.69
S298 (cal/mol*K) = 18.45
G298 (kcal/mol) = 54.19

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(505); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(505)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.223e+01 -7.829e-01 -2.947e-01 -3.273e-02 / CHEB/ 1.852e+01 6.413e-01 1.927e-01 -1.250e-02 / CHEB/ -1.136e-01 1.548e-01 7.715e-02 1.563e-02 / CHEB/ -1.931e-01 -2.452e-02 7.411e-03 1.176e-02 / CHEB/ -1.210e-01 -3.923e-02 -1.309e-02 2.503e-03 / CHEB/ -4.710e-02 -2.095e-02 -1.068e-02 -1.902e-03 /

2450.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	+1.1	+2.7	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-6.6	+0.4	+2.4	+2.9

Chebyshev(coeffs=[[1.4234,-1.904,-0.265531,-0.042133],[7.69477,1.2685,0.0601285,0.0169052],[0.326122,0.392754,0.022368,-0.0077969],[-0.241599,0.0532843,0.028703,-0.0165835],[-0.196379,-0.0281583,0.0274028,-0.000853044],[-0.0878352,-0.0317486,0.0101244,0.00774815]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.48
S298 (cal/mol*K) = -0.02
G298 (kcal/mol) = 11.49

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(506); H(25), C7H10(506); C7H9(5)+H(25)(+M)=>C7H10(506)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.423e+00 -1.904e+00 -2.655e-01 -4.213e-02 / CHEB/ 7.695e+00 1.269e+00 6.013e-02 1.691e-02 / CHEB/ 3.261e-01 3.928e-01 2.237e-02 -7.797e-03 / CHEB/ -2.416e-01 5.328e-02 2.870e-02 -1.658e-02 / CHEB/ -1.964e-01 -2.816e-02 2.740e-02 -8.530e-04 / CHEB/ -8.784e-02 -3.175e-02 1.012e-02 7.748e-03 /

2451.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	+0.4	+2.1	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-0.3	+1.8	+2.3

Chebyshev(coeffs=[[1.03987,-1.961,-0.269611,-0.03965],[7.35344,1.31745,0.0684092,0.0115106],[0.43504,0.395839,0.0189534,-0.00241539],[-0.234589,0.0563854,0.0254332,-0.0172876],[-0.19204,-0.0260086,0.0284366,-0.00262435],[-0.0886688,-0.0315544,0.0118192,0.00749802]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.62
S298 (cal/mol*K) = -8.95
G298 (kcal/mol) = 1.05

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(507); H(25), C7H10(507); C7H9(5)+H(25)(+M)=>C7H10(507)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.040e+00 -1.961e+00 -2.696e-01 -3.965e-02 / CHEB/ 7.353e+00 1.317e+00 6.841e-02 1.151e-02 / CHEB/ 4.350e-01 3.958e-01 1.895e-02 -2.415e-03 / CHEB/ -2.346e-01 5.639e-02 2.543e-02 -1.729e-02 / CHEB/ -1.920e-01 -2.601e-02 2.844e-02 -2.624e-03 / CHEB/ -8.867e-02 -3.155e-02 1.182e-02 7.498e-03 /

2452.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+1.1	+2.2	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-4.7	+0.3	+1.7	+1.8

Chebyshev(coeffs=[[3.49144,-2.32133,-0.275459,-0.0141167],[4.5614,1.44038,0.0492361,-0.0293768],[0.48703,0.39028,0.0228836,0.0186565],[-0.287156,0.0804518,-0.00562594,-0.00886468],[-0.225174,0.00562604,0.0179498,-0.0127206],[-0.101944,-0.0151105,0.0212647,0.000839624]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.27
S298 (cal/mol*K) = -7.93
G298 (kcal/mol) = -1.90

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(508); H(25), C7H10(508); C7H9(5)+H(25)(+M)=>C7H10(508)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.491e+00 -2.321e+00 -2.755e-01 -1.412e-02 / CHEB/ 4.561e+00 1.440e+00 4.924e-02 -2.938e-02 / CHEB/ 4.870e-01 3.903e-01 2.288e-02 1.866e-02 / CHEB/ -2.872e-01 8.045e-02 -5.626e-03 -8.865e-03 / CHEB/ -2.252e-01 5.626e-03 1.795e-02 -1.272e-02 / CHEB/ -1.019e-01 -1.511e-02 2.126e-02 8.396e-04 /

2453.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-0.9	+1.7	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-1.5	+1.5	+2.9

Chebyshev(coeffs=[[-0.751297,-1.76947,-0.245167,-0.0412986],[8.9127,1.28471,0.0577555,0.00824194],[0.680241,0.392793,0.026769,-0.0205355],[0.0529452,0.0280058,0.0293518,-0.0157524],[-0.0122829,-0.0578863,0.0226466,0.00483598],[0.0110768,-0.053357,0.00500392,0.0110512]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.33
S298 (cal/mol*K) = 0.27
G298 (kcal/mol) = 18.25

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(509); H(25), C7H10(509); C7H9(5)+H(25)(+M)=>C7H10(509)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.513e-01 -1.769e+00 -2.452e-01 -4.130e-02 / CHEB/ 8.913e+00 1.285e+00 5.776e-02 8.242e-03 / CHEB/ 6.802e-01 3.928e-01 2.677e-02 -2.054e-02 / CHEB/ 5.295e-02 2.801e-02 2.935e-02 -1.575e-02 / CHEB/ -1.228e-02 -5.789e-02 2.265e-02 4.836e-03 / CHEB/ 1.108e-02 -5.336e-02 5.004e-03 1.105e-02 /

2454.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-4.7	-2.3	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-5.2	-2.5	-1.6

Chebyshev(coeffs=[[-6.63217,-1.47669,-0.261506,-0.0172455],[11.2402,1.08506,0.0679925,-0.0125281],[0.245105,0.316766,0.0716987,-0.0182015],[-0.159474,0.0116955,0.0419888,0.000213507],[-0.253021,-0.0457249,0.0112175,0.0107339],[-0.0445012,-0.035992,-0.00422249,0.00641435]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.98
S298 (cal/mol*K) = -3.45
G298 (kcal/mol) = 25.01

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(510); H(25), C7H10(510); C7H9(5)+H(25)(+M)=>C7H10(510)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.632e+00 -1.477e+00 -2.615e-01 -1.725e-02 / CHEB/ 1.124e+01 1.085e+00 6.799e-02 -1.253e-02 / CHEB/ 2.451e-01 3.168e-01 7.170e-02 -1.820e-02 / CHEB/ -1.595e-01 1.170e-02 4.199e-02 2.135e-04 / CHEB/ -2.530e-01 -4.572e-02 1.122e-02 1.073e-02 / CHEB/ -4.450e-02 -3.599e-02 -4.222e-03 6.414e-03 /

2455.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	-3.6	-1.3	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-4.1	-1.5	-0.7

Chebyshev(coeffs=[[-5.22041,-1.55566,-0.257463,-0.0234855],[10.8148,1.11078,0.0565567,-0.00337246],[0.134568,0.336954,0.0626405,-0.0195711],[-0.211879,0.0217397,0.042063,-0.00398126],[-0.169,-0.0443248,0.0153703,0.00921465],[-0.0761013,-0.0354442,-0.00177759,0.00733698]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.33
S298 (cal/mol*K) = -2.43
G298 (kcal/mol) = 22.06

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(511); H(25), C7H10(511); C7H9(5)+H(25)(+M)=>C7H10(511)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.220e+00 -1.556e+00 -2.575e-01 -2.349e-02 / CHEB/ 1.081e+01 1.111e+00 5.656e-02 -3.372e-03 / CHEB/ 1.346e-01 3.370e-01 6.264e-02 -1.957e-02 / CHEB/ -2.119e-01 2.174e-02 4.206e-02 -3.981e-03 / CHEB/ -1.690e-01 -4.432e-02 1.537e-02 9.215e-03 / CHEB/ -7.610e-02 -3.544e-02 -1.778e-03 7.337e-03 /

2456.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	-2.1	-0.3	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-2.3	-0.3	+0.2

Chebyshev(coeffs=[[-2.83556,-1.04695,-0.209542,0.01794],[9.52409,0.852765,0.0444464,-0.0641417],[-0.0119062,0.200134,0.100991,-0.0051268],[-0.257372,-0.0336919,0.0378524,0.0227084],[-0.16587,-0.0524716,-0.00984765,0.0132017],[-0.0610828,-0.0235772,-0.0150345,-0.000633496]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.18
S298 (cal/mol*K) = -3.87
G298 (kcal/mol) = 27.34

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(512); H(25), C7H10(512); C7H9(5)+H(25)(+M)=>C7H10(512)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.836e+00 -1.047e+00 -2.095e-01 1.794e-02 / CHEB/ 9.524e+00 8.528e-01 4.445e-02 -6.414e-02 / CHEB/ -1.191e-02 2.001e-01 1.010e-01 -5.127e-03 / CHEB/ -2.574e-01 -3.369e-02 3.785e-02 2.271e-02 / CHEB/ -1.659e-01 -5.247e-02 -9.848e-03 1.320e-02 / CHEB/ -6.108e-02 -2.358e-02 -1.503e-02 -6.335e-04 /

2457.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-3.3	-1.1	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-3.9	-1.3	-0.5

Chebyshev(coeffs=[[-4.80982,-1.59238,-0.255626,-0.0268136],[10.5783,1.12865,0.0530099,0.0012698],[0.173627,0.344707,0.0586803,-0.0197645],[-0.207504,0.0248951,0.0419603,-0.00578829],[-0.169501,-0.0433951,0.0170455,0.00856913],[-0.0766814,-0.0354228,-0.000709485,0.00765544]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.53
S298 (cal/mol*K) = -2.85
G298 (kcal/mol) = 24.38

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(513); H(25), C7H10(513); C7H9(5)+H(25)(+M)=>C7H10(513)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.810e+00 -1.592e+00 -2.556e-01 -2.681e-02 / CHEB/ 1.058e+01 1.129e+00 5.301e-02 1.270e-03 / CHEB/ 1.736e-01 3.447e-01 5.868e-02 -1.976e-02 / CHEB/ -2.075e-01 2.490e-02 4.196e-02 -5.788e-03 / CHEB/ -1.695e-01 -4.340e-02 1.705e-02 8.569e-03 / CHEB/ -7.668e-02 -3.542e-02 -7.095e-04 7.655e-03 /

2458.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	+1.4	+4.3	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-9.6	+1.0	+4.1	+5.2

Chebyshev(coeffs=[[-1.92175,-1.27947,-0.282424,-0.00481431],[13.5121,0.961185,0.105676,-0.034905],[0.05898,0.2747,0.0825788,-0.00928287],[-0.192205,0.00101003,0.0355445,0.00787925],[-0.147874,-0.0473233,0.00287172,0.0103002],[-0.0647024,-0.0332505,-0.00805302,0.0041765]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.69
S298 (cal/mol*K) = 11.59
G298 (kcal/mol) = 17.24

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(514); H(25), C7H10(514); C7H9(5)+H(25)(+M)=>C7H10(514)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.922e+00 -1.279e+00 -2.824e-01 -4.814e-03 / CHEB/ 1.351e+01 9.612e-01 1.057e-01 -3.491e-02 / CHEB/ 5.898e-02 2.747e-01 8.258e-02 -9.283e-03 / CHEB/ -1.922e-01 1.010e-03 3.554e-02 7.879e-03 / CHEB/ -1.479e-01 -4.732e-02 2.872e-03 1.030e-02 / CHEB/ -6.470e-02 -3.325e-02 -8.053e-03 4.176e-03 /

2459.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	-3.0	-0.5	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-3.5	-0.7	+0.2

Chebyshev(coeffs=[[-5.26314,-1.45154,-0.265395,-0.0143891],[11.8036,1.0575,0.0714068,-0.0170626],[0.0977404,0.314016,0.0722532,-0.0172463],[-0.204875,0.0133339,0.04093,0.00106019],[-0.161151,-0.0461974,0.0105621,0.0103544],[-0.0719899,-0.0350958,-0.00450271,0.0062509]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.96
S298 (cal/mol*K) = -7.22
G298 (kcal/mol) = 28.11

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(515); H(25), C7H10(515); C7H9(5)+H(25)(+M)=>C7H10(515)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.263e+00 -1.452e+00 -2.654e-01 -1.439e-02 / CHEB/ 1.180e+01 1.057e+00 7.141e-02 -1.706e-02 / CHEB/ 9.774e-02 3.140e-01 7.225e-02 -1.725e-02 / CHEB/ -2.049e-01 1.333e-02 4.093e-02 1.060e-03 / CHEB/ -1.612e-01 -4.620e-02 1.056e-02 1.035e-02 / CHEB/ -7.199e-02 -3.510e-02 -4.503e-03 6.251e-03 /

2485.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	+2.8	+4.7	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-5.1	+1.7	+4.1	+5.0

Chebyshev(coeffs=[[2.9643,-2.9846,-0.735685,-0.051571],[7.80987,2.0702,0.15188,-0.10233],[0.364465,0.297162,0.193146,0.00713511],[0.00687242,0.144662,0.092453,0.0175963],[-0.0779072,0.0501748,0.0342314,0.0156181],[-0.0836828,-0.0172276,0.00447281,0.00838456]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.39
S298 (cal/mol*K) = 8.64
G298 (kcal/mol) = -10.96

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(516); H(25), C7H11(516); C7H10(1)+H(25)(+M)=>C7H11(516)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.964e+00 -2.985e+00 -7.357e-01 -5.157e-02 / CHEB/ 7.810e+00 2.070e+00 1.519e-01 -1.023e-01 / CHEB/ 3.645e-01 2.972e-01 1.931e-01 7.135e-03 / CHEB/ 6.872e-03 1.447e-01 9.245e-02 1.760e-02 / CHEB/ -7.791e-02 5.017e-02 3.423e-02 1.562e-02 / CHEB/ -8.368e-02 -1.723e-02 4.473e-03 8.385e-03 /

2486.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	+1.7	+4.1	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-7.5	+0.7	+3.7	+4.9

Chebyshev(coeffs=[[0.50059,-2.43894,-0.768793,-0.0829733],[9.98867,1.70757,0.277437,-0.0750176],[0.554497,0.227004,0.179002,0.0248403],[0.0244489,0.150642,0.0799432,0.0228626],[-0.0771687,0.0505735,0.0303707,0.0139702],[-0.0779359,-0.0212305,0.00193339,0.00703808]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.85
S298 (cal/mol*K) = 36.44
G298 (kcal/mol) = 4.99

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(517); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(517)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.006e-01 -2.439e+00 -7.688e-01 -8.297e-02 / CHEB/ 9.989e+00 1.708e+00 2.774e-01 -7.502e-02 / CHEB/ 5.545e-01 2.270e-01 1.790e-01 2.484e-02 / CHEB/ 2.445e-02 1.506e-01 7.994e-02 2.286e-02 / CHEB/ -7.717e-02 5.057e-02 3.037e-02 1.397e-02 / CHEB/ -7.794e-02 -2.123e-02 1.933e-03 7.038e-03 /

2487.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	+0.5	+2.9	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-8.7	-0.5	+2.4	+3.7

Chebyshev(coeffs=[[-0.808063,-2.38878,-0.779488,-0.0871666],[10.1022,1.62551,0.28639,-0.0715922],[0.484711,0.237806,0.17161,0.02431],[0.00696033,0.155634,0.0797751,0.0217348],[-0.0826356,0.0514276,0.0311629,0.0135038],[-0.0794002,-0.0208538,0.00221472,0.00716242]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.44
S298 (cal/mol*K) = 10.05
G298 (kcal/mol) = -33.43

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(518); H(25), C7H11(518); C7H10(1)+H(25)(+M)=>C7H11(518)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.081e-01 -2.389e+00 -7.795e-01 -8.717e-02 / CHEB/ 1.010e+01 1.626e+00 2.864e-01 -7.159e-02 / CHEB/ 4.847e-01 2.378e-01 1.716e-01 2.431e-02 / CHEB/ 6.960e-03 1.556e-01 7.978e-02 2.173e-02 / CHEB/ -8.264e-02 5.143e-02 3.116e-02 1.350e-02 / CHEB/ -7.940e-02 -2.085e-02 2.215e-03 7.162e-03 /

2488.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.5	+3.9	+4.9	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+2.9	+4.3	+5.1

Chebyshev(coeffs=[[6.30183,-3.20246,-0.528328,-0.0644928],[4.55615,2.57187,-0.00365597,-0.0608333],[0.213241,0.180034,0.197242,0.0134492],[-0.018752,-0.00678916,0.0933351,0.0160736],[0.0163886,0.0544944,0.0277549,0.0107392],[-0.000202949,0.0495002,0.00487713,0.00432187]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.37
S298 (cal/mol*K) = 12.18
G298 (kcal/mol) = -32.00

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(519); H(25), C7H11(519); C7H10(1)+H(25)(+M)=>C7H11(519)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.302e+00 -3.202e+00 -5.283e-01 -6.449e-02 / CHEB/ 4.556e+00 2.572e+00 -3.656e-03 -6.083e-02 / CHEB/ 2.132e-01 1.800e-01 1.972e-01 1.345e-02 / CHEB/ -1.875e-02 -6.789e-03 9.334e-02 1.607e-02 / CHEB/ 1.639e-02 5.449e-02 2.775e-02 1.074e-02 / CHEB/ -2.029e-04 4.950e-02 4.877e-03 4.322e-03 /

2489.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-0.7	+2.4	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-1.5	+2.0	+3.5

Chebyshev(coeffs=[[-3.70902,-1.78062,-0.750013,-0.141531],[12.9319,1.08383,0.336434,-0.00647866],[0.410146,0.245069,0.140338,0.0311605],[0.00759533,0.167992,0.0779504,0.018517],[-0.0792701,0.0436392,0.0297421,0.0132521],[-0.0739832,-0.024279,-0.00166253,0.00660076]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.84
S298 (cal/mol*K) = 16.92
G298 (kcal/mol) = -9.88

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(520); H(25), C7H11(520); C7H10(1)+H(25)(+M)=>C7H11(520)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.709e+00 -1.781e+00 -7.500e-01 -1.415e-01 / CHEB/ 1.293e+01 1.084e+00 3.364e-01 -6.479e-03 / CHEB/ 4.101e-01 2.451e-01 1.403e-01 3.116e-02 / CHEB/ 7.595e-03 1.680e-01 7.795e-02 1.852e-02 / CHEB/ -7.927e-02 4.364e-02 2.974e-02 1.325e-02 / CHEB/ -7.398e-02 -2.428e-02 -1.663e-03 6.601e-03 /

2490.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	+2.8	+4.8	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-5.5	+1.7	+4.3	+5.4

Chebyshev(coeffs=[[2.53668,-2.81899,-0.744641,-0.0606342],[8.48341,1.98935,0.1907,-0.0952621],[0.461872,0.261545,0.194626,0.013017],[0.018275,0.143412,0.0882176,0.0203374],[-0.0770696,0.051022,0.0320097,0.015647],[-0.0817621,-0.0182365,0.00350132,0.00777793]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.84
S298 (cal/mol*K) = 16.92
G298 (kcal/mol) = -9.88

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(521); H(25), C7H11(521); C7H10(1)+H(25)(+M)=>C7H11(521)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.537e+00 -2.819e+00 -7.446e-01 -6.063e-02 / CHEB/ 8.483e+00 1.989e+00 1.907e-01 -9.526e-02 / CHEB/ 4.619e-01 2.615e-01 1.946e-01 1.302e-02 / CHEB/ 1.827e-02 1.434e-01 8.822e-02 2.034e-02 / CHEB/ -7.707e-02 5.102e-02 3.201e-02 1.565e-02 / CHEB/ -8.176e-02 -1.824e-02 3.501e-03 7.778e-03 /

2491.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.2	+2.4	+4.5	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-6.1	+1.3	+4.0	+5.1

Chebyshev(coeffs=[[1.93384,-2.73743,-0.749617,-0.0651319],[8.81165,1.93969,0.209988,-0.0914856],[0.497709,0.248343,0.193377,0.015801],[0.0217538,0.144187,0.0860612,0.0213737],[-0.0768004,0.05125,0.0312724,0.0154283],[-0.080805,-0.0188883,0.00314104,0.00750821]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.64
S298 (cal/mol*K) = 16.50
G298 (kcal/mol) = -7.55

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(522); H(25), C7H11(522); C7H10(1)+H(25)(+M)=>C7H11(522)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.934e+00 -2.737e+00 -7.496e-01 -6.513e-02 / CHEB/ 8.812e+00 1.940e+00 2.100e-01 -9.149e-02 / CHEB/ 4.977e-01 2.483e-01 1.934e-01 1.580e-02 / CHEB/ 2.175e-02 1.442e-01 8.606e-02 2.137e-02 / CHEB/ -7.680e-02 5.125e-02 3.127e-02 1.543e-02 / CHEB/ -8.081e-02 -1.889e-02 3.141e-03 7.508e-03 /

2492.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+2.5	+4.5	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-5.8	+1.4	+3.9	+5.0

Chebyshev(coeffs=[[2.25455,-2.84296,-0.743148,-0.0593148],[8.38716,2.00315,0.185059,-0.0963301],[0.450508,0.265974,0.194793,0.0122016],[0.0172538,0.143263,0.0888689,0.0200021],[-0.0770952,0.0508998,0.0322659,0.0156905],[-0.0820237,-0.0180658,0.00361039,0.0078646]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.64
S298 (cal/mol*K) = 16.50
G298 (kcal/mol) = -7.55

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(523); H(25), C7H11(523); C7H10(1)+H(25)(+M)=>C7H11(523)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.255e+00 -2.843e+00 -7.431e-01 -5.931e-02 / CHEB/ 8.387e+00 2.003e+00 1.851e-01 -9.633e-02 / CHEB/ 4.505e-01 2.660e-01 1.948e-01 1.220e-02 / CHEB/ 1.725e-02 1.433e-01 8.887e-02 2.000e-02 / CHEB/ -7.710e-02 5.090e-02 3.227e-02 1.569e-02 / CHEB/ -8.202e-02 -1.807e-02 3.610e-03 7.865e-03 /

2493.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.2	-5.1	-0.6	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-19.9	-5.6	-0.8	+1.4

Chebyshev(coeffs=[[-12.4038,-0.9788,-0.527205,-0.17503],[19.7213,0.471299,0.22764,0.055247],[0.181431,0.198842,0.107689,0.0328365],[-0.0242106,0.153872,0.0781915,0.0212537],[-0.073745,0.0288156,0.0214461,0.011965],[-0.0633893,-0.0258416,-0.00805206,0.00269431]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.39
S298 (cal/mol*K) = 40.41
G298 (kcal/mol) = 46.35

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(524); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(524)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.240e+01 -9.788e-01 -5.272e-01 -1.750e-01 / CHEB/ 1.972e+01 4.713e-01 2.276e-01 5.525e-02 / CHEB/ 1.814e-01 1.988e-01 1.077e-01 3.284e-02 / CHEB/ -2.421e-02 1.539e-01 7.819e-02 2.125e-02 / CHEB/ -7.375e-02 2.882e-02 2.145e-02 1.196e-02 / CHEB/ -6.339e-02 -2.584e-02 -8.052e-03 2.694e-03 /

2494.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.3	-8.0	-2.2	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-27.6	-8.3	-2.3	+0.3

Chebyshev(coeffs=[[-20.278,-0.503177,-0.308513,-0.135226],[27.26,0.197719,0.118074,0.0487287],[-0.320633,0.124575,0.0723735,0.0279262],[-0.170149,0.102588,0.0596308,0.0230837],[-0.10704,0.0158527,0.0124412,0.00791316],[-0.064688,-0.0186657,-0.00871767,-0.00130899]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.59
S298 (cal/mol*K) = 60.62
G298 (kcal/mol) = 69.52

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(525); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(525)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.028e+01 -5.032e-01 -3.085e-01 -1.352e-01 / CHEB/ 2.726e+01 1.977e-01 1.181e-01 4.873e-02 / CHEB/ -3.206e-01 1.246e-01 7.237e-02 2.793e-02 / CHEB/ -1.701e-01 1.026e-01 5.963e-02 2.308e-02 / CHEB/ -1.070e-01 1.585e-02 1.244e-02 7.913e-03 / CHEB/ -6.469e-02 -1.867e-02 -8.718e-03 -1.309e-03 /

2495.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.9	-7.7	-2.2	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-25.3	-8.0	-2.4	+0.1

Chebyshev(coeffs=[[-17.8184,-0.694943,-0.404724,-0.159226],[24.1262,0.296279,0.163201,0.0559749],[0.0260161,0.159883,0.0891998,0.0308391],[-0.0708892,0.128429,0.0702409,0.0233105],[-0.0849548,0.0218439,0.0167817,0.0101526],[-0.0612299,-0.0223956,-0.00891575,0.0002899]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.73
S298 (cal/mol*K) = 43.32
G298 (kcal/mol) = 59.83

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(387); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(387)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.782e+01 -6.949e-01 -4.047e-01 -1.592e-01 / CHEB/ 2.413e+01 2.963e-01 1.632e-01 5.597e-02 / CHEB/ 2.602e-02 1.599e-01 8.920e-02 3.084e-02 / CHEB/ -7.089e-02 1.284e-01 7.024e-02 2.331e-02 / CHEB/ -8.495e-02 2.184e-02 1.678e-02 1.015e-02 / CHEB/ -6.123e-02 -2.240e-02 -8.916e-03 2.899e-04 /

2496.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.1	-12.4	-5.6	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-34.4	-12.6	-5.7	-2.5

Chebyshev(coeffs=[[-26.6526,-0.422202,-0.264394,-0.120976],[30.4996,0.16168,0.099522,0.0438365],[-0.1287,0.107564,0.0639473,0.026071],[-0.117509,0.0894828,0.0534876,0.0220977],[-0.0874284,0.012985,0.0102824,0.00666794],[-0.0554583,-0.0167807,-0.00838859,-0.00188268]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.26
S298 (cal/mol*K) = 48.06
G298 (kcal/mol) = 81.94

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(526); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(526)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.665e+01 -4.222e-01 -2.644e-01 -1.210e-01 / CHEB/ 3.050e+01 1.617e-01 9.952e-02 4.384e-02 / CHEB/ -1.287e-01 1.076e-01 6.395e-02 2.607e-02 / CHEB/ -1.175e-01 8.948e-02 5.349e-02 2.210e-02 / CHEB/ -8.743e-02 1.299e-02 1.028e-02 6.668e-03 / CHEB/ -5.546e-02 -1.678e-02 -8.389e-03 -1.883e-03 /

2497.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.1	-12.4	-5.6	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-34.4	-12.6	-5.7	-2.5

H298 (kcal/mol) = 96.26
S298 (cal/mol*K) = 48.06
G298 (kcal/mol) = 81.94

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(527); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(527)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.665e+01 -4.222e-01 -2.644e-01 -1.210e-01 / CHEB/ 3.050e+01 1.617e-01 9.952e-02 4.384e-02 / CHEB/ -1.287e-01 1.076e-01 6.395e-02 2.607e-02 / CHEB/ -1.175e-01 8.948e-02 5.349e-02 2.210e-02 / CHEB/ -8.743e-02 1.299e-02 1.028e-02 6.668e-03 / CHEB/ -5.546e-02 -1.678e-02 -8.389e-03 -1.883e-03 /

2498.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.1	-11.9	-4.9	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-34.3	-12.1	-5.0	-1.7

Chebyshev(coeffs=[[-26.5531,-0.402087,-0.253116,-0.11703],[31.2052,0.152945,0.0948285,0.0424066],[-0.115722,0.103184,0.0617216,0.0255213],[-0.114744,0.0860659,0.0518095,0.0217464],[-0.085954,0.0122747,0.00973523,0.00633754],[-0.0543145,-0.016268,-0.00826886,-0.0020036]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.46
S298 (cal/mol*K) = 47.64
G298 (kcal/mol) = 84.27

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(460); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(460)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.655e+01 -4.021e-01 -2.531e-01 -1.170e-01 / CHEB/ 3.121e+01 1.529e-01 9.483e-02 4.241e-02 / CHEB/ -1.157e-01 1.032e-01 6.172e-02 2.552e-02 / CHEB/ -1.147e-01 8.607e-02 5.181e-02 2.175e-02 / CHEB/ -8.595e-02 1.227e-02 9.735e-03 6.338e-03 / CHEB/ -5.431e-02 -1.627e-02 -8.269e-03 -2.004e-03 /

2499.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.1	-11.9	-4.9	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-34.3	-12.1	-5.0	-1.7

H298 (kcal/mol) = 98.46
S298 (cal/mol*K) = 47.64
G298 (kcal/mol) = 84.27

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(181); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(181)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.655e+01 -4.021e-01 -2.531e-01 -1.170e-01 / CHEB/ 3.121e+01 1.529e-01 9.483e-02 4.241e-02 / CHEB/ -1.157e-01 1.032e-01 6.172e-02 2.552e-02 / CHEB/ -1.147e-01 8.607e-02 5.181e-02 2.175e-02 / CHEB/ -8.595e-02 1.227e-02 9.735e-03 6.338e-03 / CHEB/ -5.431e-02 -1.627e-02 -8.269e-03 -2.004e-03 /

2500.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.4	-13.4	-6.4	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-35.7	-13.6	-6.5	-3.3

Chebyshev(coeffs=[[-27.8867,-0.407488,-0.25606,-0.117973],[30.9488,0.159857,0.0987738,0.0438563],[-0.0936974,0.104293,0.0623585,0.0257628],[-0.103392,0.0860099,0.0517309,0.0216749],[-0.0776034,0.011569,0.00938377,0.00625691],[-0.0522662,-0.0167299,-0.00850716,-0.00206743]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.46
S298 (cal/mol*K) = 44.71
G298 (kcal/mol) = 84.14

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(528); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(528)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.789e+01 -4.075e-01 -2.561e-01 -1.180e-01 / CHEB/ 3.095e+01 1.599e-01 9.877e-02 4.386e-02 / CHEB/ -9.370e-02 1.043e-01 6.236e-02 2.576e-02 / CHEB/ -1.034e-01 8.601e-02 5.173e-02 2.167e-02 / CHEB/ -7.760e-02 1.157e-02 9.384e-03 6.257e-03 / CHEB/ -5.227e-02 -1.673e-02 -8.507e-03 -2.067e-03 /

2503.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-40.0	-12.6	-4.0	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-40.1	-12.7	-4.0	-0.0

Chebyshev(coeffs=[[-31.9593,-0.202377,-0.125472,-0.0561866],[38.5257,0.107382,0.0605936,0.0213543],[-0.237731,0.0346824,0.02083,0.00864322],[-0.193218,-0.0140961,-0.00645491,-0.000743817],[-0.109242,-0.00180077,-0.00149688,-0.000997284],[-0.0552018,-0.00010232,-0.000455809,-0.000566814]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 124.13
S298 (cal/mol*K) = 55.89
G298 (kcal/mol) = 107.47

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(529); H(25), CH2(137); C7H9(5)+H(25)(+M)=>CH2(137)+C6H8(529)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.196e+01 -2.024e-01 -1.255e-01 -5.619e-02 / CHEB/ 3.853e+01 1.074e-01 6.059e-02 2.135e-02 / CHEB/ -2.377e-01 3.468e-02 2.083e-02 8.643e-03 / CHEB/ -1.932e-01 -1.410e-02 -6.455e-03 -7.438e-04 / CHEB/ -1.092e-01 -1.801e-03 -1.497e-03 -9.973e-04 / CHEB/ -5.520e-02 -1.023e-04 -4.558e-04 -5.668e-04 /

2504.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	+1.9	+5.1	+6.5
log₁₀(k(10 bar)/[mole,m,s])	-8.9	+1.5	+4.9	+6.4

Chebyshev(coeffs=[[-1.41604,-1.01743,-0.241709,-0.0346774],[13.8217,0.605035,0.0127835,-0.026032],[0.109881,0.198336,0.049026,-0.0133124],[-0.0697387,0.0103056,0.0342636,0.00213299],[-0.0520787,-0.0204372,0.0115602,0.00758978],[-0.0242718,-0.0123818,-0.00140604,0.00473947]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -39.96
S298 (cal/mol*K) = -8.85
G298 (kcal/mol) = -37.32

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(530); H(25), C7H10(530); C7H9(5)+H(25)(+M)=>C7H10(530)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.416e+00 -1.017e+00 -2.417e-01 -3.468e-02 / CHEB/ 1.382e+01 6.050e-01 1.278e-02 -2.603e-02 / CHEB/ 1.099e-01 1.983e-01 4.903e-02 -1.331e-02 / CHEB/ -6.974e-02 1.031e-02 3.426e-02 2.133e-03 / CHEB/ -5.208e-02 -2.044e-02 1.156e-02 7.590e-03 / CHEB/ -2.427e-02 -1.238e-02 -1.406e-03 4.739e-03 /

2507.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+4.4	+4.6	+4.6
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+4.2	+4.5	+4.6

Chebyshev(coeffs=[[9.61426,-0.544328,-0.307639,-0.112117],[0.835228,0.339126,0.175161,0.0484269],[0.208746,0.103366,0.0664882,0.0308697],[0.0305086,0.0754083,0.0408603,0.0135815],[-0.0368139,0.0058787,0.00569713,0.0043258],[-0.0411507,-0.020056,-0.00898848,-0.000945971]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.49
S298 (cal/mol*K) = -42.78
G298 (kcal/mol) = -18.75

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(418); C2H4(72), C7H11(418); C5H7(210)+C2H4(72)(+M)=>C7H11(418)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.614e+00 -5.443e-01 -3.076e-01 -1.121e-01 / CHEB/ 8.352e-01 3.391e-01 1.752e-01 4.843e-02 / CHEB/ 2.087e-01 1.034e-01 6.649e-02 3.087e-02 / CHEB/ 3.051e-02 7.541e-02 4.086e-02 1.358e-02 / CHEB/ -3.681e-02 5.879e-03 5.697e-03 4.326e-03 / CHEB/ -4.115e-02 -2.006e-02 -8.988e-03 -9.460e-04 /

2508.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+3.8	+4.5	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+1.9	+3.6	+4.5	+4.9

Chebyshev(coeffs=[[8.536,-0.515738,-0.292574,-0.108619],[1.80289,0.339772,0.177803,0.0517313],[0.514432,0.0850521,0.057434,0.029464],[0.105106,0.0627651,0.0341927,0.0117793],[-0.0156533,0.00171339,0.0027576,0.00278895],[-0.0296632,-0.019735,-0.00986153,-0.00220702]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.95
S298 (cal/mol*K) = -17.94
G298 (kcal/mol) = -18.60

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(92); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(92)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.536e+00 -5.157e-01 -2.926e-01 -1.086e-01 / CHEB/ 1.803e+00 3.398e-01 1.778e-01 5.173e-02 / CHEB/ 5.144e-01 8.505e-02 5.743e-02 2.946e-02 / CHEB/ 1.051e-01 6.277e-02 3.419e-02 1.178e-02 / CHEB/ -1.565e-02 1.713e-03 2.758e-03 2.789e-03 / CHEB/ -2.966e-02 -1.974e-02 -9.862e-03 -2.207e-03 /

2509.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.6	+4.3	+5.1	+5.5
log₁₀(k(10 bar)/[mole,m,s])	+2.2	+4.1	+5.1	+5.5

Chebyshev(coeffs=[[8.8859,-0.504344,-0.287392,-0.107396],[2.04613,0.344022,0.179978,0.0523283],[0.54425,0.0839442,0.0573432,0.0295953],[0.0916234,0.0623866,0.0345872,0.0123076],[-0.0276887,0.00201058,0.00334777,0.00328118],[-0.0366411,-0.019466,-0.00946244,-0.00187308]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.67
S298 (cal/mol*K) = -15.59
G298 (kcal/mol) = -18.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(419); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(419)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.886e+00 -5.043e-01 -2.874e-01 -1.074e-01 / CHEB/ 2.046e+00 3.440e-01 1.800e-01 5.233e-02 / CHEB/ 5.442e-01 8.394e-02 5.734e-02 2.960e-02 / CHEB/ 9.162e-02 6.239e-02 3.459e-02 1.231e-02 / CHEB/ -2.769e-02 2.011e-03 3.348e-03 3.281e-03 / CHEB/ -3.664e-02 -1.947e-02 -9.462e-03 -1.873e-03 /

2510.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.2	+5.1	+5.5	+5.6
log₁₀(k(10 bar)/[mole,m,s])	+3.8	+4.9	+5.4	+5.6

Chebyshev(coeffs=[[10.2264,-0.619652,-0.29811,-0.0997186],[1.08567,0.403634,0.155038,0.0393094],[0.291217,0.116668,0.074645,0.0252657],[0.0530235,0.0707573,0.0423672,0.0149164],[-0.0315513,0.00444161,0.00407599,0.00460134],[-0.0395794,-0.0193661,-0.00870293,-0.00121962]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.82
S298 (cal/mol*K) = -3.88
G298 (kcal/mol) = -33.67

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H6(420); C2H4(72), C2H5(421); C5H7(210)+C2H4(72)(+M)=>C2H5(421)+C5H6(420)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.023e+01 -6.197e-01 -2.981e-01 -9.972e-02 / CHEB/ 1.086e+00 4.036e-01 1.550e-01 3.931e-02 / CHEB/ 2.912e-01 1.167e-01 7.464e-02 2.527e-02 / CHEB/ 5.302e-02 7.076e-02 4.237e-02 1.492e-02 / CHEB/ -3.155e-02 4.442e-03 4.076e-03 4.601e-03 / CHEB/ -3.958e-02 -1.937e-02 -8.703e-03 -1.220e-03 /

2511.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.7	+4.7	+5.7	+6.1
log₁₀(k(10 bar)/[mole,m,s])	+2.4	+4.6	+5.6	+6.1

Chebyshev(coeffs=[[9.1125,-0.490841,-0.28181,-0.106787],[2.36725,0.339939,0.179242,0.0530931],[0.575479,0.0782591,0.0547855,0.0292056],[0.0730077,0.060941,0.0339921,0.0122523],[-0.0420187,0.00227257,0.00340632,0.00325912],[-0.0406029,-0.019033,-0.00937856,-0.00196336]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.46
S298 (cal/mol*K) = -2.12
G298 (kcal/mol) = -16.83

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(422); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C2H3(100)+C5H8(422)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.112e+00 -4.908e-01 -2.818e-01 -1.068e-01 / CHEB/ 2.367e+00 3.399e-01 1.792e-01 5.309e-02 / CHEB/ 5.755e-01 7.826e-02 5.479e-02 2.921e-02 / CHEB/ 7.301e-02 6.094e-02 3.399e-02 1.225e-02 / CHEB/ -4.202e-02 2.273e-03 3.406e-03 3.259e-03 / CHEB/ -4.060e-02 -1.903e-02 -9.379e-03 -1.963e-03 /

2512.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+3.8	+4.9	+5.4
log₁₀(k(10 bar)/[mole,m,s])	+0.7	+3.6	+4.9	+5.4

Chebyshev(coeffs=[[7.46381,-0.471101,-0.257598,-0.0976944],[3.4097,0.335823,0.161326,0.0490455],[0.584183,0.0682,0.0516324,0.0250702],[0.0436935,0.0556593,0.0324748,0.0127942],[-0.0439394,0.00170113,0.00218251,0.00284683],[-0.0392121,-0.017472,-0.00896449,-0.00249903]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = 0.05
G298 (kcal/mol) = -1.31

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H6(423); C2H4(72), C2H5(421); C5H7(210)+C2H4(72)(+M)=>C2H5(421)+C5H6(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.464e+00 -4.711e-01 -2.576e-01 -9.769e-02 / CHEB/ 3.410e+00 3.358e-01 1.613e-01 4.905e-02 / CHEB/ 5.842e-01 6.820e-02 5.163e-02 2.507e-02 / CHEB/ 4.369e-02 5.566e-02 3.247e-02 1.279e-02 / CHEB/ -4.394e-02 1.701e-03 2.183e-03 2.847e-03 / CHEB/ -3.921e-02 -1.747e-02 -8.964e-03 -2.499e-03 /

2513.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-1.5	+1.1	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-1.6	+1.1	+2.4

Chebyshev(coeffs=[[-2.41469,-0.221477,-0.142657,-0.0690124],[10.548,0.138891,0.0870964,0.0399417],[0.290978,0.0455469,0.030395,0.015633],[0.034672,0.0377427,0.0237059,0.0109076],[-0.0323944,-0.00173031,-0.000304558,0.000618154],[-0.029201,-0.0129546,-0.00779822,-0.00325064]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.54
S298 (cal/mol*K) = 0.23
G298 (kcal/mol) = 30.47

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(424); C2H4(72), CH3(425); C5H7(210)+C2H4(72)(+M)=>CH3(425)+C6H8(424)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.415e+00 -2.215e-01 -1.427e-01 -6.901e-02 / CHEB/ 1.055e+01 1.389e-01 8.710e-02 3.994e-02 / CHEB/ 2.910e-01 4.555e-02 3.040e-02 1.563e-02 / CHEB/ 3.467e-02 3.774e-02 2.371e-02 1.091e-02 / CHEB/ -3.239e-02 -1.730e-03 -3.046e-04 6.182e-04 / CHEB/ -2.920e-02 -1.295e-02 -7.798e-03 -3.251e-03 /

2514.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.9	-5.1	-1.6	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-15.0	-5.2	-1.6	+0.1

Chebyshev(coeffs=[[-7.86241,-0.181453,-0.118396,-0.0587637],[13.5743,0.107898,0.069082,0.0331018],[0.362641,0.0398651,0.0263869,0.0133929],[0.0732012,0.0328381,0.0209859,0.00999656],[-0.011107,-0.00194366,-0.000669828,0.000232679],[-0.0191537,-0.0112611,-0.00694611,-0.00306589]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.17
S298 (cal/mol*K) = -7.58
G298 (kcal/mol) = 42.43

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(112); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(112)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.862e+00 -1.815e-01 -1.184e-01 -5.876e-02 / CHEB/ 1.357e+01 1.079e-01 6.908e-02 3.310e-02 / CHEB/ 3.626e-01 3.987e-02 2.639e-02 1.339e-02 / CHEB/ 7.320e-02 3.284e-02 2.099e-02 9.997e-03 / CHEB/ -1.111e-02 -1.944e-03 -6.698e-04 2.327e-04 / CHEB/ -1.915e-02 -1.126e-02 -6.946e-03 -3.066e-03 /

2515.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	-0.3	+1.6	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-5.3	-0.5	+1.6	+2.7

Chebyshev(coeffs=[[1.77519,-0.368046,-0.220764,-0.0939435],[6.06308,0.248102,0.14112,0.0531366],[0.755898,0.0537604,0.037441,0.0207212],[0.113349,0.0482008,0.0278244,0.0105386],[-0.0172059,-0.000161025,0.000940827,0.00142836],[-0.0232193,-0.0158981,-0.00910311,-0.00330301]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.58
S298 (cal/mol*K) = -14.01
G298 (kcal/mol) = 13.75

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(67); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(67)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.775e+00 -3.680e-01 -2.208e-01 -9.394e-02 / CHEB/ 6.063e+00 2.481e-01 1.411e-01 5.314e-02 / CHEB/ 7.559e-01 5.376e-02 3.744e-02 2.072e-02 / CHEB/ 1.133e-01 4.820e-02 2.782e-02 1.054e-02 / CHEB/ -1.721e-02 -1.610e-04 9.408e-04 1.428e-03 / CHEB/ -2.322e-02 -1.590e-02 -9.103e-03 -3.303e-03 /

2516.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.3	-6.1	-1.7	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-6.1	-1.7	+0.5

Chebyshev(coeffs=[[-12.1915,-0.110971,-0.0743779,-0.0387098],[18.62,0.0594063,0.0395356,0.0203139],[0.111667,0.0295483,0.0195949,0.0100009],[0.0169271,0.022667,0.0149962,0.00762278],[-0.0178839,-0.00221172,-0.00113678,-0.000270822],[-0.0180323,-0.00794706,-0.00508351,-0.00241987]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.87
S298 (cal/mol*K) = 5.11
G298 (kcal/mol) = 57.35

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(426); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C2H3(100)+C5H8(426)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.219e+01 -1.110e-01 -7.438e-02 -3.871e-02 / CHEB/ 1.862e+01 5.941e-02 3.954e-02 2.031e-02 / CHEB/ 1.117e-01 2.955e-02 1.959e-02 1.000e-02 / CHEB/ 1.693e-02 2.267e-02 1.500e-02 7.623e-03 / CHEB/ -1.788e-02 -2.212e-03 -1.137e-03 -2.708e-04 / CHEB/ -1.803e-02 -7.947e-03 -5.084e-03 -2.420e-03 /

2517.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.6	-5.3	-1.6	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-15.7	-5.4	-1.6	+0.3

Chebyshev(coeffs=[[-8.53847,-0.181275,-0.116894,-0.0569095],[14.3564,0.111961,0.0694396,0.0314859],[0.403644,0.0374647,0.0258845,0.0138991],[0.0860008,0.0321226,0.0204365,0.00973742],[-0.00624118,-0.00168783,-0.000598352,0.000164416],[-0.0176618,-0.0109483,-0.00672671,-0.00294637]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.52
S298 (cal/mol*K) = -12.00
G298 (kcal/mol) = 45.09

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(427); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(427)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.538e+00 -1.813e-01 -1.169e-01 -5.691e-02 / CHEB/ 1.436e+01 1.120e-01 6.944e-02 3.149e-02 / CHEB/ 4.036e-01 3.746e-02 2.588e-02 1.390e-02 / CHEB/ 8.600e-02 3.212e-02 2.044e-02 9.737e-03 / CHEB/ -6.241e-03 -1.688e-03 -5.984e-04 1.644e-04 / CHEB/ -1.766e-02 -1.095e-02 -6.727e-03 -2.946e-03 /

2518.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-3.3	-0.2	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-11.9	-3.4	-0.3	+1.3

Chebyshev(coeffs=[[-4.77143,-0.218499,-0.140399,-0.0677958],[11.5878,0.135269,0.08463,0.0388399],[0.453775,0.0451104,0.0299513,0.0152504],[0.0854933,0.0373988,0.0234817,0.0107983],[-0.0145312,-0.00158892,-0.000253779,0.000605877],[-0.022721,-0.0126616,-0.00762887,-0.00319478]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.61
S298 (cal/mol*K) = -6.79
G298 (kcal/mol) = 34.63

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(428); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(428)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.771e+00 -2.185e-01 -1.404e-01 -6.780e-02 / CHEB/ 1.159e+01 1.353e-01 8.463e-02 3.884e-02 / CHEB/ 4.538e-01 4.511e-02 2.995e-02 1.525e-02 / CHEB/ 8.549e-02 3.740e-02 2.348e-02 1.080e-02 / CHEB/ -1.453e-02 -1.589e-03 -2.538e-04 6.059e-04 / CHEB/ -2.272e-02 -1.266e-02 -7.629e-03 -3.195e-03 /

2519.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.9	-7.5	-3.1	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-20.0	-7.6	-3.2	-0.9

Chebyshev(coeffs=[[-12.6917,-0.132875,-0.0884137,-0.0454206],[17.362,0.0746112,0.0491149,0.0247388],[0.335295,0.0329483,0.0218319,0.0111233],[0.0773621,0.0261663,0.0171421,0.00855711],[-0.00200252,-0.00218429,-0.00102217,-0.000123545],[-0.013829,-0.00910386,-0.00575818,-0.00267855]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 52.92
S298 (cal/mol*K) = -11.32
G298 (kcal/mol) = 56.29

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(429); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(429)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.269e+01 -1.329e-01 -8.841e-02 -4.542e-02 / CHEB/ 1.736e+01 7.461e-02 4.911e-02 2.474e-02 / CHEB/ 3.353e-01 3.295e-02 2.183e-02 1.112e-02 / CHEB/ 7.736e-02 2.617e-02 1.714e-02 8.557e-03 / CHEB/ -2.003e-03 -2.184e-03 -1.022e-03 -1.235e-04 / CHEB/ -1.383e-02 -9.104e-03 -5.758e-03 -2.679e-03 /

2520.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+3.3	+3.8	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+2.0	+3.1	+3.7	+4.0

Chebyshev(coeffs=[[8.38789,-0.491626,-0.282215,-0.10698],[1.2261,0.298587,0.157592,0.0469951],[0.361611,0.102561,0.064521,0.0288382],[0.0741342,0.0675037,0.0377909,0.0136992],[-0.0213854,0.00197327,0.0034338,0.00349228],[-0.0332927,-0.0194455,-0.00914022,-0.00146754]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -71.68
S298 (cal/mol*K) = -50.44
G298 (kcal/mol) = -56.65

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(430); C2H4(72), C7H11(430); C5H7(210)+C2H4(72)(+M)=>C7H11(430)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.388e+00 -4.916e-01 -2.822e-01 -1.070e-01 / CHEB/ 1.226e+00 2.986e-01 1.576e-01 4.700e-02 / CHEB/ 3.616e-01 1.026e-01 6.452e-02 2.884e-02 / CHEB/ 7.413e-02 6.750e-02 3.779e-02 1.370e-02 / CHEB/ -2.139e-02 1.973e-03 3.434e-03 3.492e-03 / CHEB/ -3.329e-02 -1.945e-02 -9.140e-03 -1.468e-03 /

2521.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.4	-6.9	-3.0	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-18.5	-7.0	-3.0	-1.1

Chebyshev(coeffs=[[-11.3296,-0.142054,-0.0942236,-0.0481312],[16.0346,0.0810602,0.0531084,0.0265177],[0.229664,0.0343478,0.0227603,0.0115953],[0.0437461,0.0275565,0.0179768,0.00890326],[-0.014874,-0.00215917,-0.000964258,-5.62066e-05],[-0.0189238,-0.00956576,-0.00602123,-0.00277288]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.19
S298 (cal/mol*K) = -4.36
G298 (kcal/mol) = 50.49

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(431); C2H4(72), CH2(137); C5H7(210)+C2H4(72)(+M)=>CH2(137)+C6H9(431)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.133e+01 -1.421e-01 -9.422e-02 -4.813e-02 / CHEB/ 1.603e+01 8.106e-02 5.311e-02 2.652e-02 / CHEB/ 2.297e-01 3.435e-02 2.276e-02 1.160e-02 / CHEB/ 4.375e-02 2.756e-02 1.798e-02 8.903e-03 / CHEB/ -1.487e-02 -2.159e-03 -9.643e-04 -5.621e-05 / CHEB/ -1.892e-02 -9.566e-03 -6.021e-03 -2.773e-03 /

2522.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.5	+2.2	+3.0	+3.4
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+2.0	+2.9	+3.4

Chebyshev(coeffs=[[6.79087,-0.501658,-0.286902,-0.107696],[2.03301,0.343622,0.180328,0.0526124],[0.527855,0.0834202,0.0574161,0.029827],[0.0817455,0.0625047,0.0347698,0.0124541],[-0.032143,0.00217314,0.00343753,0.00335193],[-0.0382725,-0.0194434,-0.00945654,-0.00185061]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -90.80
S298 (cal/mol*K) = -43.17
G298 (kcal/mol) = -77.94

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(432); C2H4(72), C7H11(432); C5H7(210)+C2H4(72)(+M)=>C7H11(432)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.791e+00 -5.017e-01 -2.869e-01 -1.077e-01 / CHEB/ 2.033e+00 3.436e-01 1.803e-01 5.261e-02 / CHEB/ 5.279e-01 8.342e-02 5.742e-02 2.983e-02 / CHEB/ 8.175e-02 6.250e-02 3.477e-02 1.245e-02 / CHEB/ -3.214e-02 2.173e-03 3.438e-03 3.352e-03 / CHEB/ -3.827e-02 -1.944e-02 -9.457e-03 -1.851e-03 /

2523.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.9	-8.7	-3.5	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-24.0	-8.7	-3.6	-1.0

Chebyshev(coeffs=[[-16.6023,-0.0892298,-0.0602158,-0.0317188],[21.4683,0.0446671,0.0300293,0.0157112],[0.137487,0.0260096,0.0172949,0.0088713],[0.0289332,0.0189347,0.0126433,0.00653527],[-0.00988546,-0.00217558,-0.00120543,-0.000391802],[-0.0137709,-0.00672217,-0.00434794,-0.00211583]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.47
S298 (cal/mol*K) = 1.33
G298 (kcal/mol) = 59.08

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H4(434); C2H4(72), C3H7(433); C5H7(210)+C2H4(72)(+M)=>C4H4(434)+C3H7(433)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.660e+01 -8.923e-02 -6.022e-02 -3.172e-02 / CHEB/ 2.147e+01 4.467e-02 3.003e-02 1.571e-02 / CHEB/ 1.375e-01 2.601e-02 1.729e-02 8.871e-03 / CHEB/ 2.893e-02 1.893e-02 1.264e-02 6.535e-03 / CHEB/ -9.885e-03 -2.176e-03 -1.205e-03 -3.918e-04 / CHEB/ -1.377e-02 -6.722e-03 -4.348e-03 -2.116e-03 /

2541.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.0	-4.8	-0.4	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-17.3	-5.0	-0.6	+1.8

Chebyshev(coeffs=[[-10.0174,-0.476021,-0.270964,-0.110808],[17.2993,0.196808,0.108307,0.0468429],[0.298426,0.0593819,0.0279062,0.00586861],[0.119278,0.091304,0.0463618,0.01171],[0.0507026,0.0486532,0.0284398,0.0102764],[0.0156597,0.00214969,0.00421198,0.00375343]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 45.56
S298 (cal/mol*K) = 24.40
G298 (kcal/mol) = 38.29

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(531); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(531)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.002e+01 -4.760e-01 -2.710e-01 -1.108e-01 / CHEB/ 1.730e+01 1.968e-01 1.083e-01 4.684e-02 / CHEB/ 2.984e-01 5.938e-02 2.791e-02 5.869e-03 / CHEB/ 1.193e-01 9.130e-02 4.636e-02 1.171e-02 / CHEB/ 5.070e-02 4.865e-02 2.844e-02 1.028e-02 / CHEB/ 1.566e-02 2.150e-03 4.212e-03 3.753e-03 /

2542.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-3.0	+0.9	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-14.8	-3.3	+0.7	+2.8

Chebyshev(coeffs=[[-7.81656,-0.485659,-0.27611,-0.112555],[16.4494,0.185612,0.102466,0.0450798],[0.0470757,0.0614018,0.0286962,0.006045],[0.0474149,0.0952166,0.0479345,0.0117958],[0.0267633,0.0522394,0.0299115,0.010304],[0.0067782,0.00416448,0.00518449,0.00390643]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.66
S298 (cal/mol*K) = 36.20
G298 (kcal/mol) = 37.88

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(532); H(25), CH3(425); C7H10(1)+H(25)(+M)=>C6H8(532)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.817e+00 -4.857e-01 -2.761e-01 -1.126e-01 / CHEB/ 1.645e+01 1.856e-01 1.025e-01 4.508e-02 / CHEB/ 4.708e-02 6.140e-02 2.870e-02 6.045e-03 / CHEB/ 4.741e-02 9.522e-02 4.793e-02 1.180e-02 / CHEB/ 2.676e-02 5.224e-02 2.991e-02 1.030e-02 / CHEB/ 6.778e-03 4.164e-03 5.184e-03 3.906e-03 /

2543.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.1	-6.7	-2.2	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-20.3	-7.0	-2.3	+0.2

Chebyshev(coeffs=[[-13.1087,-0.405311,-0.234352,-0.097871],[18.9431,0.139698,0.0782051,0.0350868],[0.164214,0.0550154,0.0250981,0.00436471],[0.0843109,0.0844714,0.044339,0.0127199],[0.0412601,0.0449772,0.0271864,0.0106781],[0.0128803,0.00291955,0.00432108,0.00359228]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.35
S298 (cal/mol*K) = 24.11
G298 (kcal/mol) = 50.17

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(533); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(533)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.311e+01 -4.053e-01 -2.344e-01 -9.787e-02 / CHEB/ 1.894e+01 1.397e-01 7.821e-02 3.509e-02 / CHEB/ 1.642e-01 5.502e-02 2.510e-02 4.365e-03 / CHEB/ 8.431e-02 8.447e-02 4.434e-02 1.272e-02 / CHEB/ 4.126e-02 4.498e-02 2.719e-02 1.068e-02 / CHEB/ 1.288e-02 2.920e-03 4.321e-03 3.592e-03 /

2544.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.5	-8.9	-3.3	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-25.6	-9.1	-3.4	-0.5

Chebyshev(coeffs=[[-18.1671,-0.267347,-0.160381,-0.069459],[23.4303,0.0754865,0.0435123,0.0185483],[0.109444,0.039597,0.0173397,0.00181501],[0.0645982,0.0575665,0.0327214,0.0120549],[0.0335066,0.0292725,0.0199754,0.0101192],[0.00970974,0.00212054,0.00336535,0.00306876]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.40
S298 (cal/mol*K) = 32.24
G298 (kcal/mol) = 62.80

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(534); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(534)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.817e+01 -2.673e-01 -1.604e-01 -6.946e-02 / CHEB/ 2.343e+01 7.549e-02 4.351e-02 1.855e-02 / CHEB/ 1.094e-01 3.960e-02 1.734e-02 1.815e-03 / CHEB/ 6.460e-02 5.757e-02 3.272e-02 1.205e-02 / CHEB/ 3.351e-02 2.927e-02 1.998e-02 1.012e-02 / CHEB/ 9.710e-03 2.121e-03 3.365e-03 3.069e-03 /

2545.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.4	-8.9	-3.4	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-25.5	-9.1	-3.4	-0.6

Chebyshev(coeffs=[[-18.1131,-0.265213,-0.159222,-0.0690435],[23.3597,0.0742736,0.0428915,0.0183473],[0.0804486,0.039301,0.0171566,0.00172455],[0.0555855,0.0573121,0.0326068,0.0120412],[0.0302986,0.0291083,0.0198983,0.0101138],[0.00846661,0.0021022,0.00334748,0.00305919]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.40
S298 (cal/mol*K) = 32.70
G298 (kcal/mol) = 62.66

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(535); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(535)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.811e+01 -2.652e-01 -1.592e-01 -6.904e-02 / CHEB/ 2.336e+01 7.427e-02 4.289e-02 1.835e-02 / CHEB/ 8.045e-02 3.930e-02 1.716e-02 1.725e-03 / CHEB/ 5.559e-02 5.731e-02 3.261e-02 1.204e-02 / CHEB/ 3.030e-02 2.911e-02 1.990e-02 1.011e-02 / CHEB/ 8.467e-03 2.102e-03 3.347e-03 3.059e-03 /

2546.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.6	-11.5	-5.0	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-30.7	-11.7	-5.1	-1.8

Chebyshev(coeffs=[[-22.9668,-0.201567,-0.12416,-0.0557807],[26.9035,0.0510774,0.0301995,0.0127394],[0.167641,0.0282505,0.0122874,0.000978269],[0.0723655,0.0421435,0.0250449,0.0103095],[0.0310808,0.0217362,0.015638,0.00876563],[0.00711634,0.00269644,0.00322537,0.00272193]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.95
S298 (cal/mol*K) = 29.61
G298 (kcal/mol) = 74.13

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(536); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(536)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.297e+01 -2.016e-01 -1.242e-01 -5.578e-02 / CHEB/ 2.690e+01 5.108e-02 3.020e-02 1.274e-02 / CHEB/ 1.676e-01 2.825e-02 1.229e-02 9.783e-04 / CHEB/ 7.237e-02 4.214e-02 2.504e-02 1.031e-02 / CHEB/ 3.108e-02 2.174e-02 1.564e-02 8.766e-03 / CHEB/ 7.116e-03 2.696e-03 3.225e-03 2.722e-03 /

2547.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	+1.3	+3.7	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-6.3	+0.7	+3.4	+4.8

Chebyshev(coeffs=[[0.807909,-1.09566,-0.505039,-0.122339],[9.53163,0.655993,0.255777,0.0278748],[0.398168,0.0840471,0.0485111,0.0200319],[0.0855254,0.111144,0.0474112,0.00730879],[0.00509942,0.0782787,0.037194,0.00755611],[-0.010475,0.015487,0.0121606,0.00545341]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.76
S298 (cal/mol*K) = 16.80
G298 (kcal/mol) = -8.76

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(537); H(25), C7H11(537); C7H10(1)+H(25)(+M)=>C7H11(537)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.079e-01 -1.096e+00 -5.050e-01 -1.223e-01 / CHEB/ 9.532e+00 6.560e-01 2.558e-01 2.787e-02 / CHEB/ 3.982e-01 8.405e-02 4.851e-02 2.003e-02 / CHEB/ 8.553e-02 1.111e-01 4.741e-02 7.309e-03 / CHEB/ 5.099e-03 7.828e-02 3.719e-02 7.556e-03 / CHEB/ -1.048e-02 1.549e-02 1.216e-02 5.453e-03 /

2548.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.6	+3.3	+4.8	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-1.8	+2.6	+4.4	+5.3

Chebyshev(coeffs=[[5.59389,-1.9167,-0.468245,-0.0631757],[5.13422,1.46091,0.0916818,-0.050583],[0.50738,0.0101958,0.122909,0.0227505],[0.0749141,0.083606,0.055876,0.0114899],[-0.00123852,0.100065,0.0322931,0.00687968],[-0.0243558,0.0301235,0.013955,0.00548656]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.89
S298 (cal/mol*K) = 19.21
G298 (kcal/mol) = -9.61

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(538); H(25), C7H11(538); C7H10(1)+H(25)(+M)=>C7H11(538)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.594e+00 -1.917e+00 -4.682e-01 -6.318e-02 / CHEB/ 5.134e+00 1.461e+00 9.168e-02 -5.058e-02 / CHEB/ 5.074e-01 1.020e-02 1.229e-01 2.275e-02 / CHEB/ 7.491e-02 8.361e-02 5.588e-02 1.149e-02 / CHEB/ -1.239e-03 1.001e-01 3.229e-02 6.880e-03 / CHEB/ -2.436e-02 3.012e-02 1.396e-02 5.487e-03 /

2549.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.7	-10.9	-4.6	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-29.8	-11.0	-4.6	-1.4

Chebyshev(coeffs=[[-22.2636,-0.19396,-0.119904,-0.0541759],[26.7487,0.0484832,0.0287603,0.0121453],[0.0359295,0.0267531,0.0116417,0.000907932],[0.0323358,0.0402979,0.0240841,0.010042],[0.0170334,0.0209141,0.0151149,0.00854945],[0.00190022,0.00280801,0.00322423,0.00267496]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.42
S298 (cal/mol*K) = 38.84
G298 (kcal/mol) = 71.84

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(539); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(539)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.226e+01 -1.940e-01 -1.199e-01 -5.418e-02 / CHEB/ 2.675e+01 4.848e-02 2.876e-02 1.215e-02 / CHEB/ 3.593e-02 2.675e-02 1.164e-02 9.079e-04 / CHEB/ 3.234e-02 4.030e-02 2.408e-02 1.004e-02 / CHEB/ 1.703e-02 2.091e-02 1.511e-02 8.549e-03 / CHEB/ 1.900e-03 2.808e-03 3.224e-03 2.675e-03 /

2550.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	+0.0	+2.1	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-6.3	-0.5	+1.8	+3.0

Chebyshev(coeffs=[[0.885755,-1.4022,-0.534993,-0.089615],[7.51634,0.955064,0.251524,-0.0187491],[0.500132,0.0639322,0.0677162,0.028222],[0.0920927,0.101398,0.0462542,0.00959869],[0.00887148,0.0865925,0.036685,0.00623253],[-0.0127841,0.0198815,0.0140325,0.00539252]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -46.24
S298 (cal/mol*K) = -2.86
G298 (kcal/mol) = -45.38

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(540); H(25), C7H11(540); C7H10(1)+H(25)(+M)=>C7H11(540)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.858e-01 -1.402e+00 -5.350e-01 -8.961e-02 / CHEB/ 7.516e+00 9.551e-01 2.515e-01 -1.875e-02 / CHEB/ 5.001e-01 6.393e-02 6.772e-02 2.822e-02 / CHEB/ 9.209e-02 1.014e-01 4.625e-02 9.599e-03 / CHEB/ 8.871e-03 8.659e-02 3.668e-02 6.233e-03 / CHEB/ -1.278e-02 1.988e-02 1.403e-02 5.393e-03 /

2561.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.8	-9.5	-4.4	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-23.9	-9.7	-4.5	-1.7

Chebyshev(coeffs=[[-16.5128,-0.254726,-0.142773,-0.0564742],[20.2247,0.0676896,0.0333827,0.0134463],[0.336358,0.0635031,0.0301543,0.0058355],[0.167119,0.0615538,0.0330335,0.0100764],[0.0807394,0.0235345,0.0155051,0.00699131],[0.0323114,-0.00509602,-0.000503798,0.00171701]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.67
S298 (cal/mol*K) = 18.32
G298 (kcal/mol) = 52.21

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(541); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(541)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.651e+01 -2.547e-01 -1.428e-01 -5.647e-02 / CHEB/ 2.022e+01 6.769e-02 3.338e-02 1.345e-02 / CHEB/ 3.364e-01 6.350e-02 3.015e-02 5.836e-03 / CHEB/ 1.671e-01 6.155e-02 3.303e-02 1.008e-02 / CHEB/ 8.074e-02 2.353e-02 1.551e-02 6.991e-03 / CHEB/ 3.231e-02 -5.096e-03 -5.038e-04 1.717e-03 /

2562.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-2.3	+0.0	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-2.7	-0.2	+1.2

Chebyshev(coeffs=[[-2.168,-0.845044,-0.355634,-0.066517],[8.84251,0.467011,0.148987,-0.00259709],[0.362436,0.106312,0.053421,0.0129593],[0.0982832,0.100526,0.0440379,0.00762239],[0.0222955,0.0573916,0.025629,0.00398814],[-0.00159831,0.0055229,0.00628863,0.00288886]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.12
S298 (cal/mol*K) = -2.93
G298 (kcal/mol) = -13.25

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(542); H(25), C7H11(542); C7H10(1)+H(25)(+M)=>C7H11(542)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.168e+00 -8.450e-01 -3.556e-01 -6.652e-02 / CHEB/ 8.843e+00 4.670e-01 1.490e-01 -2.597e-03 / CHEB/ 3.624e-01 1.063e-01 5.342e-02 1.296e-02 / CHEB/ 9.828e-02 1.005e-01 4.404e-02 7.622e-03 / CHEB/ 2.230e-02 5.739e-02 2.563e-02 3.988e-03 / CHEB/ -1.598e-03 5.523e-03 6.289e-03 2.889e-03 /

2563.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-1.8	+0.6	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-8.8	-2.2	+0.4	+1.9

Chebyshev(coeffs=[[-1.62302,-0.863465,-0.35378,-0.0623709],[8.82054,0.510528,0.153406,-0.00724534],[0.49318,0.0987656,0.0557405,0.0153333],[0.129991,0.097532,0.0434802,0.00826153],[0.0350365,0.056497,0.0250946,0.00397041],[0.00486965,0.00429793,0.00589168,0.00291292]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.12
S298 (cal/mol*K) = -3.66
G298 (kcal/mol) = -19.03

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(543); H(25), C7H11(543); C7H10(1)+H(25)(+M)=>C7H11(543)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.623e+00 -8.635e-01 -3.538e-01 -6.237e-02 / CHEB/ 8.821e+00 5.105e-01 1.534e-01 -7.245e-03 / CHEB/ 4.932e-01 9.877e-02 5.574e-02 1.533e-02 / CHEB/ 1.300e-01 9.753e-02 4.348e-02 8.262e-03 / CHEB/ 3.504e-02 5.650e-02 2.509e-02 3.970e-03 / CHEB/ 4.870e-03 4.298e-03 5.892e-03 2.913e-03 /

2564.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+1.7	+2.5	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+0.7	+2.1	+2.6

Chebyshev(coeffs=[[4.27019,-2.98858,-0.621842,0.0766787],[4.26293,2.34508,0.164279,-0.230439],[0.208112,0.390579,0.238991,0.0491216],[-0.0466871,0.0326903,0.0401172,0.0160074],[-0.0457284,-0.0317388,0.00667,0.00491276],[-0.0241637,-0.0299755,0.00408108,0.00929068]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.42
S298 (cal/mol*K) = -5.04
G298 (kcal/mol) = -18.92

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(544); H(25), C7H11(544); C7H10(1)+H(25)(+M)=>C7H11(544)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.270e+00 -2.989e+00 -6.218e-01 7.668e-02 / CHEB/ 4.263e+00 2.345e+00 1.643e-01 -2.304e-01 / CHEB/ 2.081e-01 3.906e-01 2.390e-01 4.912e-02 / CHEB/ -4.669e-02 3.269e-02 4.012e-02 1.601e-02 / CHEB/ -4.573e-02 -3.174e-02 6.670e-03 4.913e-03 / CHEB/ -2.416e-02 -2.998e-02 4.081e-03 9.291e-03 /

2565.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.1	-13.1	-6.3	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-33.2	-13.2	-6.3	-2.8

Chebyshev(coeffs=[[-25.4937,-0.12122,-0.0736208,-0.0319304],[28.4644,0.0146411,0.00686906,0.00120682],[0.101023,0.0304686,0.0150779,0.00336171],[0.0890353,0.0277262,0.016718,0.00710565],[0.0486457,0.0110196,0.00859552,0.00535181],[0.0169988,-0.000263455,0.000950334,0.00136915]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.88
S298 (cal/mol*K) = 29.00
G298 (kcal/mol) = 80.24

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(545); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(545)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.549e+01 -1.212e-01 -7.362e-02 -3.193e-02 / CHEB/ 2.846e+01 1.464e-02 6.869e-03 1.207e-03 / CHEB/ 1.010e-01 3.047e-02 1.508e-02 3.362e-03 / CHEB/ 8.904e-02 2.773e-02 1.672e-02 7.106e-03 / CHEB/ 4.865e-02 1.102e-02 8.596e-03 5.352e-03 / CHEB/ 1.700e-02 -2.635e-04 9.503e-04 1.369e-03 /

2566.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.1	-13.3	-6.5	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-33.2	-13.4	-6.6	-3.0

Chebyshev(coeffs=[[-25.4978,-0.124209,-0.0752309,-0.0324692],[28.1981,0.0153183,0.00719059,0.00129492],[0.103433,0.0314659,0.0155245,0.00342006],[0.0899731,0.0285553,0.0171607,0.00724063],[0.0491608,0.0112797,0.00878505,0.00544929],[0.0174048,-0.000385736,0.000915461,0.00138355]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.28
S298 (cal/mol*K) = 26.89
G298 (kcal/mol) = 80.26

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(546); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(546)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.550e+01 -1.242e-01 -7.523e-02 -3.247e-02 / CHEB/ 2.820e+01 1.532e-02 7.191e-03 1.295e-03 / CHEB/ 1.034e-01 3.147e-02 1.552e-02 3.420e-03 / CHEB/ 8.997e-02 2.856e-02 1.716e-02 7.241e-03 / CHEB/ 4.916e-02 1.128e-02 8.785e-03 5.449e-03 / CHEB/ 1.740e-02 -3.857e-04 9.155e-04 1.384e-03 /

2567.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.7	-12.1	-5.8	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-30.8	-12.2	-5.8	-2.5

Chebyshev(coeffs=[[-23.2355,-0.144315,-0.0859399,-0.0360264],[26.4906,0.0199004,0.00933851,0.00195197],[0.103691,0.0379361,0.0183911,0.00377711],[0.0920372,0.0342761,0.0201552,0.00808811],[0.0513075,0.0132042,0.0101,0.00604829],[0.0194426,-0.00117538,0.00069909,0.00147989]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.88
S298 (cal/mol*K) = 28.27
G298 (kcal/mol) = 74.45

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(547); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(547)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.324e+01 -1.443e-01 -8.594e-02 -3.603e-02 / CHEB/ 2.649e+01 1.990e-02 9.339e-03 1.952e-03 / CHEB/ 1.037e-01 3.794e-02 1.839e-02 3.777e-03 / CHEB/ 9.204e-02 3.428e-02 2.016e-02 8.088e-03 / CHEB/ 5.131e-02 1.320e-02 1.010e-02 6.048e-03 / CHEB/ 1.944e-02 -1.175e-03 6.991e-04 1.480e-03 /

2568.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.9	-12.4	-6.0	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-31.0	-12.5	-6.1	-2.7

Chebyshev(coeffs=[[-23.4261,-0.145189,-0.0864043,-0.0361801],[26.4191,0.0197859,0.00926075,0.00192316],[0.0944241,0.0382989,0.0185563,0.00380448],[0.0922641,0.0347252,0.0203853,0.0081503],[0.0527634,0.0133258,0.0101761,0.00607706],[0.0194447,-0.00124931,0.000673115,0.00148178]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.58
S298 (cal/mol*K) = 26.89
G298 (kcal/mol) = 74.56

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(186); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(186)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.343e+01 -1.452e-01 -8.640e-02 -3.618e-02 / CHEB/ 2.642e+01 1.979e-02 9.261e-03 1.923e-03 / CHEB/ 9.442e-02 3.830e-02 1.856e-02 3.804e-03 / CHEB/ 9.226e-02 3.473e-02 2.039e-02 8.150e-03 / CHEB/ 5.276e-02 1.333e-02 1.018e-02 6.077e-03 / CHEB/ 1.944e-02 -1.249e-03 6.731e-04 1.482e-03 /

2569.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.0	-16.7	-9.3	-5.5
log₁₀(k(10 bar)/[mole,m,s])	-38.0	-16.8	-9.4	-5.5

Chebyshev(coeffs=[[-30.0942,-0.10604,-0.0652799,-0.0290352],[30.1295,0.0141664,0.00695129,0.0014795],[0.23696,0.0254505,0.0128608,0.00311928],[0.124629,0.0228053,0.0140695,0.006277],[0.0577568,0.00919259,0.00731661,0.00470468],[0.0193437,0.000176874,0.000998011,0.0012203]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 93.58
S298 (cal/mol*K) = 17.87
G298 (kcal/mol) = 88.25

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(548); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(548)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.009e+01 -1.060e-01 -6.528e-02 -2.904e-02 / CHEB/ 3.013e+01 1.417e-02 6.951e-03 1.479e-03 / CHEB/ 2.370e-01 2.545e-02 1.286e-02 3.119e-03 / CHEB/ 1.246e-01 2.281e-02 1.407e-02 6.277e-03 / CHEB/ 5.776e-02 9.193e-03 7.317e-03 4.705e-03 / CHEB/ 1.934e-02 1.769e-04 9.980e-04 1.220e-03 /

2572.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+2.0	+3.7	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-4.5	+1.5	+3.4	+4.2

Chebyshev(coeffs=[[2.67207,-1.75939,-0.64958,-0.0719247],[7.50426,1.40502,0.387519,-0.0396266],[0.157143,0.184119,0.138865,0.0415213],[-0.0281944,0.042121,0.0241196,0.0129308],[-0.0495396,0.00126609,0.0050636,0.00489251],[-0.0449124,-0.0175057,-0.00034463,0.00487579]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.21
S298 (cal/mol*K) = 11.19
G298 (kcal/mol) = 13.88

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(418); H(25), C7H11(418); C7H10(1)+H(25)(+M)=>C7H11(418)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.672e+00 -1.759e+00 -6.496e-01 -7.192e-02 / CHEB/ 7.504e+00 1.405e+00 3.875e-01 -3.963e-02 / CHEB/ 1.571e-01 1.841e-01 1.389e-01 4.152e-02 / CHEB/ -2.819e-02 4.212e-02 2.412e-02 1.293e-02 / CHEB/ -4.954e-02 1.266e-03 5.064e-03 4.893e-03 / CHEB/ -4.491e-02 -1.751e-02 -3.446e-04 4.876e-03 /

2573.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	+0.9	+3.3	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-7.6	+0.3	+3.0	+4.3

Chebyshev(coeffs=[[-0.346421,-1.39853,-0.5134,-0.117606],[10.5365,0.888541,0.32867,0.0562958],[0.235688,0.215302,0.0563531,0.0324042],[-0.0218779,0.123628,0.0141412,-0.00447454],[-0.0627332,0.0363595,0.0111937,-0.00464048],[-0.052439,-0.0119616,0.0066537,-0.000620422]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.76
S298 (cal/mol*K) = 36.02
G298 (kcal/mol) = 14.02

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(92); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(92)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.464e-01 -1.399e+00 -5.134e-01 -1.176e-01 / CHEB/ 1.054e+01 8.885e-01 3.287e-01 5.630e-02 / CHEB/ 2.357e-01 2.153e-01 5.635e-02 3.240e-02 / CHEB/ -2.188e-02 1.236e-01 1.414e-02 -4.475e-03 / CHEB/ -6.273e-02 3.636e-02 1.119e-02 -4.640e-03 / CHEB/ -5.244e-02 -1.196e-02 6.654e-03 -6.204e-04 /

2574.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	+1.0	+3.7	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-7.8	+0.6	+3.5	+4.8

Chebyshev(coeffs=[[-0.717904,-1.07628,-0.52393,-0.133372],[11.3711,0.792011,0.339622,0.0496195],[0.224966,0.138888,0.0902637,0.0356365],[0.000813503,0.0698888,0.0311183,0.0075819],[-0.0441872,0.00581618,0.00683717,0.00507899],[-0.0441557,-0.0205176,-0.0050495,0.00308695]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.04
S298 (cal/mol*K) = 38.37
G298 (kcal/mol) = 14.60

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(419); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(419)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.179e-01 -1.076e+00 -5.239e-01 -1.334e-01 / CHEB/ 1.137e+01 7.920e-01 3.396e-01 4.962e-02 / CHEB/ 2.250e-01 1.389e-01 9.026e-02 3.564e-02 / CHEB/ 8.135e-04 6.989e-02 3.112e-02 7.582e-03 / CHEB/ -4.419e-02 5.816e-03 6.837e-03 5.079e-03 / CHEB/ -4.416e-02 -2.052e-02 -5.050e-03 3.087e-03 /

2575.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+2.4	+4.3	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-4.6	+1.9	+4.1	+5.1

Chebyshev(coeffs=[[2.51027,-1.57785,-0.626588,-0.0921422],[8.44076,1.25002,0.386375,-0.0125077],[0.219582,0.155603,0.125461,0.0415301],[-0.0117727,0.052558,0.0227241,0.0103019],[-0.046413,0.00429822,0.00613178,0.00446906],[-0.0447386,-0.0170388,-0.00118351,0.0044312]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.88
S298 (cal/mol*K) = 50.09
G298 (kcal/mol) = -1.04

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H6(420); H(25), C2H5(421); C7H10(1)+H(25)(+M)=>C2H5(421)+C5H6(420)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.510e+00 -1.578e+00 -6.266e-01 -9.214e-02 / CHEB/ 8.441e+00 1.250e+00 3.864e-01 -1.251e-02 / CHEB/ 2.196e-01 1.556e-01 1.255e-01 4.153e-02 / CHEB/ -1.177e-02 5.256e-02 2.272e-02 1.030e-02 / CHEB/ -4.641e-02 4.298e-03 6.132e-03 4.469e-03 / CHEB/ -4.474e-02 -1.704e-02 -1.184e-03 4.431e-03 /

2576.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	+1.3	+4.1	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-8.2	+1.0	+4.0	+5.3

Chebyshev(coeffs=[[-1.18967,-0.926429,-0.476998,-0.139186],[12.5136,0.64228,0.297931,0.0591502],[0.133824,0.135589,0.0844203,0.0333823],[-0.0278141,0.0766715,0.0354443,0.00818667],[-0.0604604,0.0073641,0.00718891,0.00505519],[-0.0488785,-0.0203965,-0.0059727,0.00242359]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.24
S298 (cal/mol*K) = 51.85
G298 (kcal/mol) = 15.79

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(422); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(422)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.190e+00 -9.264e-01 -4.770e-01 -1.392e-01 / CHEB/ 1.251e+01 6.423e-01 2.979e-01 5.915e-02 / CHEB/ 1.338e-01 1.356e-01 8.442e-02 3.338e-02 / CHEB/ -2.781e-02 7.667e-02 3.544e-02 8.187e-03 / CHEB/ -6.046e-02 7.364e-03 7.189e-03 5.055e-03 / CHEB/ -4.888e-02 -2.040e-02 -5.973e-03 2.424e-03 /

2577.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.1	-0.2	+3.1	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-11.5	-0.5	+3.0	+4.5

Chebyshev(coeffs=[[-4.63201,-0.636066,-0.35886,-0.13103],[15.417,0.388688,0.20407,0.0607118],[-0.0605335,0.110686,0.0684597,0.0293876],[-0.0749269,0.0784802,0.0400846,0.0111056],[-0.0668763,0.0087049,0.00679847,0.00421757],[-0.0492704,-0.0188297,-0.00763213,6.79776e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.41
S298 (cal/mol*K) = 54.02
G298 (kcal/mol) = 31.31

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H6(423); H(25), C2H5(421); C7H10(1)+H(25)(+M)=>C2H5(421)+C5H6(423)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.632e+00 -6.361e-01 -3.589e-01 -1.310e-01 / CHEB/ 1.542e+01 3.887e-01 2.041e-01 6.071e-02 / CHEB/ -6.053e-02 1.107e-01 6.846e-02 2.939e-02 / CHEB/ -7.493e-02 7.848e-02 4.008e-02 1.111e-02 / CHEB/ -6.688e-02 8.705e-03 6.798e-03 4.218e-03 / CHEB/ -4.927e-02 -1.883e-02 -7.632e-03 6.798e-05 /

2578.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.2	-6.7	-1.3	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-24.4	-6.8	-1.4	+1.1

Chebyshev(coeffs=[[-17.137,-0.253228,-0.162482,-0.0779997],[24.7574,0.129707,0.0813463,0.0372525],[-0.257846,0.0549024,0.0354196,0.0171862],[-0.145252,0.0486672,0.0298819,0.0130904],[-0.0801228,0.00324668,0.00279699,0.00200183],[-0.0433497,-0.01303,-0.0075312,-0.00283743]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.24
S298 (cal/mol*K) = 54.20
G298 (kcal/mol) = 63.09

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(424); H(25), CH3(425); C7H10(1)+H(25)(+M)=>CH3(425)+C6H8(424)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.714e+01 -2.532e-01 -1.625e-01 -7.800e-02 / CHEB/ 2.476e+01 1.297e-01 8.135e-02 3.725e-02 / CHEB/ -2.578e-01 5.490e-02 3.542e-02 1.719e-02 / CHEB/ -1.453e-01 4.867e-02 2.988e-02 1.309e-02 / CHEB/ -8.012e-02 3.247e-03 2.797e-03 2.002e-03 / CHEB/ -4.335e-02 -1.303e-02 -7.531e-03 -2.837e-03 /

2579.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.4	-10.5	-4.2	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-30.5	-10.6	-4.3	-1.3

Chebyshev(coeffs=[[-22.991,-0.201842,-0.131696,-0.0652719],[28.0363,0.099379,0.0638465,0.030693],[-0.133563,0.0454085,0.0294638,0.0144577],[-0.108524,0.0405572,0.0255607,0.0118293],[-0.0641034,0.00181561,0.00174356,0.00138015],[-0.03481,-0.011268,-0.00676807,-0.00281088]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.87
S298 (cal/mol*K) = 46.38
G298 (kcal/mol) = 75.05

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(112); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(112)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.299e+01 -2.018e-01 -1.317e-01 -6.527e-02 / CHEB/ 2.804e+01 9.938e-02 6.385e-02 3.069e-02 / CHEB/ -1.336e-01 4.541e-02 2.946e-02 1.446e-02 / CHEB/ -1.085e-01 4.056e-02 2.556e-02 1.183e-02 / CHEB/ -6.410e-02 1.816e-03 1.744e-03 1.380e-03 / CHEB/ -3.481e-02 -1.127e-02 -6.768e-03 -2.811e-03 /

2580.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.0	-4.6	-0.3	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-4.9	-0.4	+1.6

Chebyshev(coeffs=[[-11.1862,-0.758656,-0.276824,-0.0653089],[18.93,0.455368,0.130726,0.0190033],[0.00805912,0.167548,0.0553276,0.00828114],[-0.0506321,0.0881573,0.036485,0.00888402],[-0.0535554,0.00411041,0.0117048,0.00417743],[-0.0380424,-0.0238592,-0.00275562,0.000577616]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.28
S298 (cal/mol*K) = 39.95
G298 (kcal/mol) = 46.38

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(67); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(67)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.119e+01 -7.587e-01 -2.768e-01 -6.531e-02 / CHEB/ 1.893e+01 4.554e-01 1.307e-01 1.900e-02 / CHEB/ 8.059e-03 1.675e-01 5.533e-02 8.281e-03 / CHEB/ -5.063e-02 8.816e-02 3.648e-02 8.884e-03 / CHEB/ -5.356e-02 4.110e-03 1.170e-02 4.177e-03 / CHEB/ -3.804e-02 -2.386e-02 -2.756e-03 5.776e-04 /

2581.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.7	-12.0	-4.6	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-35.8	-12.1	-4.6	-1.1

Chebyshev(coeffs=[[-28.0129,-0.119129,-0.0798104,-0.0415038],[33.4691,0.0531778,0.0354552,0.0182742],[-0.282557,0.0306798,0.0201904,0.0101644],[-0.153749,0.0256979,0.0168901,0.00848091],[-0.0739621,-0.000342561,8.68331e-05,0.000337335],[-0.0346298,-0.00774679,-0.00491193,-0.00229718]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 107.58
S298 (cal/mol*K) = 59.08
G298 (kcal/mol) = 89.97

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(426); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(426)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.801e+01 -1.191e-01 -7.981e-02 -4.150e-02 / CHEB/ 3.347e+01 5.318e-02 3.546e-02 1.827e-02 / CHEB/ -2.826e-01 3.068e-02 2.019e-02 1.016e-02 / CHEB/ -1.537e-01 2.570e-02 1.689e-02 8.481e-03 / CHEB/ -7.396e-02 -3.426e-04 8.683e-05 3.373e-04 / CHEB/ -3.463e-02 -7.747e-03 -4.912e-03 -2.297e-03 /

2582.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.3	-10.8	-4.2	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-31.4	-10.9	-4.3	-1.1

Chebyshev(coeffs=[[-23.7523,-0.194284,-0.126968,-0.0631126],[28.8752,0.0961716,0.0617392,0.0296436],[-0.0786715,0.043203,0.0282672,0.0140741],[-0.0938204,0.0392105,0.0248001,0.0115619],[-0.0592954,0.00182326,0.00170588,0.00132306],[-0.033095,-0.0107806,-0.00651731,-0.00274609]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 90.22
S298 (cal/mol*K) = 41.96
G298 (kcal/mol) = 77.72

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(427); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(427)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.375e+01 -1.943e-01 -1.270e-01 -6.311e-02 / CHEB/ 2.888e+01 9.617e-02 6.174e-02 2.964e-02 / CHEB/ -7.867e-02 4.320e-02 2.827e-02 1.407e-02 / CHEB/ -9.382e-02 3.921e-02 2.480e-02 1.156e-02 / CHEB/ -5.930e-02 1.823e-03 1.706e-03 1.323e-03 / CHEB/ -3.309e-02 -1.078e-02 -6.517e-03 -2.746e-03 /

2583.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.9	-8.5	-2.7	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-27.0	-8.6	-2.7	+0.0

Chebyshev(coeffs=[[-19.5469,-0.247593,-0.159048,-0.0765477],[25.8296,0.125578,0.0789288,0.0363252],[-0.0888619,0.0537132,0.0346171,0.0167749],[-0.094774,0.0478073,0.0294034,0.012934],[-0.0627456,0.00317052,0.00272182,0.00194016],[-0.0368489,-0.0127686,-0.00740543,-0.00282002]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.31
S298 (cal/mol*K) = 47.17
G298 (kcal/mol) = 67.26

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(428); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(428)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.955e+01 -2.476e-01 -1.590e-01 -7.655e-02 / CHEB/ 2.583e+01 1.256e-01 7.893e-02 3.633e-02 / CHEB/ -8.886e-02 5.371e-02 3.462e-02 1.677e-02 / CHEB/ -9.477e-02 4.781e-02 2.940e-02 1.293e-02 / CHEB/ -6.275e-02 3.171e-03 2.722e-03 1.940e-03 / CHEB/ -3.685e-02 -1.277e-02 -7.405e-03 -2.820e-03 /

2584.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.0	-13.3	-5.9	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-36.1	-13.3	-6.0	-2.5

Chebyshev(coeffs=[[-28.2839,-0.144906,-0.0963229,-0.0493932],[32.0918,0.0677328,0.0446567,0.0225493],[-0.0921331,0.0352722,0.0231044,0.0115327],[-0.0980056,0.0305954,0.0198644,0.00974642],[-0.0575016,0.000265378,0.000574368,0.000662445],[-0.0301283,-0.00894755,-0.00558393,-0.00252599]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 101.62
S298 (cal/mol*K) = 42.64
G298 (kcal/mol) = 88.92

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(429); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(429)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.828e+01 -1.449e-01 -9.632e-02 -4.939e-02 / CHEB/ 3.209e+01 6.773e-02 4.466e-02 2.255e-02 / CHEB/ -9.213e-02 3.527e-02 2.310e-02 1.153e-02 / CHEB/ -9.801e-02 3.060e-02 1.986e-02 9.746e-03 / CHEB/ -5.750e-02 2.654e-04 5.744e-04 6.624e-04 / CHEB/ -3.013e-02 -8.948e-03 -5.584e-03 -2.526e-03 /

2585.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.1	+1.3	+3.3	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-5.0	+0.8	+3.0	+4.1

Chebyshev(coeffs=[[2.36333,-1.35445,-0.378331,0.00412591],[7.24645,1.00087,0.126997,-0.0876023],[0.456481,0.122965,0.110839,0.0177669],[0.0445414,0.0746285,0.0365207,0.0162718],[-0.0331803,0.0364049,0.0171205,0.00602394],[-0.0415827,-0.00707849,0.00352793,0.00368076]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.98
S298 (cal/mol*K) = 3.53
G298 (kcal/mol) = -24.03

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(430); H(25), C7H11(430); C7H10(1)+H(25)(+M)=>C7H11(430)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.363e+00 -1.354e+00 -3.783e-01 4.126e-03 / CHEB/ 7.246e+00 1.001e+00 1.270e-01 -8.760e-02 / CHEB/ 4.565e-01 1.230e-01 1.108e-01 1.777e-02 / CHEB/ 4.454e-02 7.463e-02 3.652e-02 1.627e-02 / CHEB/ -3.318e-02 3.640e-02 1.712e-02 6.024e-03 / CHEB/ -4.158e-02 -7.078e-03 3.528e-03 3.681e-03 /

2586.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.4	-12.6	-5.8	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-34.5	-12.7	-5.8	-2.6

Chebyshev(coeffs=[[-26.829,-0.155746,-0.103181,-0.0525878],[30.7141,0.073845,0.0484533,0.0242483],[-0.211226,0.0372201,0.0243387,0.012111],[-0.133109,0.0326004,0.0210535,0.0102244],[-0.0699279,0.000551119,0.000796286,0.000804557],[-0.0350508,-0.00942574,-0.00584177,-0.00260343]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.89
S298 (cal/mol*K) = 49.61
G298 (kcal/mol) = 83.11

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(431); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(431)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.683e+01 -1.557e-01 -1.032e-01 -5.259e-02 / CHEB/ 3.071e+01 7.384e-02 4.845e-02 2.425e-02 / CHEB/ -2.112e-01 3.722e-02 2.434e-02 1.211e-02 / CHEB/ -1.331e-01 3.260e-02 2.105e-02 1.022e-02 / CHEB/ -6.993e-02 5.511e-04 7.963e-04 8.046e-04 / CHEB/ -3.505e-02 -9.426e-03 -5.842e-03 -2.603e-03 /

2587.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-1.1	+1.6	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-1.4	+1.4	+2.7

Chebyshev(coeffs=[[-2.90216,-1.05061,-0.518118,-0.135329],[11.4938,0.763048,0.332834,0.051532],[0.180529,0.140619,0.0903385,0.0353864],[-0.00907347,0.0713331,0.0320905,0.00773512],[-0.0480545,0.00591468,0.00688761,0.00517478],[-0.045663,-0.020465,-0.00519304,0.00306662]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -42.10
S298 (cal/mol*K) = 10.80
G298 (kcal/mol) = -45.31

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(432); H(25), C7H11(432); C7H10(1)+H(25)(+M)=>C7H11(432)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.902e+00 -1.051e+00 -5.181e-01 -1.353e-01 / CHEB/ 1.149e+01 7.630e-01 3.328e-01 5.153e-02 / CHEB/ 1.805e-01 1.406e-01 9.034e-02 3.539e-02 / CHEB/ -9.073e-03 7.133e-02 3.209e-02 7.735e-03 / CHEB/ -4.805e-02 5.915e-03 6.888e-03 5.175e-03 / CHEB/ -4.566e-02 -2.047e-02 -5.193e-03 3.067e-03 /

2588.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-40.6	-14.8	-6.6	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-40.7	-14.9	-6.6	-2.7

Chebyshev(coeffs=[[-32.6707,-0.0933361,-0.0630074,-0.0332089],[36.4391,0.0385622,0.025994,0.0136632],[-0.221688,0.0260643,0.0172599,0.00878779],[-0.135169,0.0206751,0.0137452,0.00704869],[-0.0656904,-0.000781004,-0.000296165,5.70316e-05],[-0.0304289,-0.0064555,-0.00415678,-0.00200534]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 108.18
S298 (cal/mol*K) = 55.30
G298 (kcal/mol) = 91.70

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H4(434); H(25), C3H7(433); C7H10(1)+H(25)(+M)=>C4H4(434)+C3H7(433)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.267e+01 -9.334e-02 -6.301e-02 -3.321e-02 / CHEB/ 3.644e+01 3.856e-02 2.599e-02 1.366e-02 / CHEB/ -2.217e-01 2.606e-02 1.726e-02 8.788e-03 / CHEB/ -1.352e-01 2.068e-02 1.375e-02 7.049e-03 / CHEB/ -6.569e-02 -7.810e-04 -2.962e-04 5.703e-05 / CHEB/ -3.043e-02 -6.455e-03 -4.157e-03 -2.005e-03 /

2589.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.4	-6.0	-2.2	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-17.0	-6.3	-2.3	-0.2

Chebyshev(coeffs=[[-9.38791,-0.691373,-0.22543,-0.0105631],[14.5003,0.505154,0.089445,-0.0456427],[0.527918,0.141095,0.0699655,0.00832133],[0.138567,-0.0192197,0.0213312,0.0186733],[0.0279055,-0.0157752,-0.00114103,0.00793556],[-0.000499058,-0.0015173,-0.00351422,0.000158712]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.74
S298 (cal/mol*K) = -36.88
G298 (kcal/mol) = 4.25

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(296); C5H6(62), C7H10(296); C2H4(115)+C5H6(62)(+M)=>C7H10(296)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.388e+00 -6.914e-01 -2.254e-01 -1.056e-02 / CHEB/ 1.450e+01 5.052e-01 8.944e-02 -4.564e-02 / CHEB/ 5.279e-01 1.411e-01 6.997e-02 8.321e-03 / CHEB/ 1.386e-01 -1.922e-02 2.133e-02 1.867e-02 / CHEB/ 2.791e-02 -1.578e-02 -1.141e-03 7.936e-03 / CHEB/ -4.991e-04 -1.517e-03 -3.514e-03 1.587e-04 /

2590.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.3	-3.3	-0.6	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-3.7	-0.8	+0.8

Chebyshev(coeffs=[[-3.24709,-0.88406,-0.135494,-0.000580998],[9.11982,0.580137,-0.0554527,-0.043793],[0.752175,0.217134,0.0701165,-0.0120647],[0.122782,0.00560661,0.0488802,0.00976109],[0.011015,-0.0265297,0.0126373,0.0136798],[-0.00101414,-0.0117359,-0.00435383,0.00561796]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.34
S298 (cal/mol*K) = -40.31
G298 (kcal/mol) = 2.67

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(297); C5H6(62), C7H10(297); C2H4(115)+C5H6(62)(+M)=>C7H10(297)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.247e+00 -8.841e-01 -1.355e-01 -5.810e-04 / CHEB/ 9.120e+00 5.801e-01 -5.545e-02 -4.379e-02 / CHEB/ 7.522e-01 2.171e-01 7.012e-02 -1.206e-02 / CHEB/ 1.228e-01 5.607e-03 4.888e-02 9.761e-03 / CHEB/ 1.102e-02 -2.653e-02 1.264e-02 1.368e-02 / CHEB/ -1.014e-03 -1.174e-02 -4.354e-03 5.618e-03 /

2591.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.9	-4.7	-1.6	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-4.9	-1.7	-0.1

Chebyshev(coeffs=[[-5.89902,-0.830574,-0.178627,0.00262151],[11.1232,0.574566,0.00405796,-0.0544393],[0.63361,0.182708,0.0733077,-0.00435178],[0.105069,-0.00669372,0.0389422,0.0150013],[-0.015334,-0.0217747,0.0059833,0.0122588],[-0.00818016,-0.00696351,-0.00469462,0.00333666]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.74
S298 (cal/mol*K) = -36.88
G298 (kcal/mol) = 4.25

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(298); C5H6(62), C7H10(298); C2H4(115)+C5H6(62)(+M)=>C7H10(298)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.899e+00 -8.306e-01 -1.786e-01 2.622e-03 / CHEB/ 1.112e+01 5.746e-01 4.058e-03 -5.444e-02 / CHEB/ 6.336e-01 1.827e-01 7.331e-02 -4.352e-03 / CHEB/ 1.051e-01 -6.694e-03 3.894e-02 1.500e-02 / CHEB/ -1.533e-02 -2.177e-02 5.983e-03 1.226e-02 / CHEB/ -8.180e-03 -6.964e-03 -4.695e-03 3.337e-03 /

2592.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-5.6	-2.5	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-14.5	-5.9	-2.6	-0.8

Chebyshev(coeffs=[[-6.8388,-0.825897,-0.1783,0.00244761],[11.2078,0.578772,0.00641994,-0.0543436],[0.648761,0.181795,0.0746952,-0.0036666],[0.131727,-0.00890772,0.0385744,0.0156496],[0.0200302,-0.0231995,0.00534312,0.0124145],[-0.00396907,-0.00688893,-0.00507245,0.00314481]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.34
S298 (cal/mol*K) = -40.31
G298 (kcal/mol) = 2.67

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(299); C5H6(62), C7H10(299); C2H4(115)+C5H6(62)(+M)=>C7H10(299)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.839e+00 -8.259e-01 -1.783e-01 2.448e-03 / CHEB/ 1.121e+01 5.788e-01 6.420e-03 -5.434e-02 / CHEB/ 6.488e-01 1.818e-01 7.470e-02 -3.667e-03 / CHEB/ 1.317e-01 -8.908e-03 3.857e-02 1.565e-02 / CHEB/ 2.003e-02 -2.320e-02 5.343e-03 1.241e-02 / CHEB/ -3.969e-03 -6.889e-03 -5.072e-03 3.145e-03 /

2593.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-6.0	-3.1	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-14.2	-6.3	-3.3	-1.7

Chebyshev(coeffs=[[-6.49266,-0.863745,-0.155176,0.00168442],[10.0094,0.585099,-0.028653,-0.0496721],[0.682757,0.200163,0.0725005,-0.00871863],[0.120098,-0.00144246,0.0445867,0.0125448],[0.0106544,-0.0251041,0.00927462,0.0133461],[-0.00347176,-0.00953068,-0.00477301,0.00455014]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.54
S298 (cal/mol*K) = -38.53
G298 (kcal/mol) = 21.02

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(300); C5H6(62), C7H10(300); C2H4(115)+C5H6(62)(+M)=>C7H10(300)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.493e+00 -8.637e-01 -1.552e-01 1.684e-03 / CHEB/ 1.001e+01 5.851e-01 -2.865e-02 -4.967e-02 / CHEB/ 6.828e-01 2.002e-01 7.250e-02 -8.719e-03 / CHEB/ 1.201e-01 -1.442e-03 4.459e-02 1.254e-02 / CHEB/ 1.065e-02 -2.510e-02 9.275e-03 1.335e-02 / CHEB/ -3.472e-03 -9.531e-03 -4.773e-03 4.550e-03 /

2594.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-6.0	-3.1	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-14.2	-6.3	-3.3	-1.7

H298 (kcal/mol) = 9.13
S298 (cal/mol*K) = -35.13
G298 (kcal/mol) = 19.60

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(301); C5H6(62), C7H10(301); C2H4(115)+C5H6(62)(+M)=>C7H10(301)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.493e+00 -8.637e-01 -1.552e-01 1.684e-03 / CHEB/ 1.001e+01 5.851e-01 -2.865e-02 -4.967e-02 / CHEB/ 6.828e-01 2.002e-01 7.250e-02 -8.719e-03 / CHEB/ 1.201e-01 -1.442e-03 4.459e-02 1.254e-02 / CHEB/ 1.065e-02 -2.510e-02 9.275e-03 1.335e-02 / CHEB/ -3.472e-03 -9.531e-03 -4.773e-03 4.550e-03 /

2595.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-5.8	-1.6	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-18.4	-6.0	-1.7	+0.5

Chebyshev(coeffs=[[-10.9638,-0.568307,-0.234313,-0.0313774],[17.1058,0.416389,0.125236,-0.0215598],[0.296387,0.11463,0.0607366,0.0142962],[0.0679823,-0.0195485,0.0106944,0.0163912],[0.00142634,-0.00870914,-0.00198099,0.00404317],[-0.014792,0.00104938,-0.00166522,-0.000964593]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.95
S298 (cal/mol*K) = -0.82
G298 (kcal/mol) = 51.19

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(81); C2H4(115), CH2(137); C2H4(115)+C5H6(62)(+M)=>CH2(137)+C6H8(81)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.096e+01 -5.683e-01 -2.343e-01 -3.138e-02 / CHEB/ 1.711e+01 4.164e-01 1.252e-01 -2.156e-02 / CHEB/ 2.964e-01 1.146e-01 6.074e-02 1.430e-02 / CHEB/ 6.798e-02 -1.955e-02 1.069e-02 1.639e-02 / CHEB/ 1.426e-03 -8.709e-03 -1.981e-03 4.043e-03 / CHEB/ -1.479e-02 1.049e-03 -1.665e-03 -9.646e-04 /

2596.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+1.1	+2.3	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-2.5	+0.6	+2.0	+2.6

Chebyshev(coeffs=[[4.8916,-0.886065,-0.0515698,0.00893599],[3.22539,0.299517,-0.154586,-0.036272],[0.539296,0.281132,0.00841578,-0.0170958],[0.0111769,0.102457,0.0411853,-0.00581501],[-0.0328734,0.00599793,0.0332281,0.00190331],[-0.00613777,-0.0188903,0.0112264,0.00480161]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.35
S298 (cal/mol*K) = -41.73
G298 (kcal/mol) = -47.92

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(302); C5H6(62), C7H10(302); C2H4(115)+C5H6(62)(+M)=>C7H10(302)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.892e+00 -8.861e-01 -5.157e-02 8.936e-03 / CHEB/ 3.225e+00 2.995e-01 -1.546e-01 -3.627e-02 / CHEB/ 5.393e-01 2.811e-01 8.416e-03 -1.710e-02 / CHEB/ 1.118e-02 1.025e-01 4.119e-02 -5.815e-03 / CHEB/ -3.287e-02 5.998e-03 3.323e-02 1.903e-03 / CHEB/ -6.138e-03 -1.889e-02 1.123e-02 4.802e-03 /

2597.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+1.1	+2.3	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-2.5	+0.6	+2.0	+2.6

H298 (kcal/mol) = -57.66
S298 (cal/mol*K) = -40.90
G298 (kcal/mol) = -45.48

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(303); C5H6(62), C7H10(303); C2H4(115)+C5H6(62)(+M)=>C7H10(303)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.892e+00 -8.861e-01 -5.157e-02 8.936e-03 / CHEB/ 3.225e+00 2.995e-01 -1.546e-01 -3.627e-02 / CHEB/ 5.393e-01 2.811e-01 8.416e-03 -1.710e-02 / CHEB/ 1.118e-02 1.025e-01 4.119e-02 -5.815e-03 / CHEB/ -3.287e-02 5.998e-03 3.323e-02 1.903e-03 / CHEB/ -6.138e-03 -1.889e-02 1.123e-02 4.802e-03 /

2598.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.2	-13.4	-5.8	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-35.4	-13.4	-5.8	-1.9

Chebyshev(coeffs=[[-27.2298,-0.24549,-0.142614,-0.0551213],[30.8131,0.18031,0.0972214,0.0301864],[0.36842,0.0563732,0.0343522,0.0147468],[0.0883462,-0.012373,-0.00270686,0.00326115],[0.016285,6.91381e-05,-0.000256129,-0.000247491],[9.04187e-05,0.001144,0.0001199,-0.000452057]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.18
S298 (cal/mol*K) = 4.12
G298 (kcal/mol) = 86.96

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C4H6(304); C2H4(115), C3H4(73); C2H4(115)+C5H6(62)(+M)=>C3H4(73)+C4H6(304)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.723e+01 -2.455e-01 -1.426e-01 -5.512e-02 / CHEB/ 3.081e+01 1.803e-01 9.722e-02 3.019e-02 / CHEB/ 3.684e-01 5.637e-02 3.435e-02 1.475e-02 / CHEB/ 8.835e-02 -1.237e-02 -2.707e-03 3.261e-03 / CHEB/ 1.628e-02 6.914e-05 -2.561e-04 -2.475e-04 / CHEB/ 9.042e-05 1.144e-03 1.199e-04 -4.521e-04 /

2599.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.6	-13.8	-6.3	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-35.7	-13.9	-6.3	-2.4

Chebyshev(coeffs=[[-27.6077,-0.247331,-0.143466,-0.0552495],[30.6925,0.181635,0.0977097,0.0301179],[0.3684,0.0567012,0.034525,0.0147935],[0.0877672,-0.0124033,-0.002657,0.00333826],[0.0155515,7.71199e-05,-0.000252036,-0.000242148],[-6.05471e-05,0.00115207,0.000118603,-0.000456785]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.60
S298 (cal/mol*K) = 1.09
G298 (kcal/mol) = 87.27

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(305); C2H4(115), CH2(T)(82); C2H4(115)+C5H6(62)(+M)=>CH2(T)(82)+C6H8(305)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.761e+01 -2.473e-01 -1.435e-01 -5.525e-02 / CHEB/ 3.069e+01 1.816e-01 9.771e-02 3.012e-02 / CHEB/ 3.684e-01 5.670e-02 3.453e-02 1.479e-02 / CHEB/ 8.777e-02 -1.240e-02 -2.657e-03 3.338e-03 / CHEB/ 1.555e-02 7.712e-05 -2.520e-04 -2.421e-04 / CHEB/ -6.055e-05 1.152e-03 1.186e-04 -4.568e-04 /

2600.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-3.3	-0.5	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-11.4	-3.6	-0.6	+0.9

Chebyshev(coeffs=[[-3.76178,-0.866127,-0.159401,0.00229046],[9.95592,0.57724,-0.0263019,-0.050725],[0.585272,0.199015,0.0695441,-0.00896209],[0.0985701,0.000839166,0.0439497,0.0118909],[0.00381442,-0.023428,0.00997818,0.0129231],[-0.00578768,-0.00937879,-0.00421456,0.00464872]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.05
S298 (cal/mol*K) = -29.17
G298 (kcal/mol) = 2.64

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(306); C5H6(62), C7H10(306); C2H4(115)+C5H6(62)(+M)=>C7H10(306)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.762e+00 -8.661e-01 -1.594e-01 2.290e-03 / CHEB/ 9.956e+00 5.772e-01 -2.630e-02 -5.072e-02 / CHEB/ 5.853e-01 1.990e-01 6.954e-02 -8.962e-03 / CHEB/ 9.857e-02 8.392e-04 4.395e-02 1.189e-02 / CHEB/ 3.814e-03 -2.343e-02 9.978e-03 1.292e-02 / CHEB/ -5.788e-03 -9.379e-03 -4.215e-03 4.649e-03 /

2603.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+3.4	+4.0	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+2.6	+3.6	+3.6

Chebyshev(coeffs=[[5.98994,-2.03245,-0.246884,0.0271635],[3.92957,1.20244,-0.124064,-0.0836223],[0.304521,0.508029,0.114539,-0.0155399],[-0.29847,0.0461896,0.0791185,0.014523],[-0.212097,-0.0668553,0.0203261,0.0118694],[-0.0735275,-0.0382182,-0.00769959,0.0026713]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.21
S298 (cal/mol*K) = -8.84
G298 (kcal/mol) = -4.57

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H7(363); C2H4(115), C2H3(100); C2H4(115)+C5H6(62)(+M)=>C2H3(100)+C5H7(363)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.990e+00 -2.032e+00 -2.469e-01 2.716e-02 / CHEB/ 3.930e+00 1.202e+00 -1.241e-01 -8.362e-02 / CHEB/ 3.045e-01 5.080e-01 1.145e-01 -1.554e-02 / CHEB/ -2.985e-01 4.619e-02 7.912e-02 1.452e-02 / CHEB/ -2.121e-01 -6.686e-02 2.033e-02 1.187e-02 / CHEB/ -7.353e-02 -3.822e-02 -7.700e-03 2.671e-03 /

2604.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.2	+3.8	+4.4	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-1.4	+2.9	+4.0	+3.9

Chebyshev(coeffs=[[6.67139,-2.10841,-0.226627,0.0324014],[3.59293,1.13333,-0.154838,-0.0782055],[0.322758,0.530617,0.0924739,-0.0213774],[-0.266864,0.0808925,0.080667,0.0119205],[-0.216601,-0.0533942,0.0273509,0.0118246],[-0.0780647,-0.0394751,-0.00437652,0.00245338]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.40
S298 (cal/mol*K) = -18.56
G298 (kcal/mol) = -12.87

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(364); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(364)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.671e+00 -2.108e+00 -2.266e-01 3.240e-02 / CHEB/ 3.593e+00 1.133e+00 -1.548e-01 -7.821e-02 / CHEB/ 3.228e-01 5.306e-01 9.247e-02 -2.138e-02 / CHEB/ -2.669e-01 8.089e-02 8.067e-02 1.192e-02 / CHEB/ -2.166e-01 -5.339e-02 2.735e-02 1.182e-02 / CHEB/ -7.806e-02 -3.948e-02 -4.377e-03 2.453e-03 /

2605.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	-0.5	+0.7	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-1.2	+0.4	+0.7

Chebyshev(coeffs=[[1.03899,-1.92355,-0.285534,0.0193064],[5.77774,1.25527,-0.0607659,-0.086106],[0.445925,0.460071,0.132258,-0.00712939],[-0.24899,0.00873517,0.0723155,0.0162905],[-0.182394,-0.0750643,0.0112024,0.0126264],[-0.0596518,-0.0337316,-0.0110239,0.00295298]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.19
S298 (cal/mol*K) = -15.59
G298 (kcal/mol) = 10.83

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(365); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(365)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.039e+00 -1.924e+00 -2.855e-01 1.931e-02 / CHEB/ 5.778e+00 1.255e+00 -6.077e-02 -8.611e-02 / CHEB/ 4.459e-01 4.601e-01 1.323e-01 -7.129e-03 / CHEB/ -2.490e-01 8.735e-03 7.232e-02 1.629e-02 / CHEB/ -1.824e-01 -7.506e-02 1.120e-02 1.263e-02 / CHEB/ -5.965e-02 -3.373e-02 -1.102e-02 2.953e-03 /

2606.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	+0.7	+1.6	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-5.1	-0.2	+1.1	+1.3

Chebyshev(coeffs=[[3.03837,-2.04937,-0.242107,0.0283135],[4.4057,1.18866,-0.131832,-0.0826289],[0.434237,0.513976,0.110027,-0.0169173],[-0.255892,0.0534254,0.0797768,0.014044],[-0.200561,-0.0644815,0.0218733,0.0118353],[-0.0704343,-0.0386876,-0.00703195,0.00259535]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.42
S298 (cal/mol*K) = -22.19
G298 (kcal/mol) = -1.81

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(366); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(366)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.038e+00 -2.049e+00 -2.421e-01 2.831e-02 / CHEB/ 4.406e+00 1.189e+00 -1.318e-01 -8.263e-02 / CHEB/ 4.342e-01 5.140e-01 1.100e-01 -1.692e-02 / CHEB/ -2.559e-01 5.343e-02 7.978e-02 1.404e-02 / CHEB/ -2.006e-01 -6.448e-02 2.187e-02 1.184e-02 / CHEB/ -7.043e-02 -3.869e-02 -7.032e-03 2.595e-03 /

2607.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-4.4	-2.4	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-4.9	-2.6	-1.8

Chebyshev(coeffs=[[-4.91322,-1.61466,-0.379205,-0.00435583],[9.15733,1.16848,0.1032,-0.0714356],[0.297338,0.356469,0.134849,0.00381155],[-0.176571,-0.0343856,0.049043,0.0217732],[-0.142268,-0.0726108,-0.00525823,0.0124869],[-0.0451038,-0.0219626,-0.0133826,0.000324669]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.19
S298 (cal/mol*K) = -18.29
G298 (kcal/mol) = 28.64

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(367); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(367)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.913e+00 -1.615e+00 -3.792e-01 -4.356e-03 / CHEB/ 9.157e+00 1.168e+00 1.032e-01 -7.144e-02 / CHEB/ 2.973e-01 3.565e-01 1.348e-01 3.812e-03 / CHEB/ -1.766e-01 -3.439e-02 4.904e-02 2.177e-02 / CHEB/ -1.423e-01 -7.261e-02 -5.258e-03 1.249e-02 / CHEB/ -4.510e-02 -2.196e-02 -1.338e-02 3.247e-04 /

2608.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-4.4	-2.4	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-4.9	-2.6	-1.8

H298 (kcal/mol) = 23.19
S298 (cal/mol*K) = -18.29
G298 (kcal/mol) = 28.64

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(368); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(368)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.913e+00 -1.615e+00 -3.792e-01 -4.356e-03 / CHEB/ 9.157e+00 1.168e+00 1.032e-01 -7.144e-02 / CHEB/ 2.973e-01 3.565e-01 1.348e-01 3.812e-03 / CHEB/ -1.766e-01 -3.439e-02 4.904e-02 2.177e-02 / CHEB/ -1.423e-01 -7.261e-02 -5.258e-03 1.249e-02 / CHEB/ -4.510e-02 -2.196e-02 -1.338e-02 3.247e-04 /

2609.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.9	-3.5	-1.7	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-4.0	-2.0	-1.3

Chebyshev(coeffs=[[-3.39201,-1.72252,-0.353327,0.00329625],[8.1341,1.21992,0.0550268,-0.0769631],[0.361014,0.386933,0.135889,0.000145425],[-0.192507,-0.0252208,0.0576225,0.019966],[-0.153957,-0.0751488,-0.000661601,0.0133128],[-0.0487324,-0.0256411,-0.0133717,0.00144136]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.49
S298 (cal/mol*K) = -18.29
G298 (kcal/mol) = 23.94

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(369); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(369)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.392e+00 -1.723e+00 -3.533e-01 3.296e-03 / CHEB/ 8.134e+00 1.220e+00 5.503e-02 -7.696e-02 / CHEB/ 3.610e-01 3.869e-01 1.359e-01 1.454e-04 / CHEB/ -1.925e-01 -2.522e-02 5.762e-02 1.997e-02 / CHEB/ -1.540e-01 -7.515e-02 -6.616e-04 1.331e-02 / CHEB/ -4.873e-02 -2.564e-02 -1.337e-02 1.441e-03 /

2610.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-2.9	-1.0	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-3.4	-1.2	-0.5

Chebyshev(coeffs=[[-3.08966,-1.67751,-0.364944,8.62673e-05],[8.66337,1.20011,0.0761533,-0.0746949],[0.35439,0.373721,0.135624,0.00160265],[-0.179106,-0.0295209,0.0540428,0.0207923],[-0.146933,-0.0742142,-0.00269233,0.0130566],[-0.0464446,-0.024072,-0.0134476,0.000971634]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.69
S298 (cal/mol*K) = -18.71
G298 (kcal/mol) = 26.26

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(370); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(370)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.090e+00 -1.678e+00 -3.649e-01 8.627e-05 / CHEB/ 8.663e+00 1.200e+00 7.615e-02 -7.469e-02 / CHEB/ 3.544e-01 3.737e-01 1.356e-01 1.603e-03 / CHEB/ -1.791e-01 -2.952e-02 5.404e-02 2.079e-02 / CHEB/ -1.469e-01 -7.421e-02 -2.692e-03 1.306e-02 / CHEB/ -4.644e-02 -2.407e-02 -1.345e-02 9.716e-04 /

2611.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.5	+3.5	+3.7	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-1.1	+2.4	+3.1	+2.8

Chebyshev(coeffs=[[6.79935,-2.20589,-0.211406,0.0392535],[2.695,1.01392,-0.181089,-0.0691495],[0.0954515,0.523398,0.0625314,-0.025809],[-0.301222,0.11568,0.0747704,0.00764977],[-0.224904,-0.0297918,0.033521,0.0113494],[-0.0907152,-0.0349422,0.000506828,0.00271302]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -42.77
S298 (cal/mol*K) = -39.97
G298 (kcal/mol) = -30.86

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(371); C5H6(62), C7H10(371); C2H4(115)+C5H6(62)(+M)=>C7H10(371)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.799e+00 -2.206e+00 -2.114e-01 3.925e-02 / CHEB/ 2.695e+00 1.014e+00 -1.811e-01 -6.915e-02 / CHEB/ 9.545e-02 5.234e-01 6.253e-02 -2.581e-02 / CHEB/ -3.012e-01 1.157e-01 7.477e-02 7.650e-03 / CHEB/ -2.249e-01 -2.979e-02 3.352e-02 1.135e-02 / CHEB/ -9.072e-02 -3.494e-02 5.068e-04 2.713e-03 /

2612.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+3.0	+3.2	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+2.0	+2.6	+2.4

Chebyshev(coeffs=[[6.46957,-2.19829,-0.211443,0.0387537],[2.60559,1.02521,-0.179415,-0.0698677],[0.0579441,0.527352,0.0643965,-0.0257787],[-0.288587,0.114684,0.075666,0.00793112],[-0.191257,-0.031921,0.033612,0.0115237],[-0.0843247,-0.0359145,0.000240911,0.00274315]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -43.04
S298 (cal/mol*K) = -43.30
G298 (kcal/mol) = -30.14

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(372); C5H6(62), C7H10(372); C2H4(115)+C5H6(62)(+M)=>C7H10(372)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.470e+00 -2.198e+00 -2.114e-01 3.875e-02 / CHEB/ 2.606e+00 1.025e+00 -1.794e-01 -6.987e-02 / CHEB/ 5.794e-02 5.274e-01 6.440e-02 -2.578e-02 / CHEB/ -2.886e-01 1.147e-01 7.567e-02 7.931e-03 / CHEB/ -1.913e-01 -3.192e-02 3.361e-02 1.152e-02 / CHEB/ -8.432e-02 -3.591e-02 2.409e-04 2.743e-03 /

2613.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	+1.6	+2.4	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+0.8	+1.9	+2.1

Chebyshev(coeffs=[[4.229,-2.06472,-0.235592,0.029452],[4.03065,1.17868,-0.139083,-0.0815583],[0.360187,0.523343,0.105366,-0.0184957],[-0.244682,0.061076,0.0809573,0.0136666],[-0.16843,-0.0637109,0.0238551,0.0120517],[-0.0672559,-0.0400556,-0.00645463,0.00256272]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.28
S298 (cal/mol*K) = -36.18
G298 (kcal/mol) = -16.50

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(373); C5H6(62), C7H10(373); C2H4(115)+C5H6(62)(+M)=>C7H10(373)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.229e+00 -2.065e+00 -2.356e-01 2.945e-02 / CHEB/ 4.031e+00 1.179e+00 -1.391e-01 -8.156e-02 / CHEB/ 3.602e-01 5.233e-01 1.054e-01 -1.850e-02 / CHEB/ -2.447e-01 6.108e-02 8.096e-02 1.367e-02 / CHEB/ -1.684e-01 -6.371e-02 2.386e-02 1.205e-02 / CHEB/ -6.726e-02 -4.006e-02 -6.455e-03 2.563e-03 /

2614.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-4.5	-3.0	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-11.4	-5.1	-3.2	-2.7

Chebyshev(coeffs=[[-3.47488,-1.84066,-0.313183,0.012703],[6.79754,1.26426,-0.010375,-0.0835168],[0.407397,0.428771,0.136715,-0.00325299],[-0.191667,-0.0115917,0.066928,0.0179159],[-0.114048,-0.0795361,0.00544934,0.0134885],[-0.0436979,-0.0308209,-0.0128243,0.00256641]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.28
S298 (cal/mol*K) = -38.88
G298 (kcal/mol) = 1.31

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(374); C5H6(62), C7H10(374); C2H4(115)+C5H6(62)(+M)=>C7H10(374)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.475e+00 -1.841e+00 -3.132e-01 1.270e-02 / CHEB/ 6.798e+00 1.264e+00 -1.038e-02 -8.352e-02 / CHEB/ 4.074e-01 4.288e-01 1.367e-01 -3.253e-03 / CHEB/ -1.917e-01 -1.159e-02 6.693e-02 1.792e-02 / CHEB/ -1.140e-01 -7.954e-02 5.449e-03 1.349e-02 / CHEB/ -4.370e-02 -3.082e-02 -1.282e-02 2.566e-03 /

2615.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-2.9	-1.7	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-3.6	-2.0	-1.7

Chebyshev(coeffs=[[-1.50815,-1.90274,-0.293648,0.0176324],[5.95222,1.25795,-0.0472896,-0.0856556],[0.420199,0.451048,0.133447,-0.00597557],[-0.248692,0.0035405,0.0709516,0.0165672],[-0.181128,-0.0756344,0.00967648,0.0128225],[-0.0588274,-0.0328087,-0.011465,0.00289733]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.58
S298 (cal/mol*K) = -35.48
G298 (kcal/mol) = -6.01

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(375); C5H6(62), C7H10(375); C2H4(115)+C5H6(62)(+M)=>C7H10(375)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.508e+00 -1.903e+00 -2.936e-01 1.763e-02 / CHEB/ 5.952e+00 1.258e+00 -4.729e-02 -8.566e-02 / CHEB/ 4.202e-01 4.510e-01 1.334e-01 -5.976e-03 / CHEB/ -2.487e-01 3.540e-03 7.095e-02 1.657e-02 / CHEB/ -1.811e-01 -7.563e-02 9.676e-03 1.282e-02 / CHEB/ -5.883e-02 -3.281e-02 -1.147e-02 2.897e-03 /

2616.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+2.0	+2.8	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+1.1	+2.4	+2.4

Chebyshev(coeffs=[[4.48334,-2.06192,-0.238797,0.0291665],[4.1801,1.17762,-0.13722,-0.0818151],[0.39946,0.517865,0.106486,-0.017905],[-0.262266,0.0589209,0.0801196,0.0136458],[-0.204447,-0.0624926,0.0230222,0.0118177],[-0.0726213,-0.0389549,-0.00650996,0.00254708]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.08
S298 (cal/mol*K) = -33.31
G298 (kcal/mol) = -15.16

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(376); C5H6(62), C7H10(376); C2H4(115)+C5H6(62)(+M)=>C7H10(376)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.483e+00 -2.062e+00 -2.388e-01 2.917e-02 / CHEB/ 4.180e+00 1.178e+00 -1.372e-01 -8.182e-02 / CHEB/ 3.995e-01 5.179e-01 1.065e-01 -1.791e-02 / CHEB/ -2.623e-01 5.892e-02 8.012e-02 1.365e-02 / CHEB/ -2.044e-01 -6.249e-02 2.302e-02 1.182e-02 / CHEB/ -7.262e-02 -3.895e-02 -6.510e-03 2.547e-03 /

2617.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+2.0	+2.3	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-2.7	+1.0	+1.7	+1.5

Chebyshev(coeffs=[[5.23821,-2.16274,-0.218071,0.0361527],[2.83949,1.06889,-0.170836,-0.0734699],[0.142479,0.52958,0.075577,-0.0241714],[-0.300897,0.101389,0.0779776,0.00956858],[-0.224889,-0.0407358,0.0311485,0.011606],[-0.0877177,-0.0375978,-0.00167546,0.00254553]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.93
S298 (cal/mol*K) = -35.16
G298 (kcal/mol) = -19.45

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(377); C5H6(62), C7H10(377); C2H4(115)+C5H6(62)(+M)=>C7H10(377)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.238e+00 -2.163e+00 -2.181e-01 3.615e-02 / CHEB/ 2.839e+00 1.069e+00 -1.708e-01 -7.347e-02 / CHEB/ 1.425e-01 5.296e-01 7.558e-02 -2.417e-02 / CHEB/ -3.009e-01 1.014e-01 7.798e-02 9.569e-03 / CHEB/ -2.249e-01 -4.074e-02 3.115e-02 1.161e-02 / CHEB/ -8.772e-02 -3.760e-02 -1.675e-03 2.546e-03 /

2618.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	-2.4	-1.4	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-8.3	-3.1	-1.8	-1.6

Chebyshev(coeffs=[[-0.175028,-2.0157,-0.25198,0.0260197],[4.6865,1.21476,-0.115779,-0.0844756],[0.442383,0.501455,0.118636,-0.0141436],[-0.261005,0.0393051,0.0782763,0.0149293],[-0.197064,-0.0688699,0.018814,0.0119218],[-0.0674265,-0.0376552,-0.00832048,0.0027524]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.93
S298 (cal/mol*K) = -37.86
G298 (kcal/mol) = -1.65

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(378); C5H6(62), C7H10(378); C2H4(115)+C5H6(62)(+M)=>C7H10(378)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.750e-01 -2.016e+00 -2.520e-01 2.602e-02 / CHEB/ 4.686e+00 1.215e+00 -1.158e-01 -8.448e-02 / CHEB/ 4.424e-01 5.015e-01 1.186e-01 -1.414e-02 / CHEB/ -2.610e-01 3.931e-02 7.828e-02 1.493e-02 / CHEB/ -1.971e-01 -6.887e-02 1.881e-02 1.192e-02 / CHEB/ -6.743e-02 -3.766e-02 -8.320e-03 2.752e-03 /

2619.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	-1.9	-1.1	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-2.8	-1.5	-1.4

Chebyshev(coeffs=[[0.368162,-2.02847,-0.24806,0.0268928],[4.45296,1.20549,-0.122152,-0.0838372],[0.413595,0.506525,0.115548,-0.0152105],[-0.267217,0.0445269,0.0789343,0.0146256],[-0.201129,-0.0673632,0.0199647,0.0118799],[-0.0694582,-0.0380925,-0.00785051,0.00269031]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -35.94
G298 (kcal/mol) = -3.82

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(379); C5H6(62), C7H10(379); C2H4(115)+C5H6(62)(+M)=>C7H10(379)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.682e-01 -2.028e+00 -2.481e-01 2.689e-02 / CHEB/ 4.453e+00 1.205e+00 -1.222e-01 -8.384e-02 / CHEB/ 4.136e-01 5.065e-01 1.155e-01 -1.521e-02 / CHEB/ -2.672e-01 4.453e-02 7.893e-02 1.463e-02 / CHEB/ -2.011e-01 -6.736e-02 1.996e-02 1.188e-02 / CHEB/ -6.946e-02 -3.809e-02 -7.851e-03 2.690e-03 /

2620.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.3	+1.7	+1.9	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-2.9	+0.7	+1.4	+1.1

Chebyshev(coeffs=[[4.95532,-2.13763,-0.22243,0.0343808],[2.76953,1.09884,-0.163857,-0.0758029],[0.128692,0.530096,0.0833746,-0.0229252],[-0.313978,0.0916604,0.079289,0.0106745],[-0.228452,-0.0468912,0.0294159,0.0116981],[-0.0870002,-0.0385868,-0.00295017,0.00248296]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -29.18
S298 (cal/mol*K) = -32.39
G298 (kcal/mol) = -19.53

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(380); C5H6(62), C7H10(380); C2H4(115)+C5H6(62)(+M)=>C7H10(380)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.955e+00 -2.138e+00 -2.224e-01 3.438e-02 / CHEB/ 2.770e+00 1.099e+00 -1.639e-01 -7.580e-02 / CHEB/ 1.287e-01 5.301e-01 8.337e-02 -2.293e-02 / CHEB/ -3.140e-01 9.166e-02 7.929e-02 1.067e-02 / CHEB/ -2.285e-01 -4.689e-02 2.942e-02 1.170e-02 / CHEB/ -8.700e-02 -3.859e-02 -2.950e-03 2.483e-03 /

2621.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.7	+1.1	+1.2	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+0.0	+0.6	+0.3

Chebyshev(coeffs=[[4.56769,-2.21881,-0.208302,0.0402577],[2.46764,0.998119,-0.183524,-0.0676613],[0.0442976,0.523117,0.0585759,-0.0263682],[-0.306235,0.121381,0.0739156,0.00699744],[-0.22357,-0.0258519,0.0344477,0.0113078],[-0.0908932,-0.0340399,0.00127403,0.00280935]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -53.57
S298 (cal/mol*K) = -48.68
G298 (kcal/mol) = -39.06

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(381); C5H6(62), C7H10(381); C2H4(115)+C5H6(62)(+M)=>C7H10(381)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.568e+00 -2.219e+00 -2.083e-01 4.026e-02 / CHEB/ 2.468e+00 9.981e-01 -1.835e-01 -6.766e-02 / CHEB/ 4.430e-02 5.231e-01 5.858e-02 -2.637e-02 / CHEB/ -3.062e-01 1.214e-01 7.392e-02 6.997e-03 / CHEB/ -2.236e-01 -2.585e-02 3.445e-02 1.131e-02 / CHEB/ -9.089e-02 -3.404e-02 1.274e-03 2.809e-03 /

2622.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	-1.8	-0.9	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-2.6	-1.4	-1.2

Chebyshev(coeffs=[[0.701361,-2.04575,-0.241578,0.0280835],[4.16215,1.19372,-0.131231,-0.0827998],[0.4946,0.514511,0.11136,-0.0167631],[-0.232222,0.0520482,0.0801772,0.0142559],[-0.250495,-0.0652207,0.0213808,0.0118713],[-0.0520536,-0.0388901,-0.00715029,0.00259905]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.28
S298 (cal/mol*K) = -38.88
G298 (kcal/mol) = 1.31

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(382); C5H6(62), C7H10(382); C2H4(115)+C5H6(62)(+M)=>C7H10(382)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.014e-01 -2.046e+00 -2.416e-01 2.808e-02 / CHEB/ 4.162e+00 1.194e+00 -1.312e-01 -8.280e-02 / CHEB/ 4.946e-01 5.145e-01 1.114e-01 -1.676e-02 / CHEB/ -2.322e-01 5.205e-02 8.018e-02 1.426e-02 / CHEB/ -2.505e-01 -6.522e-02 2.138e-02 1.187e-02 / CHEB/ -5.205e-02 -3.889e-02 -7.150e-03 2.599e-03 /

2623.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	-1.6	-0.7	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-2.4	-1.1	-1.1

Chebyshev(coeffs=[[0.821041,-2.03553,-0.245986,0.0273733],[4.32589,1.20003,-0.125525,-0.0834506],[0.396894,0.509169,0.113742,-0.0157943],[-0.270555,0.0474899,0.0792541,0.0144409],[-0.203331,-0.0664489,0.0206073,0.011862],[-0.0706044,-0.0383122,-0.00758095,0.00265679]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.38
S298 (cal/mol*K) = -35.90
G298 (kcal/mol) = -3.68

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(383); C5H6(62), C7H10(383); C2H4(115)+C5H6(62)(+M)=>C7H10(383)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.210e-01 -2.036e+00 -2.460e-01 2.737e-02 / CHEB/ 4.326e+00 1.200e+00 -1.255e-01 -8.345e-02 / CHEB/ 3.969e-01 5.092e-01 1.137e-01 -1.579e-02 / CHEB/ -2.706e-01 4.749e-02 7.925e-02 1.444e-02 / CHEB/ -2.033e-01 -6.645e-02 2.061e-02 1.186e-02 / CHEB/ -7.060e-02 -3.831e-02 -7.581e-03 2.657e-03 /

2624.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+0.9	+1.5	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-3.4	-0.1	+1.1	+1.6

Chebyshev(coeffs=[[4.51571,-2.12619,-0.187409,0.0410623],[2.90251,1.15755,-0.132908,-0.0663779],[0.317433,0.632782,0.100481,-0.0245812],[-0.1153,0.189995,0.0977105,0.00615495],[-0.0784059,0.0158305,0.0437295,0.00768694],[0.0156032,-0.0105093,0.00270832,-0.00156018]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.58
S298 (cal/mol*K) = -43.48
G298 (kcal/mol) = -31.62

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(384); C5H6(62), C7H10(384); C2H4(115)+C5H6(62)(+M)=>C7H10(384)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.516e+00 -2.126e+00 -1.874e-01 4.106e-02 / CHEB/ 2.903e+00 1.158e+00 -1.329e-01 -6.638e-02 / CHEB/ 3.174e-01 6.328e-01 1.005e-01 -2.458e-02 / CHEB/ -1.153e-01 1.900e-01 9.771e-02 6.155e-03 / CHEB/ -7.841e-02 1.583e-02 4.373e-02 7.687e-03 / CHEB/ 1.560e-02 -1.051e-02 2.708e-03 -1.560e-03 /

2625.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	-0.9	-0.2	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-6.3	-1.7	-0.6	-0.6

Chebyshev(coeffs=[[1.75075,-2.06947,-0.236898,0.02968],[3.94724,1.17068,-0.140313,-0.0812973],[0.355828,0.519971,0.104293,-0.0184817],[-0.272576,0.0622529,0.0802621,0.0133903],[-0.208849,-0.0612084,0.0237091,0.0118093],[-0.0747005,-0.0390786,-0.00618536,0.00252249]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.93
S298 (cal/mol*K) = -37.86
G298 (kcal/mol) = -1.65

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(385); C5H6(62), C7H10(385); C2H4(115)+C5H6(62)(+M)=>C7H10(385)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.751e+00 -2.069e+00 -2.369e-01 2.968e-02 / CHEB/ 3.947e+00 1.171e+00 -1.403e-01 -8.130e-02 / CHEB/ 3.558e-01 5.200e-01 1.043e-01 -1.848e-02 / CHEB/ -2.726e-01 6.225e-02 8.026e-02 1.339e-02 / CHEB/ -2.088e-01 -6.121e-02 2.371e-02 1.181e-02 / CHEB/ -7.470e-02 -3.908e-02 -6.185e-03 2.522e-03 /

2626.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	-0.7	+0.7	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-1.4	+0.4	+0.8

Chebyshev(coeffs=[[0.676559,-1.90787,-0.287123,0.0182733],[6.08637,1.26669,-0.0539263,-0.086096],[0.526003,0.455527,0.135769,-0.00603887],[-0.227231,0.00345507,0.0717754,0.0168425],[-0.183066,-0.0763745,0.0096573,0.0127459],[-0.0535064,-0.0333068,-0.0115492,0.00290382]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.84
S298 (cal/mol*K) = -29.10
G298 (kcal/mol) = 12.51

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(386); C5H6(62), C7H10(386); C2H4(115)+C5H6(62)(+M)=>C7H10(386)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.766e-01 -1.908e+00 -2.871e-01 1.827e-02 / CHEB/ 6.086e+00 1.267e+00 -5.393e-02 -8.610e-02 / CHEB/ 5.260e-01 4.555e-01 1.358e-01 -6.039e-03 / CHEB/ -2.272e-01 3.455e-03 7.178e-02 1.684e-02 / CHEB/ -1.831e-01 -7.637e-02 9.657e-03 1.275e-02 / CHEB/ -5.351e-02 -3.331e-02 -1.155e-02 2.904e-03 /

2627.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	+3.0	+3.6	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-2.2	+2.0	+3.1	+3.0

Chebyshev(coeffs=[[5.81205,-2.10975,-0.225681,0.0325235],[3.55968,1.13277,-0.155355,-0.0780553],[0.314699,0.532181,0.0919443,-0.0215672],[-0.263226,0.0820569,0.080846,0.011869],[-0.209686,-0.0533011,0.0276513,0.0118804],[-0.0773799,-0.0397097,-0.004301,0.00246484]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.10
S298 (cal/mol*K) = -31.40
G298 (kcal/mol) = -12.74

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(387); C5H6(62), C7H10(387); C2H4(115)+C5H6(62)(+M)=>C7H10(387)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.812e+00 -2.110e+00 -2.257e-01 3.252e-02 / CHEB/ 3.560e+00 1.133e+00 -1.554e-01 -7.806e-02 / CHEB/ 3.147e-01 5.322e-01 9.194e-02 -2.157e-02 / CHEB/ -2.632e-01 8.206e-02 8.085e-02 1.187e-02 / CHEB/ -2.097e-01 -5.330e-02 2.765e-02 1.188e-02 / CHEB/ -7.738e-02 -3.971e-02 -4.301e-03 2.465e-03 /

2628.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+3.5	+4.7	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+2.8	+4.4	+4.7

Chebyshev(coeffs=[[5.08464,-1.94094,-0.278794,0.0206668],[5.6996,1.25125,-0.0718992,-0.0862677],[0.48056,0.467921,0.130774,-0.00823475],[-0.24411,0.0135061,0.0735045,0.0160741],[-0.182159,-0.0743989,0.0125183,0.0124602],[-0.0598787,-0.0345115,-0.0106023,0.00296869]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.60
S298 (cal/mol*K) = -22.30
G298 (kcal/mol) = -8.95

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(388); C5H6(62), C7H10(388); C2H4(115)+C5H6(62)(+M)=>C7H10(388)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.085e+00 -1.941e+00 -2.788e-01 2.067e-02 / CHEB/ 5.700e+00 1.251e+00 -7.190e-02 -8.627e-02 / CHEB/ 4.806e-01 4.679e-01 1.308e-01 -8.235e-03 / CHEB/ -2.441e-01 1.351e-02 7.350e-02 1.607e-02 / CHEB/ -1.822e-01 -7.440e-02 1.252e-02 1.246e-02 / CHEB/ -5.988e-02 -3.451e-02 -1.060e-02 2.969e-03 /

2629.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+3.5	+4.8	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+2.8	+4.4	+4.8

Chebyshev(coeffs=[[5.04602,-1.93699,-0.28037,0.0203694],[5.77339,1.25226,-0.0692911,-0.0862608],[0.484995,0.46616,0.131071,-0.00796535],[-0.24149,0.0123774,0.0732797,0.0161172],[-0.181086,-0.0745594,0.0121969,0.0124998],[-0.0593675,-0.0343348,-0.010696,0.00296668]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.17
S298 (cal/mol*K) = -21.92
G298 (kcal/mol) = -8.64

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(389); C5H6(62), C7H10(389); C2H4(115)+C5H6(62)(+M)=>C7H10(389)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.046e+00 -1.937e+00 -2.804e-01 2.037e-02 / CHEB/ 5.773e+00 1.252e+00 -6.929e-02 -8.626e-02 / CHEB/ 4.850e-01 4.662e-01 1.311e-01 -7.965e-03 / CHEB/ -2.415e-01 1.238e-02 7.328e-02 1.612e-02 / CHEB/ -1.811e-01 -7.456e-02 1.220e-02 1.250e-02 / CHEB/ -5.937e-02 -3.433e-02 -1.070e-02 2.967e-03 /

2630.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+3.9	+5.0	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-2.5	+3.1	+4.7	+5.0

Chebyshev(coeffs=[[5.67068,-1.9733,-0.26648,0.023053],[5.35221,1.23937,-0.0921382,-0.0859416],[0.493873,0.48277,0.12688,-0.0106406],[-0.246833,0.0236047,0.075617,0.0156777],[-0.186255,-0.072614,0.0151508,0.0121683],[-0.0621678,-0.0359447,-0.00971827,0.002926]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.69
S298 (cal/mol*K) = -24.23
G298 (kcal/mol) = -11.48

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(390); C5H6(62), C7H10(390); C2H4(115)+C5H6(62)(+M)=>C7H10(390)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.671e+00 -1.973e+00 -2.665e-01 2.305e-02 / CHEB/ 5.352e+00 1.239e+00 -9.214e-02 -8.594e-02 / CHEB/ 4.939e-01 4.828e-01 1.269e-01 -1.064e-02 / CHEB/ -2.468e-01 2.360e-02 7.562e-02 1.568e-02 / CHEB/ -1.863e-01 -7.261e-02 1.515e-02 1.217e-02 / CHEB/ -6.217e-02 -3.594e-02 -9.718e-03 2.926e-03 /

2631.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	-0.8	+0.1	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-1.6	-0.3	-0.1

Chebyshev(coeffs=[[1.46848,-2.02313,-0.249673,0.0265284],[4.57838,1.20946,-0.11953,-0.084114],[0.432118,0.504448,0.116868,-0.0147657],[-0.262808,0.0423202,0.0786709,0.0147574],[-0.198832,-0.068016,0.0194814,0.0118959],[-0.068386,-0.0379156,-0.00804974,0.00271621]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.00
S298 (cal/mol*K) = -42.65
G298 (kcal/mol) = -0.29

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(391); C5H6(62), C7H10(391); C2H4(115)+C5H6(62)(+M)=>C7H10(391)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.468e+00 -2.023e+00 -2.497e-01 2.653e-02 / CHEB/ 4.578e+00 1.209e+00 -1.195e-01 -8.411e-02 / CHEB/ 4.321e-01 5.044e-01 1.169e-01 -1.477e-02 / CHEB/ -2.628e-01 4.232e-02 7.867e-02 1.476e-02 / CHEB/ -1.988e-01 -6.802e-02 1.948e-02 1.190e-02 / CHEB/ -6.839e-02 -3.792e-02 -8.050e-03 2.716e-03 /

2632.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-5.5	-4.4	-4.3
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-6.1	-4.7	-4.5

Chebyshev(coeffs=[[-4.1371,-1.84564,-0.315134,0.0129],[5.9792,1.25528,-0.0112153,-0.0833368],[0.246657,0.428707,0.134775,-0.00364226],[-0.27416,-0.00832627,0.0672201,0.0175244],[-0.187718,-0.0762726,0.00588535,0.0132346],[-0.0603428,-0.0303653,-0.0124111,0.00258317]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.70
S298 (cal/mol*K) = -48.38
G298 (kcal/mol) = -10.28

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(392); C5H6(62), C7H10(392); C2H4(115)+C5H6(62)(+M)=>C7H10(392)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.137e+00 -1.846e+00 -3.151e-01 1.290e-02 / CHEB/ 5.979e+00 1.255e+00 -1.122e-02 -8.334e-02 / CHEB/ 2.467e-01 4.287e-01 1.348e-01 -3.642e-03 / CHEB/ -2.742e-01 -8.326e-03 6.722e-02 1.752e-02 / CHEB/ -1.877e-01 -7.627e-02 5.885e-03 1.323e-02 / CHEB/ -6.034e-02 -3.037e-02 -1.241e-02 2.583e-03 /

2637.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	+2.0	+3.6	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-2.9	+1.7	+3.4	+4.2

Chebyshev(coeffs=[[4.0086,-0.513938,-0.160024,-0.000126643],[5.93864,0.274758,0.0523857,-0.0177318],[0.341893,0.0872401,0.0288374,-0.00516156],[0.00178733,0.0540303,0.0182746,0.000926421],[-0.0400483,0.0288364,0.0112512,0.00121048],[-0.0334713,0.00446694,0.0063642,0.00223247]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.29
S298 (cal/mol*K) = 5.41
G298 (kcal/mol) = 9.67

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(336); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(336)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.009e+00 -5.139e-01 -1.600e-01 -1.266e-04 / CHEB/ 5.939e+00 2.748e-01 5.239e-02 -1.773e-02 / CHEB/ 3.419e-01 8.724e-02 2.884e-02 -5.162e-03 / CHEB/ 1.787e-03 5.403e-02 1.827e-02 9.264e-04 / CHEB/ -4.005e-02 2.884e-02 1.125e-02 1.210e-03 / CHEB/ -3.347e-02 4.467e-03 6.364e-03 2.232e-03 /

2638.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+2.6	+3.9	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+2.2	+3.7	+4.4

Chebyshev(coeffs=[[5.53721,-0.613326,-0.150662,0.0128887],[4.45159,0.358019,0.0306717,-0.0293501],[0.441453,0.0918839,0.0352598,-0.00903496],[0.00526157,0.0558359,0.018424,0.00216742],[-0.0368938,0.0286692,0.0110529,0.00187879],[-0.0347872,0.00468605,0.00715813,0.00195555]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.80
S298 (cal/mol*K) = -0.62
G298 (kcal/mol) = 4.98

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(121); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(121)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.537e+00 -6.133e-01 -1.507e-01 1.289e-02 / CHEB/ 4.452e+00 3.580e-01 3.067e-02 -2.935e-02 / CHEB/ 4.415e-01 9.188e-02 3.526e-02 -9.035e-03 / CHEB/ 5.262e-03 5.584e-02 1.842e-02 2.167e-03 / CHEB/ -3.689e-02 2.867e-02 1.105e-02 1.879e-03 / CHEB/ -3.479e-02 4.686e-03 7.158e-03 1.956e-03 /

2639.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-0.7	+1.3	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-0.9	+1.2	+2.1

Chebyshev(coeffs=[[0.270652,-0.4088,-0.153333,-0.0159436],[7.62966,0.19254,0.0569609,-0.000937056],[0.276576,0.080762,0.0259517,-0.00351628],[0.0074518,0.0537676,0.0185739,-1.96266e-05],[-0.0345121,0.0277809,0.0115135,0.0010897],[-0.0290073,0.0036974,0.00539761,0.00249139]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.13
S298 (cal/mol*K) = -18.91
G298 (kcal/mol) = -9.49

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(337); H(25), C7H11(337); C7H10(65)+H(25)(+M)=>C7H11(337)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.707e-01 -4.088e-01 -1.533e-01 -1.594e-02 / CHEB/ 7.630e+00 1.925e-01 5.696e-02 -9.371e-04 / CHEB/ 2.766e-01 8.076e-02 2.595e-02 -3.516e-03 / CHEB/ 7.452e-03 5.377e-02 1.857e-02 -1.963e-05 / CHEB/ -3.451e-02 2.778e-02 1.151e-02 1.090e-03 / CHEB/ -2.901e-02 3.697e-03 5.398e-03 2.491e-03 /

2640.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	+1.1	+2.6	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-4.5	+0.5	+2.3	+3.1

Chebyshev(coeffs=[[3.14424,-1.39402,0.00995513,0.0868809],[5.72827,0.960298,-0.229278,-0.0764424],[0.315346,0.135677,0.0330986,-0.0413129],[3.3779e-05,0.062586,0.039642,-0.0110786],[-0.0499669,0.037117,0.0259311,0.00132759],[-0.0474417,0.0131649,0.016725,0.00436126]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.93
S298 (cal/mol*K) = -19.64
G298 (kcal/mol) = -17.08

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(338); H(25), C7H11(338); C7H10(65)+H(25)(+M)=>C7H11(338)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.144e+00 -1.394e+00 9.955e-03 8.688e-02 / CHEB/ 5.728e+00 9.603e-01 -2.293e-01 -7.644e-02 / CHEB/ 3.153e-01 1.357e-01 3.310e-02 -4.131e-02 / CHEB/ 3.378e-05 6.259e-02 3.964e-02 -1.108e-02 / CHEB/ -4.997e-02 3.712e-02 2.593e-02 1.328e-03 / CHEB/ -4.744e-02 1.316e-02 1.673e-02 4.361e-03 /

2641.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.3	-10.2	-4.7	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-27.4	-10.3	-4.7	-2.0

Chebyshev(coeffs=[[-20.0901,-0.0808015,-0.0423092,-0.0122899],[24.3265,0.0162427,0.00772528,0.00152433],[-0.158538,0.0394305,0.0171104,0.00135201],[-0.02966,0.0201651,0.0102572,0.00267404],[-0.00958544,0.00195077,0.00364414,0.00353669],[-0.00550313,-0.00329939,-0.000104167,0.00152302]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.57
S298 (cal/mol*K) = 13.02
G298 (kcal/mol) = 75.69

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(339); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(339)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.009e+01 -8.080e-02 -4.231e-02 -1.229e-02 / CHEB/ 2.433e+01 1.624e-02 7.725e-03 1.524e-03 / CHEB/ -1.585e-01 3.943e-02 1.711e-02 1.352e-03 / CHEB/ -2.966e-02 2.017e-02 1.026e-02 2.674e-03 / CHEB/ -9.585e-03 1.951e-03 3.644e-03 3.537e-03 / CHEB/ -5.503e-03 -3.299e-03 -1.042e-04 1.523e-03 /

2642.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.7	-9.5	-3.9	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-26.8	-9.6	-4.0	-1.2

Chebyshev(coeffs=[[-19.4613,-0.0808015,-0.0423092,-0.0122899],[24.4385,0.0162427,0.00772528,0.00152433],[-0.133796,0.0394305,0.0171104,0.00135201],[-0.0223756,0.0201651,0.0102572,0.00267404],[-0.00717358,0.00195077,0.00364414,0.00353669],[-0.00465343,-0.00329939,-0.000104167,0.00152302]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.57
S298 (cal/mol*K) = 13.02
G298 (kcal/mol) = 75.69

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(340); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(340)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.946e+01 -8.080e-02 -4.231e-02 -1.229e-02 / CHEB/ 2.444e+01 1.624e-02 7.725e-03 1.524e-03 / CHEB/ -1.338e-01 3.943e-02 1.711e-02 1.352e-03 / CHEB/ -2.238e-02 2.017e-02 1.026e-02 2.674e-03 / CHEB/ -7.174e-03 1.951e-03 3.644e-03 3.537e-03 / CHEB/ -4.653e-03 -3.299e-03 -1.042e-04 1.523e-03 /

2643.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.1	-10.4	-4.7	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-28.2	-10.5	-4.7	-1.8

Chebyshev(coeffs=[[-20.8483,-0.076885,-0.0407565,-0.0122494],[25.2049,0.0162702,0.00802778,0.00183009],[-0.138441,0.0381452,0.0168804,0.00167366],[-0.0204239,0.0186779,0.00959541,0.00259022],[-0.00584539,0.00116282,0.00309554,0.00329645],[-0.00430733,-0.00336566,-0.000264264,0.00137983]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.27
S298 (cal/mol*K) = 12.29
G298 (kcal/mol) = 78.61

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(341); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(341)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.085e+01 -7.689e-02 -4.076e-02 -1.225e-02 / CHEB/ 2.520e+01 1.627e-02 8.028e-03 1.830e-03 / CHEB/ -1.384e-01 3.815e-02 1.688e-02 1.674e-03 / CHEB/ -2.042e-02 1.868e-02 9.595e-03 2.590e-03 / CHEB/ -5.845e-03 1.163e-03 3.096e-03 3.296e-03 / CHEB/ -4.307e-03 -3.366e-03 -2.643e-04 1.380e-03 /

2644.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.4	-7.5	-2.7	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-22.4	-7.6	-2.7	-0.3

Chebyshev(coeffs=[[-15.2857,-0.0996122,-0.0496558,-0.012874],[21.0965,0.0147809,0.00558574,0.000355157],[-0.119623,0.0442158,0.0177726,9.42775e-05],[-0.0240525,0.028137,0.0136264,0.00290822],[-0.0102101,0.00674397,0.00642319,0.00427266],[-0.00693865,-0.00269577,0.000730456,0.00209804]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 68.87
S298 (cal/mol*K) = 10.91
G298 (kcal/mol) = 65.62

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(335); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(335)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.529e+01 -9.961e-02 -4.966e-02 -1.287e-02 / CHEB/ 2.110e+01 1.478e-02 5.586e-03 3.552e-04 / CHEB/ -1.196e-01 4.422e-02 1.777e-02 9.428e-05 / CHEB/ -2.405e-02 2.814e-02 1.363e-02 2.908e-03 / CHEB/ -1.021e-02 6.744e-03 6.423e-03 4.273e-03 / CHEB/ -6.939e-03 -2.696e-03 7.305e-04 2.098e-03 /

2645.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.6	-8.1	-3.1	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-23.7	-8.2	-3.1	-0.7

Chebyshev(coeffs=[[-16.4946,-0.0942441,-0.0475513,-0.0125917],[21.9969,0.0151288,0.006159,0.000569161],[-0.131687,0.0431604,0.0176537,0.000372127],[-0.0225105,0.0258578,0.0126888,0.0028742],[-0.00851199,0.00527011,0.00565292,0.00415277],[-0.00641589,-0.00291222,0.000496152,0.00196551]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.77
S298 (cal/mol*K) = 12.29
G298 (kcal/mol) = 68.11

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(342); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(342)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.649e+01 -9.424e-02 -4.755e-02 -1.259e-02 / CHEB/ 2.200e+01 1.513e-02 6.159e-03 5.692e-04 / CHEB/ -1.317e-01 4.316e-02 1.765e-02 3.721e-04 / CHEB/ -2.251e-02 2.586e-02 1.269e-02 2.874e-03 / CHEB/ -8.512e-03 5.270e-03 5.653e-03 4.153e-03 / CHEB/ -6.416e-03 -2.912e-03 4.962e-04 1.966e-03 /

2646.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.5	-8.0	-2.9	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-23.6	-8.0	-2.9	-0.4

Chebyshev(coeffs=[[-16.3794,-0.0942441,-0.0475513,-0.0125917],[22.1038,0.0151288,0.006159,0.000569161],[-0.108089,0.0431604,0.0176537,0.000372127],[-0.0155627,0.0258578,0.0126888,0.0028742],[-0.00621157,0.00527011,0.00565292,0.00415277],[-0.00560546,-0.00291222,0.000496152,0.00196551]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.77
S298 (cal/mol*K) = 12.29
G298 (kcal/mol) = 68.11

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(343); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(343)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.638e+01 -9.424e-02 -4.755e-02 -1.259e-02 / CHEB/ 2.210e+01 1.513e-02 6.159e-03 5.692e-04 / CHEB/ -1.081e-01 4.316e-02 1.765e-02 3.721e-04 / CHEB/ -1.556e-02 2.586e-02 1.269e-02 2.874e-03 / CHEB/ -6.212e-03 5.270e-03 5.653e-03 4.153e-03 / CHEB/ -5.605e-03 -2.912e-03 4.962e-04 1.966e-03 /

2647.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+3.5	+4.3	+4.6
log₁₀(k(10 bar)/[mole,m,s])	+0.5	+3.1	+4.1	+4.6

Chebyshev(coeffs=[[7.39245,-0.697544,-0.139847,0.0202948],[2.94133,0.386438,0.00628299,-0.0305822],[0.332425,0.11354,0.0330909,-0.0168034],[-0.00778213,0.0619708,0.0196798,0.00136641],[-0.0419468,0.0299199,0.0114375,0.00268629],[-0.0393225,0.00532022,0.00810127,0.00177911]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.02
S298 (cal/mol*K) = -9.31
G298 (kcal/mol) = -6.24

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(344); H(25), C7H11(344); C7H10(65)+H(25)(+M)=>C7H11(344)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.392e+00 -6.975e-01 -1.398e-01 2.029e-02 / CHEB/ 2.941e+00 3.864e-01 6.283e-03 -3.058e-02 / CHEB/ 3.324e-01 1.135e-01 3.309e-02 -1.680e-02 / CHEB/ -7.782e-03 6.197e-02 1.968e-02 1.366e-03 / CHEB/ -4.195e-02 2.992e-02 1.144e-02 2.686e-03 / CHEB/ -3.932e-02 5.320e-03 8.101e-03 1.779e-03 /

2648.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.3	-5.6	-1.5	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-18.3	-5.7	-1.5	+0.4

Chebyshev(coeffs=[[-11.3837,-0.122067,-0.0592548,-0.0154993],[18.0316,0.015855,0.00518291,0.00115655],[-0.14684,0.0469368,0.0182679,-0.000247224],[-0.0349286,0.0367766,0.016903,0.00270411],[-0.0168614,0.0124945,0.00889872,0.0041184],[-0.0116416,-0.00177074,0.00150809,0.00239961]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.45
S298 (cal/mol*K) = 11.98
G298 (kcal/mol) = 53.89

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C6H9(322); H(25), CH2(137); C7H10(65)+H(25)(+M)=>CH2(137)+C6H9(322)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.138e+01 -1.221e-01 -5.925e-02 -1.550e-02 / CHEB/ 1.803e+01 1.585e-02 5.183e-03 1.157e-03 / CHEB/ -1.468e-01 4.694e-02 1.827e-02 -2.472e-04 / CHEB/ -3.493e-02 3.678e-02 1.690e-02 2.704e-03 / CHEB/ -1.686e-02 1.249e-02 8.899e-03 4.118e-03 / CHEB/ -1.164e-02 -1.771e-03 1.508e-03 2.400e-03 /

2649.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+1.7	+1.9	+1.6
log₁₀(k(10 bar)/[mole,m,s])	+0.4	+1.9	+2.4	+2.4

Chebyshev(coeffs=[[6.2164,0.672629,-0.393795,-0.0337992],[1.31664,0.560905,0.0652041,-0.0269129],[0.130414,0.172272,0.0394388,-0.0160576],[-0.0526707,0.144274,0.0402308,-0.00208658],[-0.128383,0.0746652,0.0273226,0.00317156],[-0.109124,0.00916156,0.0123887,0.00355001]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.68
S298 (cal/mol*K) = -24.90
G298 (kcal/mol) = -9.26

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(320); H(25), C7H11(320); C7H10(65)+H(25)(+M)=>C7H11(320)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.216e+00 6.726e-01 -3.938e-01 -3.380e-02 / CHEB/ 1.317e+00 5.609e-01 6.520e-02 -2.691e-02 / CHEB/ 1.304e-01 1.723e-01 3.944e-02 -1.606e-02 / CHEB/ -5.267e-02 1.443e-01 4.023e-02 -2.087e-03 / CHEB/ -1.284e-01 7.467e-02 2.732e-02 3.172e-03 / CHEB/ -1.091e-01 9.162e-03 1.239e-02 3.550e-03 /

2650.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	+0.6	+2.3	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-4.8	+0.3	+2.2	+3.0

Chebyshev(coeffs=[[2.12977,-0.471929,-0.159015,-0.00639397],[6.62212,0.244067,0.0568052,-0.0113404],[0.332432,0.0845538,0.0275253,-0.00418075],[0.0081878,0.0534092,0.0183526,0.00062196],[-0.0368795,0.0283173,0.0113622,0.00113554],[-0.0312323,0.00413998,0.00595298,0.00235209]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.39
S298 (cal/mol*K) = -20.04
G298 (kcal/mol) = -15.42

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(345); H(25), C7H11(345); C7H10(65)+H(25)(+M)=>C7H11(345)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.130e+00 -4.719e-01 -1.590e-01 -6.394e-03 / CHEB/ 6.622e+00 2.441e-01 5.681e-02 -1.134e-02 / CHEB/ 3.324e-01 8.455e-02 2.753e-02 -4.181e-03 / CHEB/ 8.188e-03 5.341e-02 1.835e-02 6.220e-04 / CHEB/ -3.688e-02 2.832e-02 1.136e-02 1.136e-03 / CHEB/ -3.123e-02 4.140e-03 5.953e-03 2.352e-03 /

2651.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.1	-14.3	-7.7	-4.4
log₁₀(k(10 bar)/[mole,m,s])	-34.1	-14.3	-7.7	-4.4

Chebyshev(coeffs=[[-26.4387,-0.0638488,-0.0352562,-0.0118745],[28.0096,0.0175997,0.00947657,0.00291973],[0.023181,0.0330402,0.0157329,0.00276884],[0.0128773,0.0133683,0.00720013,0.00226721],[0.00252168,-0.00132813,0.00120535,0.00229328],[0.00202882,-0.00354202,-0.000858622,0.000775249]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 90.77
S298 (cal/mol*K) = 3.27
G298 (kcal/mol) = 89.80

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(346); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(346)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.644e+01 -6.385e-02 -3.526e-02 -1.187e-02 / CHEB/ 2.801e+01 1.760e-02 9.477e-03 2.920e-03 / CHEB/ 2.318e-02 3.304e-02 1.573e-02 2.769e-03 / CHEB/ 1.288e-02 1.337e-02 7.200e-03 2.267e-03 / CHEB/ 2.522e-03 -1.328e-03 1.205e-03 2.293e-03 / CHEB/ 2.029e-03 -3.542e-03 -8.586e-04 7.752e-04 /

2679.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	+2.1	+3.3	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-1.7	+1.5	+3.1	+3.9

Chebyshev(coeffs=[[5.66772,-1.36322,-0.444291,-0.0231253],[3.37482,0.933642,0.144536,-0.0859477],[0.749543,0.239977,0.156613,0.0250784],[0.129971,0.0818518,0.0651951,0.0359368],[-0.0032591,0.0140108,0.00766848,0.00924868],[-0.0240994,-0.00985355,-0.00158513,0.000228669]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.11
S298 (cal/mol*K) = -3.98
G298 (kcal/mol) = -17.93

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(549); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(549)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.668e+00 -1.363e+00 -4.443e-01 -2.313e-02 / CHEB/ 3.375e+00 9.336e-01 1.445e-01 -8.595e-02 / CHEB/ 7.495e-01 2.400e-01 1.566e-01 2.508e-02 / CHEB/ 1.300e-01 8.185e-02 6.520e-02 3.594e-02 / CHEB/ -3.259e-03 1.401e-02 7.668e-03 9.249e-03 / CHEB/ -2.410e-02 -9.854e-03 -1.585e-03 2.287e-04 /

2680.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+5.1	+5.6	+5.7
log₁₀(k(10 bar)/[mole,m,s])	+2.7	+4.4	+5.2	+5.6

Chebyshev(coeffs=[[9.70238,-1.51617,-0.464525,-0.00906007],[1.52613,0.906773,0.109323,-0.0923852],[0.326748,0.304383,0.147685,0.000749678],[0.0696266,0.12977,0.0823183,0.0312],[-0.0143847,0.0266293,0.0183863,0.0142922],[-0.029497,-0.0106869,0.000383054,0.00242299]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -42.74
S298 (cal/mol*K) = 7.99
G298 (kcal/mol) = -45.12

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H4(550); H(25), C3H7(433); C7H10(18)+H(25)(+M)=>C3H7(433)+C4H4(550)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.702e+00 -1.516e+00 -4.645e-01 -9.060e-03 / CHEB/ 1.526e+00 9.068e-01 1.093e-01 -9.239e-02 / CHEB/ 3.267e-01 3.044e-01 1.477e-01 7.497e-04 / CHEB/ 6.963e-02 1.298e-01 8.232e-02 3.120e-02 / CHEB/ -1.438e-02 2.663e-02 1.839e-02 1.429e-02 / CHEB/ -2.950e-02 -1.069e-02 3.831e-04 2.423e-03 /

2681.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.6	+4.9	+5.9	+6.3
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+4.4	+5.6	+6.2

Chebyshev(coeffs=[[8.78883,-1.35551,-0.445326,-0.0246618],[2.82275,0.923475,0.143969,-0.0856089],[0.582489,0.234813,0.155595,0.0259662],[0.0711921,0.0823527,0.0641125,0.035264],[-0.0224401,0.0159004,0.00807664,0.00881426],[-0.0306739,-0.0089128,-0.00101842,0.000382445]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.18
S298 (cal/mol*K) = 11.36
G298 (kcal/mol) = -15.56

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H6(551); H(25), C2H5(421); C7H10(18)+H(25)(+M)=>C5H6(551)+C2H5(421)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.789e+00 -1.356e+00 -4.453e-01 -2.466e-02 / CHEB/ 2.823e+00 9.235e-01 1.440e-01 -8.561e-02 / CHEB/ 5.825e-01 2.348e-01 1.556e-01 2.597e-02 / CHEB/ 7.119e-02 8.235e-02 6.411e-02 3.526e-02 / CHEB/ -2.244e-02 1.590e-02 8.077e-03 8.814e-03 / CHEB/ -3.067e-02 -8.913e-03 -1.018e-03 3.824e-04 /

2682.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	+1.1	+2.9	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-4.4	+0.7	+2.7	+3.8

Chebyshev(coeffs=[[2.80827,-1.04302,-0.424568,-0.063895],[6.28268,0.758236,0.205502,-0.0411133],[0.616492,0.149476,0.125308,0.0489268],[0.0745585,0.0553484,0.0373901,0.0234956],[-0.0199896,0.018315,0.00787514,0.00358727],[-0.0279976,-0.00682314,0.00016898,0.00161623]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.46
S298 (cal/mol*K) = 10.44
G298 (kcal/mol) = 7.35

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(552); H(25), CH3(425); C7H10(18)+H(25)(+M)=>C6H8(552)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.808e+00 -1.043e+00 -4.246e-01 -6.389e-02 / CHEB/ 6.283e+00 7.582e-01 2.055e-01 -4.111e-02 / CHEB/ 6.165e-01 1.495e-01 1.253e-01 4.893e-02 / CHEB/ 7.456e-02 5.535e-02 3.739e-02 2.350e-02 / CHEB/ -1.999e-02 1.831e-02 7.875e-03 3.587e-03 / CHEB/ -2.800e-02 -6.823e-03 1.690e-04 1.616e-03 /

2683.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-1.2	+1.6	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-1.5	+1.5	+3.1

Chebyshev(coeffs=[[-1.15796,-0.850682,-0.38928,-0.0843522],[9.29612,0.664636,0.244223,0.00861635],[0.793437,0.102994,0.086891,0.0399262],[0.186438,0.0366086,0.0226858,0.0135531],[0.0269516,0.0129858,0.00677727,0.00317824],[-0.0102813,-0.00797945,-0.000833268,0.00190308]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.09
S298 (cal/mol*K) = 2.62
G298 (kcal/mol) = 19.31

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(116); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(116)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.158e+00 -8.507e-01 -3.893e-01 -8.435e-02 / CHEB/ 9.296e+00 6.646e-01 2.442e-01 8.616e-03 / CHEB/ 7.934e-01 1.030e-01 8.689e-02 3.993e-02 / CHEB/ 1.864e-01 3.661e-02 2.269e-02 1.355e-02 / CHEB/ 2.695e-02 1.299e-02 6.777e-03 3.178e-03 / CHEB/ -1.028e-02 -7.979e-03 -8.333e-04 1.903e-03 /

2684.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+2.8	+4.3	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-1.7	+2.4	+4.1	+5.0

Chebyshev(coeffs=[[5.60543,-1.20089,-0.434844,-0.042406],[4.62909,0.862762,0.176208,-0.0688264],[0.694216,0.182096,0.146493,0.0426249],[0.074232,0.0631048,0.0471465,0.0303059],[-0.0195186,0.0166187,0.00632612,0.00479473],[-0.02833,-0.00725234,2.08022e-05,0.000906264]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.93
S298 (cal/mol*K) = 13.59
G298 (kcal/mol) = -3.12

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H4(553); H(25), C3H7(433); C7H10(18)+H(25)(+M)=>C4H4(553)+C3H7(433)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.605e+00 -1.201e+00 -4.348e-01 -4.241e-02 / CHEB/ 4.629e+00 8.628e-01 1.762e-01 -6.883e-02 / CHEB/ 6.942e-01 1.821e-01 1.465e-01 4.262e-02 / CHEB/ 7.423e-02 6.310e-02 4.715e-02 3.031e-02 / CHEB/ -1.952e-02 1.662e-02 6.326e-03 4.795e-03 / CHEB/ -2.833e-02 -7.252e-03 2.080e-05 9.063e-04 /

2685.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	+1.4	+3.2	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-3.0	+1.1	+3.1	+4.3

Chebyshev(coeffs=[[4.33568,-0.89136,-0.273358,-0.00535726],[4.82665,0.717458,0.115147,-0.0567394],[0.867095,0.0809972,0.0889512,0.0163642],[0.169729,0.0199407,0.0210917,0.0177885],[0.0546661,0.0242774,0.00892578,0.00521125],[0.00673794,0.00523054,0.00665847,0.00318072]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = -0.49

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(69); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(69)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.336e+00 -8.914e-01 -2.734e-01 -5.357e-03 / CHEB/ 4.827e+00 7.175e-01 1.151e-01 -5.674e-02 / CHEB/ 8.671e-01 8.100e-02 8.895e-02 1.636e-02 / CHEB/ 1.697e-01 1.994e-02 2.109e-02 1.779e-02 / CHEB/ 5.467e-02 2.428e-02 8.926e-03 5.211e-03 / CHEB/ 6.738e-03 5.231e-03 6.658e-03 3.181e-03 /

2686.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-0.8	+1.2	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-1.2	+1.1	+2.3

Chebyshev(coeffs=[[0.692425,-1.07089,-0.426978,-0.0599645],[6.68148,0.778085,0.201171,-0.0465744],[0.788985,0.15463,0.129467,0.0484806],[0.119707,0.0561714,0.0386704,0.0246455],[-0.00503572,0.0180522,0.00753191,0.00367034],[-0.0227481,-0.00683741,0.000210245,0.00152088]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.83
S298 (cal/mol*K) = 0.51
G298 (kcal/mol) = 9.68

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(554); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(554)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.924e-01 -1.071e+00 -4.270e-01 -5.996e-02 / CHEB/ 6.681e+00 7.781e-01 2.012e-01 -4.657e-02 / CHEB/ 7.890e-01 1.546e-01 1.295e-01 4.848e-02 / CHEB/ 1.197e-01 5.617e-02 3.867e-02 2.465e-02 / CHEB/ -5.036e-03 1.805e-02 7.532e-03 3.670e-03 / CHEB/ -2.275e-02 -6.837e-03 2.102e-04 1.521e-03 /

2687.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.1	-2.9	+0.3	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-3.2	+0.2	+2.1

Chebyshev(coeffs=[[-4.16501,-0.738465,-0.365368,-0.0969683],[11.2264,0.552494,0.223392,0.0179215],[0.804434,0.088947,0.0777907,0.0437817],[0.176648,0.0470056,0.0275208,0.0136587],[0.0195262,0.017761,0.009615,0.00349847],[-0.0134036,-0.00811378,-0.00168626,0.00144856]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.41
S298 (cal/mol*K) = 0.79
G298 (kcal/mol) = 27.17

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(555); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(555)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.165e+00 -7.385e-01 -3.654e-01 -9.697e-02 / CHEB/ 1.123e+01 5.525e-01 2.234e-01 1.792e-02 / CHEB/ 8.044e-01 8.895e-02 7.779e-02 4.378e-02 / CHEB/ 1.766e-01 4.701e-02 2.752e-02 1.366e-02 / CHEB/ 1.953e-02 1.776e-02 9.615e-03 3.498e-03 / CHEB/ -1.340e-02 -8.114e-03 -1.686e-03 1.449e-03 /

2688.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.8	+5.6	+5.9	+5.9
log₁₀(k(10 bar)/[mole,m,s])	+3.5	+4.9	+5.5	+5.8

Chebyshev(coeffs=[[10.455,-1.54674,-0.46912,-0.00638471],[1.1086,0.893239,0.101799,-0.0927361],[0.204975,0.314476,0.143942,-0.00428355],[0.0453273,0.14119,0.0843778,0.0289929],[-0.0158833,0.0313019,0.0209144,0.0147983],[-0.0293186,-0.00997827,0.00146536,0.00308952]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.64
S298 (cal/mol*K) = -36.46
G298 (kcal/mol) = -59.77

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(556); H(25), C7H11(556); C7H10(18)+H(25)(+M)=>C7H11(556)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.045e+01 -1.547e+00 -4.691e-01 -6.385e-03 / CHEB/ 1.109e+00 8.932e-01 1.018e-01 -9.274e-02 / CHEB/ 2.050e-01 3.145e-01 1.439e-01 -4.284e-03 / CHEB/ 4.533e-02 1.412e-01 8.438e-02 2.899e-02 / CHEB/ -1.588e-02 3.130e-02 2.091e-02 1.480e-02 / CHEB/ -2.932e-02 -9.978e-03 1.465e-03 3.090e-03 /

2689.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-3.8	-0.9	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-4.1	-1.0	+0.5

Chebyshev(coeffs=[[-5.02629,-0.728948,-0.373299,-0.108621],[10.9719,0.507259,0.216033,0.0263314],[0.488748,0.102272,0.0793219,0.0416386],[0.101772,0.0576336,0.0331798,0.0146917],[-0.00492081,0.0196218,0.011002,0.00422395],[-0.0229009,-0.00853732,-0.00196585,0.00145654]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.11
S298 (cal/mol*K) = 5.85
G298 (kcal/mol) = 27.37

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(557); H(25), CH2(137); C7H10(18)+H(25)(+M)=>CH2(137)+C6H9(557)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.026e+00 -7.289e-01 -3.733e-01 -1.086e-01 / CHEB/ 1.097e+01 5.073e-01 2.160e-01 2.633e-02 / CHEB/ 4.887e-01 1.023e-01 7.932e-02 4.164e-02 / CHEB/ 1.018e-01 5.763e-02 3.318e-02 1.469e-02 / CHEB/ -4.921e-03 1.962e-02 1.100e-02 4.224e-03 / CHEB/ -2.290e-02 -8.537e-03 -1.966e-03 1.457e-03 /

2690.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.5	-10.0	-4.4	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-26.6	-10.1	-4.5	-1.7

Chebyshev(coeffs=[[-19.2112,-0.178886,-0.117385,-0.0587831],[23.4188,0.0887108,0.0571389,0.027597],[0.0941293,0.028823,0.0191274,0.00977809],[0.0332761,0.0338617,0.0215757,0.0102069],[-0.0045808,0.0115976,0.00781441,0.00410192],[-0.0133693,-0.0035611,-0.00189052,-0.000530989]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.43
S298 (cal/mol*K) = 15.01
G298 (kcal/mol) = 60.95

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H8(558); H(25), C2H3(100); C7H10(18)+H(25)(+M)=>C2H3(100)+C5H8(558)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.921e+01 -1.789e-01 -1.174e-01 -5.878e-02 / CHEB/ 2.342e+01 8.871e-02 5.714e-02 2.760e-02 / CHEB/ 9.413e-02 2.882e-02 1.913e-02 9.778e-03 / CHEB/ 3.328e-02 3.386e-02 2.158e-02 1.021e-02 / CHEB/ -4.581e-03 1.160e-02 7.814e-03 4.102e-03 / CHEB/ -1.337e-02 -3.561e-03 -1.891e-03 -5.310e-04 /

2691.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.0	+6.3	+6.2	+6.0
log₁₀(k(10 bar)/[mole,m,s])	+5.3	+5.8	+6.0	+6.0

Chebyshev(coeffs=[[11.6427,-0.986954,-0.369133,-0.0715884],[0.341211,0.49295,0.127476,0.013093],[0.0118419,0.215369,0.0704777,-0.00928191],[-0.00331355,0.120016,0.0576674,0.00861024],[-0.0249085,0.0263095,0.0218176,0.013048],[-0.0249512,-0.00842315,0.00145997,0.00446716]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -79.57
S298 (cal/mol*K) = -28.58
G298 (kcal/mol) = -71.05

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(559); H(25), C7H11(559); C7H10(18)+H(25)(+M)=>C7H11(559)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.164e+01 -9.870e-01 -3.691e-01 -7.159e-02 / CHEB/ 3.412e-01 4.930e-01 1.275e-01 1.309e-02 / CHEB/ 1.184e-02 2.154e-01 7.048e-02 -9.282e-03 / CHEB/ -3.314e-03 1.200e-01 5.767e-02 8.610e-03 / CHEB/ -2.491e-02 2.631e-02 2.182e-02 1.305e-02 / CHEB/ -2.495e-02 -8.423e-03 1.460e-03 4.467e-03 /

2692.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+3.6	+4.3	+4.6
log₁₀(k(10 bar)/[mole,m,s])	+1.4	+3.2	+4.1	+4.6

Chebyshev(coeffs=[[8.23897,-0.912623,-0.351137,-0.07227],[1.80529,0.532888,0.145363,0.014935],[0.459401,0.190915,0.0748967,-0.00338159],[0.0925294,0.0919854,0.0536696,0.0129239],[-0.0123231,0.0128174,0.0158598,0.0132508],[-0.023731,-0.0116759,-0.0018662,0.00324255]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -79.37
S298 (cal/mol*K) = -27.70
G298 (kcal/mol) = -71.12

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(560); H(25), C7H11(560); C7H10(18)+H(25)(+M)=>C7H11(560)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.239e+00 -9.126e-01 -3.511e-01 -7.227e-02 / CHEB/ 1.805e+00 5.329e-01 1.454e-01 1.493e-02 / CHEB/ 4.594e-01 1.909e-01 7.490e-02 -3.382e-03 / CHEB/ 9.253e-02 9.199e-02 5.367e-02 1.292e-02 / CHEB/ -1.232e-02 1.282e-02 1.586e-02 1.325e-02 / CHEB/ -2.373e-02 -1.168e-02 -1.866e-03 3.243e-03 /

2693.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.3	+4.7	+4.4	+3.8
log₁₀(k(10 bar)/[mole,m,s])	+4.6	+5.1	+5.1	+4.7

Chebyshev(coeffs=[[10.0436,0.981487,-0.377453,-0.0716097],[-0.0220419,0.46441,0.116592,0.0120265],[0.0101769,0.215732,0.0654284,-0.0117651],[-0.120024,0.12913,0.0571766,0.00645083],[-0.139722,0.0334175,0.0234333,0.0123093],[-0.0715569,-0.00508942,0.00293731,0.00454205]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -81.30
S298 (cal/mol*K) = -30.76
G298 (kcal/mol) = -72.13

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(561); H(25), C7H11(561); C7H10(18)+H(25)(+M)=>C7H11(561)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.004e+01 9.815e-01 -3.775e-01 -7.161e-02 / CHEB/ -2.204e-02 4.644e-01 1.166e-01 1.203e-02 / CHEB/ 1.018e-02 2.157e-01 6.543e-02 -1.177e-02 / CHEB/ -1.200e-01 1.291e-01 5.718e-02 6.451e-03 / CHEB/ -1.397e-01 3.342e-02 2.343e-02 1.231e-02 / CHEB/ -7.156e-02 -5.089e-03 2.937e-03 4.542e-03 /

2694.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.4	+6.2	+6.5	+6.5
log₁₀(k(10 bar)/[mole,m,s])	+4.2	+5.5	+6.2	+6.5

Chebyshev(coeffs=[[11.0822,-1.55048,-0.468636,-0.00554907],[1.10434,0.895563,0.102432,-0.0922934],[0.21307,0.319048,0.144319,-0.00498469],[0.0602958,0.143628,0.0852162,0.0288904],[-0.00568128,0.0314108,0.0213444,0.0151118],[-0.0259455,-0.0107206,0.00140606,0.00326766]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -66.94
S298 (cal/mol*K) = -23.68
G298 (kcal/mol) = -59.88

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(562); H(25), C7H11(562); C7H10(18)+H(25)(+M)=>C7H11(562)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.108e+01 -1.550e+00 -4.686e-01 -5.549e-03 / CHEB/ 1.104e+00 8.956e-01 1.024e-01 -9.229e-02 / CHEB/ 2.131e-01 3.190e-01 1.443e-01 -4.985e-03 / CHEB/ 6.030e-02 1.436e-01 8.522e-02 2.889e-02 / CHEB/ -5.681e-03 3.141e-02 2.134e-02 1.511e-02 / CHEB/ -2.595e-02 -1.072e-02 1.406e-03 3.268e-03 /

2695.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.3	+2.6	+3.3	+3.7
log₁₀(k(10 bar)/[mole,m,s])	+0.5	+2.2	+3.1	+3.6

Chebyshev(coeffs=[[7.40945,-1.09406,-0.34065,-0.0416373],[1.62221,0.727465,0.120631,-0.0170711],[0.460043,0.208573,0.0949807,-0.00695677],[0.125692,0.0739871,0.0544173,0.0186422],[0.00352266,0.00488921,0.0121392,0.0143507],[-0.0213604,-0.0122785,-0.00175624,0.00271573]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -64.29
S298 (cal/mol*K) = -25.39
G298 (kcal/mol) = -56.72

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(563); H(25), C7H11(563); C7H10(18)+H(25)(+M)=>C7H11(563)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.409e+00 -1.094e+00 -3.407e-01 -4.164e-02 / CHEB/ 1.622e+00 7.275e-01 1.206e-01 -1.707e-02 / CHEB/ 4.600e-01 2.086e-01 9.498e-02 -6.957e-03 / CHEB/ 1.257e-01 7.399e-02 5.442e-02 1.864e-02 / CHEB/ 3.523e-03 4.889e-03 1.214e-02 1.435e-02 / CHEB/ -2.136e-02 -1.228e-02 -1.756e-03 2.716e-03 /

2696.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.5	+4.2	+4.3	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+2.2	+3.4	+3.9	+4.2

Chebyshev(coeffs=[[9.07026,-1.56329,-0.471699,-0.00495564],[0.922295,0.884419,0.0975942,-0.0927562],[0.149481,0.319038,0.141659,-0.00691619],[0.0399182,0.147765,0.0852729,0.027603],[-0.0108823,0.0347374,0.0223312,0.0148678],[-0.0280568,-0.00915851,0.00219419,0.003429]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -53.46
S298 (cal/mol*K) = -33.63
G298 (kcal/mol) = -43.44

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(564); H(25), C7H11(564); C7H10(18)+H(25)(+M)=>C7H11(564)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.070e+00 -1.563e+00 -4.717e-01 -4.956e-03 / CHEB/ 9.223e-01 8.844e-01 9.759e-02 -9.276e-02 / CHEB/ 1.495e-01 3.190e-01 1.417e-01 -6.916e-03 / CHEB/ 3.992e-02 1.478e-01 8.527e-02 2.760e-02 / CHEB/ -1.088e-02 3.474e-02 2.233e-02 1.487e-02 / CHEB/ -2.806e-02 -9.159e-03 2.194e-03 3.429e-03 /

2697.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-3.0	+0.1	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-11.9	-3.3	-0.0	+1.6

Chebyshev(coeffs=[[-4.75803,-0.659003,-0.3446,-0.104805],[11.807,0.463918,0.205552,0.0303412],[0.48644,0.0856801,0.0679817,0.0379486],[0.11023,0.0536586,0.0306088,0.0130095],[0.00142626,0.0199715,0.0114307,0.00443822],[-0.020018,-0.00762079,-0.00172263,0.0014613]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.57
S298 (cal/mol*K) = 8.18
G298 (kcal/mol) = 21.13

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(565); H(25), CH2(T)(82); C7H10(18)+H(25)(+M)=>C6H9(565)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.758e+00 -6.590e-01 -3.446e-01 -1.048e-01 / CHEB/ 1.181e+01 4.639e-01 2.056e-01 3.034e-02 / CHEB/ 4.864e-01 8.568e-02 6.798e-02 3.795e-02 / CHEB/ 1.102e-01 5.366e-02 3.061e-02 1.301e-02 / CHEB/ 1.426e-03 1.997e-02 1.143e-02 4.438e-03 / CHEB/ -2.002e-02 -7.621e-03 -1.723e-03 1.461e-03 /

2738.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+3.3	+3.4	+3.4
log₁₀(k(10 bar)/[mole,m,s])	+2.0	+2.8	+3.1	+3.3

Chebyshev(coeffs=[[8.54652,-1.11604,-0.264015,0.0276525],[0.694785,0.710948,0.028362,-0.0791044],[0.0294686,0.157874,0.086727,-0.0078113],[0.0152869,0.0669839,0.037201,0.00910965],[0.0221444,0.0498759,0.0184629,0.00469214],[0.00134341,0.0163585,0.0127442,0.00452661]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -67.51
S298 (cal/mol*K) = -31.00
G298 (kcal/mol) = -58.27

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(566); H(25), C7H11(566); C7H10(18)+H(25)(+M)=>C7H11(566)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.547e+00 -1.116e+00 -2.640e-01 2.765e-02 / CHEB/ 6.948e-01 7.109e-01 2.836e-02 -7.910e-02 / CHEB/ 2.947e-02 1.579e-01 8.673e-02 -7.811e-03 / CHEB/ 1.529e-02 6.698e-02 3.720e-02 9.110e-03 / CHEB/ 2.214e-02 4.988e-02 1.846e-02 4.692e-03 / CHEB/ 1.343e-03 1.636e-02 1.274e-02 4.527e-03 /

2739.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+5.5	+6.3	+6.7
log₁₀(k(10 bar)/[mole,m,s])	+3.1	+5.0	+6.0	+6.7

Chebyshev(coeffs=[[10.0193,-1.11776,-0.303114,0.00273266],[2.05011,0.803723,0.0850967,-0.0662019],[0.44536,0.14791,0.104035,0.0071228],[0.112694,0.0517609,0.038838,0.0162569],[0.0355144,0.0373473,0.014697,0.00644398],[-0.000157889,0.00663973,0.007349,0.00345322]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.82
S298 (cal/mol*K) = -6.64
G298 (kcal/mol) = -32.85

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(80); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(80)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.002e+01 -1.118e+00 -3.031e-01 2.733e-03 / CHEB/ 2.050e+00 8.037e-01 8.510e-02 -6.620e-02 / CHEB/ 4.454e-01 1.479e-01 1.040e-01 7.123e-03 / CHEB/ 1.127e-01 5.176e-02 3.884e-02 1.626e-02 / CHEB/ 3.551e-02 3.735e-02 1.470e-02 6.444e-03 / CHEB/ -1.579e-04 6.640e-03 7.349e-03 3.453e-03 /

2740.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.6	+5.0	+4.6	+4.1
log₁₀(k(10 bar)/[mole,m,s])	+4.6	+5.4	+5.3	+5.0

Chebyshev(coeffs=[[10.0644,0.654379,-0.387246,-0.0237757],[0.443524,0.78863,0.09026,-0.0411765],[-0.188069,0.191385,0.0970309,-0.00335444],[-0.201793,0.113106,0.0548276,0.012002],[-0.0779435,0.0634002,0.0219235,0.00407764],[-0.0138227,0.010987,0.00756732,0.00103175]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.10
S298 (cal/mol*K) = -29.66
G298 (kcal/mol) = -63.26

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(567); H(25), C7H11(567); C7H10(18)+H(25)(+M)=>C7H11(567)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.006e+01 6.544e-01 -3.872e-01 -2.378e-02 / CHEB/ 4.435e-01 7.886e-01 9.026e-02 -4.118e-02 / CHEB/ -1.881e-01 1.914e-01 9.703e-02 -3.354e-03 / CHEB/ -2.018e-01 1.131e-01 5.483e-02 1.200e-02 / CHEB/ -7.794e-02 6.340e-02 2.192e-02 4.078e-03 / CHEB/ -1.382e-02 1.099e-02 7.567e-03 1.032e-03 /

2741.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.7	+6.2	+6.4	+6.4
log₁₀(k(10 bar)/[mole,m,s])	+4.8	+5.7	+6.1	+6.4

Chebyshev(coeffs=[[11.4039,-1.13205,-0.275706,0.0225803],[0.824251,0.723615,0.0345002,-0.0783354],[0.0821575,0.166066,0.0927684,-0.0050336],[0.0331405,0.0717157,0.040986,0.0110056],[0.0257366,0.0500325,0.0194051,0.00567911],[0.000574014,0.0139448,0.0117581,0.00457935]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -81.30
S298 (cal/mol*K) = -30.76
G298 (kcal/mol) = -72.13

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(568); H(25), C7H11(568); C7H10(18)+H(25)(+M)=>C7H11(568)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.140e+01 -1.132e+00 -2.757e-01 2.258e-02 / CHEB/ 8.243e-01 7.236e-01 3.450e-02 -7.834e-02 / CHEB/ 8.216e-02 1.661e-01 9.277e-02 -5.034e-03 / CHEB/ 3.314e-02 7.172e-02 4.099e-02 1.101e-02 / CHEB/ 2.574e-02 5.003e-02 1.941e-02 5.679e-03 / CHEB/ 5.740e-04 1.394e-02 1.176e-02 4.579e-03 /

2742.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.5	+4.9	+4.3	+3.7
log₁₀(k(10 bar)/[mole,m,s])	+4.5	+5.2	+4.9	+4.6

Chebyshev(coeffs=[[9.92971,0.61267,-0.401163,-0.0223714],[0.273391,0.766937,0.0772439,-0.0480497],[-0.278003,0.208015,0.107016,0.00107723],[-0.242796,0.132479,0.0624704,0.0132658],[-0.0966235,0.0718695,0.0239694,0.00367625],[-0.0228614,0.0109706,0.0064412,0.000409704]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.10
S298 (cal/mol*K) = -29.66
G298 (kcal/mol) = -63.26

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(569); H(25), C7H11(569); C7H10(18)+H(25)(+M)=>C7H11(569)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.930e+00 6.127e-01 -4.012e-01 -2.237e-02 / CHEB/ 2.734e-01 7.669e-01 7.724e-02 -4.805e-02 / CHEB/ -2.780e-01 2.080e-01 1.070e-01 1.077e-03 / CHEB/ -2.428e-01 1.325e-01 6.247e-02 1.327e-02 / CHEB/ -9.662e-02 7.187e-02 2.397e-02 3.676e-03 / CHEB/ -2.286e-02 1.097e-02 6.441e-03 4.097e-04 /

2743.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.8	+6.7	+6.3	+5.6
log₁₀(k(10 bar)/[mole,m,s])	+6.9	+7.1	+6.9	+6.5

Chebyshev(coeffs=[[12.3107,0.742558,-0.32165,0.00357119],[-0.325772,0.69406,0.0490909,-0.0468563],[-0.189269,0.159456,0.065069,-0.0204853],[-0.129969,0.0976145,0.0384697,0.00335887],[-0.111919,0.0718358,0.0234895,0.0037624],[-0.0737874,0.0253818,0.0146483,0.00307365]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -101.01
S298 (cal/mol*K) = -33.32
G298 (kcal/mol) = -91.08

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(570); H(25), C7H11(570); C7H10(18)+H(25)(+M)=>C7H11(570)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.231e+01 7.426e-01 -3.217e-01 3.571e-03 / CHEB/ -3.258e-01 6.941e-01 4.909e-02 -4.686e-02 / CHEB/ -1.893e-01 1.595e-01 6.507e-02 -2.049e-02 / CHEB/ -1.300e-01 9.761e-02 3.847e-02 3.359e-03 / CHEB/ -1.119e-01 7.184e-02 2.349e-02 3.762e-03 / CHEB/ -7.379e-02 2.538e-02 1.465e-02 3.074e-03 /

2744.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.3	+7.1	+7.4	+7.6
log₁₀(k(10 bar)/[mole,m,s])	+5.4	+6.6	+7.2	+7.5

Chebyshev(coeffs=[[12.1793,-1.1165,-0.280008,0.0257265],[1.05642,0.770449,0.0579414,-0.0823551],[0.210053,0.158719,0.0946448,-0.00420903],[0.0456557,0.0531838,0.0379494,0.0141517],[0.0166752,0.0394318,0.0172951,0.00753323],[-0.00420063,0.0107023,0.0107301,0.0052403]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -33.55
S298 (cal/mol*K) = 4.99
G298 (kcal/mol) = -35.04

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(81); H(25), CH3(425); C7H10(18)+H(25)(+M)=>C6H8(81)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.218e+01 -1.117e+00 -2.800e-01 2.573e-02 / CHEB/ 1.056e+00 7.704e-01 5.794e-02 -8.236e-02 / CHEB/ 2.101e-01 1.587e-01 9.464e-02 -4.209e-03 / CHEB/ 4.566e-02 5.318e-02 3.795e-02 1.415e-02 / CHEB/ 1.668e-02 3.943e-02 1.730e-02 7.533e-03 / CHEB/ -4.201e-03 1.070e-02 1.073e-02 5.240e-03 /

2745.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.1	+3.1	+4.5	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-0.7	+2.8	+4.3	+5.2

Chebyshev(coeffs=[[6.40601,-0.869586,-0.261044,0.00197467],[4.05032,0.71698,0.10896,-0.0668593],[0.650148,0.0582489,0.0860879,0.0227808],[0.0956781,0.0168724,0.0171167,0.0158441],[0.0196232,0.0308228,0.0103191,0.00343558],[-0.00470283,0.00777483,0.00790697,0.00349659]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.78
S298 (cal/mol*K) = 12.04
G298 (kcal/mol) = -4.36

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H6(62); H(25), C2H5(421); C7H10(18)+H(25)(+M)=>C5H6(62)+C2H5(421)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.406e+00 -8.696e-01 -2.610e-01 1.975e-03 / CHEB/ 4.050e+00 7.170e-01 1.090e-01 -6.686e-02 / CHEB/ 6.501e-01 5.825e-02 8.609e-02 2.278e-02 / CHEB/ 9.568e-02 1.687e-02 1.712e-02 1.584e-02 / CHEB/ 1.962e-02 3.082e-02 1.032e-02 3.436e-03 / CHEB/ -4.703e-03 7.775e-03 7.907e-03 3.497e-03 /

2746.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.6	+3.0	+4.3	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-0.0	+2.6	+4.1	+5.0

Chebyshev(coeffs=[[7.1401,-0.705742,-0.23744,-0.0283684],[2.87197,0.427676,0.0739097,-0.015723],[0.78402,0.178862,0.0832369,-0.000452781],[0.163831,0.0524709,0.0384674,0.0130901],[0.0136298,-0.00301825,0.00364901,0.00863534],[-0.00761289,-0.00808266,-0.00163319,0.00199383]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.50
S298 (cal/mol*K) = -7.23
G298 (kcal/mol) = -13.35

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(63); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(63)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.140e+00 -7.057e-01 -2.374e-01 -2.837e-02 / CHEB/ 2.872e+00 4.277e-01 7.391e-02 -1.572e-02 / CHEB/ 7.840e-01 1.789e-01 8.324e-02 -4.528e-04 / CHEB/ 1.638e-01 5.247e-02 3.847e-02 1.309e-02 / CHEB/ 1.363e-02 -3.018e-03 3.649e-03 8.635e-03 / CHEB/ -7.613e-03 -8.083e-03 -1.633e-03 1.994e-03 /

2747.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	-0.2	+1.8	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-5.6	-0.5	+1.7	+2.9

Chebyshev(coeffs=[[1.71146,-0.883961,-0.322895,-0.0345145],[6.28668,0.719137,0.17274,-0.0357587],[0.774178,0.0672338,0.0863592,0.0325697],[0.133982,0.0358187,0.0235763,0.015738],[0.0286755,0.0301581,0.0109814,0.00283126],[-0.000701121,-0.000821058,0.00289316,0.00181853]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.90
S298 (cal/mol*K) = -1.61
G298 (kcal/mol) = 8.38

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(65); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(65)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.711e+00 -8.840e-01 -3.229e-01 -3.451e-02 / CHEB/ 6.287e+00 7.191e-01 1.727e-01 -3.576e-02 / CHEB/ 7.742e-01 6.723e-02 8.636e-02 3.257e-02 / CHEB/ 1.340e-01 3.582e-02 2.358e-02 1.574e-02 / CHEB/ 2.868e-02 3.016e-02 1.098e-02 2.831e-03 / CHEB/ -7.011e-04 -8.211e-04 2.893e-03 1.819e-03 /

2748.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	+1.8	+4.5	+6.1
log₁₀(k(10 bar)/[mole,m,s])	-4.9	+1.6	+4.5	+6.1

Chebyshev(coeffs=[[2.49075,-0.655568,-0.257589,-0.0271471],[8.48802,0.556703,0.15799,-0.0296606],[0.842571,0.0288924,0.0529062,0.0282405],[0.206942,0.0139315,0.0100169,0.00949697],[0.0574205,0.0264998,0.0114028,0.00278619],[0.00661354,0.00501278,0.00592343,0.00355698]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.65
S298 (cal/mol*K) = 14.57
G298 (kcal/mol) = 13.31

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H7(571); H(25), C3H4(73); C7H10(18)+H(25)(+M)=>C3H4(73)+C4H7(571)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.491e+00 -6.556e-01 -2.576e-01 -2.715e-02 / CHEB/ 8.488e+00 5.567e-01 1.580e-01 -2.966e-02 / CHEB/ 8.426e-01 2.889e-02 5.291e-02 2.824e-02 / CHEB/ 2.069e-01 1.393e-02 1.002e-02 9.497e-03 / CHEB/ 5.742e-02 2.650e-02 1.140e-02 2.786e-03 / CHEB/ 6.614e-03 5.013e-03 5.923e-03 3.557e-03 /

2749.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	-0.9	+1.3	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-6.3	-1.2	+1.2	+2.6

Chebyshev(coeffs=[[1.07826,-0.817987,-0.282153,-0.0176732],[6.37748,0.684495,0.147071,-0.0478965],[0.881229,0.0469861,0.0763904,0.0284331],[0.174524,0.0201496,0.0162956,0.0145764],[0.0463844,0.0298268,0.0110872,0.00320248],[0.003284,0.00476533,0.00605703,0.00298346]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.24
S298 (cal/mol*K) = -6.32
G298 (kcal/mol) = 9.12

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(71); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(71)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.078e+00 -8.180e-01 -2.822e-01 -1.767e-02 / CHEB/ 6.377e+00 6.845e-01 1.471e-01 -4.790e-02 / CHEB/ 8.812e-01 4.699e-02 7.639e-02 2.843e-02 / CHEB/ 1.745e-01 2.015e-02 1.630e-02 1.458e-02 / CHEB/ 4.638e-02 2.983e-02 1.109e-02 3.202e-03 / CHEB/ 3.284e-03 4.765e-03 6.057e-03 2.983e-03 /

2750.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.5	+4.3	+4.7	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+2.7	+3.8	+4.5	+4.9

Chebyshev(coeffs=[[9.41241,-1.01551,-0.249152,0.0140988],[1.08664,0.635554,0.0259519,-0.0619394],[0.232112,0.185884,0.0947903,-0.010042],[0.0660535,0.0566998,0.0382995,0.0123266],[0.028546,0.034332,0.0139616,0.00642572],[0.00406036,0.0123019,0.0103203,0.00401393]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -62.27
S298 (cal/mol*K) = -28.79
G298 (kcal/mol) = -53.69

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(572); H(25), C7H11(572); C7H10(18)+H(25)(+M)=>C7H11(572)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.412e+00 -1.016e+00 -2.492e-01 1.410e-02 / CHEB/ 1.087e+00 6.356e-01 2.595e-02 -6.194e-02 / CHEB/ 2.321e-01 1.859e-01 9.479e-02 -1.004e-02 / CHEB/ 6.605e-02 5.670e-02 3.830e-02 1.233e-02 / CHEB/ 2.855e-02 3.433e-02 1.396e-02 6.426e-03 / CHEB/ 4.060e-03 1.230e-02 1.032e-02 4.014e-03 /

2751.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.6	+4.8	+4.8	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+3.8	+4.3	+4.5	+4.6

Chebyshev(coeffs=[[10.2499,-1.13177,-0.265169,0.0291404],[0.417915,0.699863,0.0232721,-0.0787286],[-0.0634629,0.161648,0.0843247,-0.00977589],[-0.00641468,0.0728066,0.0373361,0.00758158],[0.0208803,0.0534984,0.0191803,0.0040953],[0.00183694,0.0180525,0.0134272,0.00440621]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -107.78
S298 (cal/mol*K) = -43.29
G298 (kcal/mol) = -94.88

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(573); H(25), C7H11(573); C7H10(18)+H(25)(+M)=>C7H11(573)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.025e+01 -1.132e+00 -2.652e-01 2.914e-02 / CHEB/ 4.179e-01 6.999e-01 2.327e-02 -7.873e-02 / CHEB/ -6.346e-02 1.616e-01 8.432e-02 -9.776e-03 / CHEB/ -6.415e-03 7.281e-02 3.734e-02 7.582e-03 / CHEB/ 2.088e-02 5.350e-02 1.918e-02 4.095e-03 / CHEB/ 1.837e-03 1.805e-02 1.343e-02 4.406e-03 /

2752.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	+0.9	+2.9	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-4.0	+0.6	+2.7	+3.9

Chebyshev(coeffs=[[3.33686,-0.6906,-0.23792,-0.0216846],[5.58568,0.506484,0.0940263,-0.03389],[0.827221,0.107761,0.086869,0.0176649],[0.153639,0.0306253,0.0227034,0.0149347],[0.0132555,0.00678281,0.00271813,0.00416048],[-0.00855698,-0.00173572,0.00201418,0.00157308]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.20
S298 (cal/mol*K) = 4.56
G298 (kcal/mol) = 4.84

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(574); H(25), CH2(137); C7H10(18)+H(25)(+M)=>CH2(137)+C6H9(574)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.337e+00 -6.906e-01 -2.379e-01 -2.168e-02 / CHEB/ 5.586e+00 5.065e-01 9.403e-02 -3.389e-02 / CHEB/ 8.272e-01 1.078e-01 8.687e-02 1.766e-02 / CHEB/ 1.536e-01 3.063e-02 2.270e-02 1.493e-02 / CHEB/ 1.326e-02 6.783e-03 2.718e-03 4.160e-03 / CHEB/ -8.557e-03 -1.736e-03 2.014e-03 1.573e-03 /

2753.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-3.8	+0.0	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-14.1	-3.9	-0.0	+2.1

Chebyshev(coeffs=[[-6.8223,-0.359589,-0.190378,-0.0579419],[14.1471,0.292505,0.137133,0.0248861],[0.539765,0.00986997,0.016743,0.015033],[0.172327,0.0189911,0.00999793,0.00358478],[0.0410095,0.0208127,0.0119247,0.00443196],[0.000548866,0.00228661,0.00318451,0.0028756]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.53
S298 (cal/mol*K) = 7.97
G298 (kcal/mol) = 29.15

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(575); H(25), CH2(T)(82); C7H10(18)+H(25)(+M)=>CH2(T)(82)+C6H9(575)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.822e+00 -3.596e-01 -1.904e-01 -5.794e-02 / CHEB/ 1.415e+01 2.925e-01 1.371e-01 2.489e-02 / CHEB/ 5.398e-01 9.870e-03 1.674e-02 1.503e-02 / CHEB/ 1.723e-01 1.899e-02 9.998e-03 3.585e-03 / CHEB/ 4.101e-02 2.081e-02 1.192e-02 4.432e-03 / CHEB/ 5.489e-04 2.287e-03 3.185e-03 2.876e-03 /

2754.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-0.9	+1.8	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-1.1	+1.7	+3.4

Chebyshev(coeffs=[[0.353786,-0.716268,-0.257893,-0.0168517],[7.68236,0.625547,0.15115,-0.0428322],[1.03481,0.0280324,0.0636991,0.0302266],[0.228799,0.00978407,0.00911267,0.0115662],[0.0580934,0.0260019,0.00989307,0.00234826],[0.00801827,0.00473563,0.00599252,0.00327713]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.70
S298 (cal/mol*K) = -1.87
G298 (kcal/mol) = 12.26

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(90); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(90)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.538e-01 -7.163e-01 -2.579e-01 -1.685e-02 / CHEB/ 7.682e+00 6.255e-01 1.511e-01 -4.283e-02 / CHEB/ 1.035e+00 2.803e-02 6.370e-02 3.023e-02 / CHEB/ 2.288e-01 9.784e-03 9.113e-03 1.157e-02 / CHEB/ 5.809e-02 2.600e-02 9.893e-03 2.348e-03 / CHEB/ 8.018e-03 4.736e-03 5.993e-03 3.277e-03 /

2755.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.0	+3.7	+4.5	+5.0
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+3.2	+4.3	+5.0

Chebyshev(coeffs=[[8.20093,-1.0346,-0.259091,0.0199574],[2.12959,0.750673,0.0552201,-0.078828],[0.470643,0.127256,0.0950709,0.00350124],[0.114031,0.0388829,0.0326325,0.01535],[0.0368342,0.0367541,0.0138521,0.0058414],[0.00235983,0.0110843,0.00971469,0.00421317]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -64.90
S298 (cal/mol*K) = -24.86
G298 (kcal/mol) = -57.49

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(396); H(25), C7H11(396); C7H10(18)+H(25)(+M)=>C7H11(396)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.201e+00 -1.035e+00 -2.591e-01 1.996e-02 / CHEB/ 2.130e+00 7.507e-01 5.522e-02 -7.883e-02 / CHEB/ 4.706e-01 1.273e-01 9.507e-02 3.501e-03 / CHEB/ 1.140e-01 3.888e-02 3.263e-02 1.535e-02 / CHEB/ 3.683e-02 3.675e-02 1.385e-02 5.841e-03 / CHEB/ 2.360e-03 1.108e-02 9.715e-03 4.213e-03 /

2756.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.0	+3.7	+4.5	+5.0
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+3.2	+4.3	+5.0

H298 (kcal/mol) = -64.90
S298 (cal/mol*K) = -24.86
G298 (kcal/mol) = -57.49

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(397); H(25), C7H11(397); C7H10(18)+H(25)(+M)=>C7H11(397)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.201e+00 -1.035e+00 -2.591e-01 1.996e-02 / CHEB/ 2.130e+00 7.507e-01 5.522e-02 -7.883e-02 / CHEB/ 4.706e-01 1.273e-01 9.507e-02 3.501e-03 / CHEB/ 1.140e-01 3.888e-02 3.263e-02 1.535e-02 / CHEB/ 3.683e-02 3.675e-02 1.385e-02 5.841e-03 / CHEB/ 2.360e-03 1.108e-02 9.715e-03 4.213e-03 /

2757.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+3.9	+4.7	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+3.5	+4.5	+5.2

Chebyshev(coeffs=[[8.54395,-1.04143,-0.259358,0.0206277],[2.02015,0.748755,0.0529917,-0.0789821],[0.441915,0.130486,0.0947063,0.00251967],[0.109653,0.0409435,0.0332478,0.0149796],[0.0367265,0.037453,0.0142342,0.00586928],[0.00248614,0.0113262,0.00989944,0.00427787]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -64.90
S298 (cal/mol*K) = -24.86
G298 (kcal/mol) = -57.49

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(395); H(25), C7H11(395); C7H10(18)+H(25)(+M)=>C7H11(395)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.544e+00 -1.041e+00 -2.594e-01 2.063e-02 / CHEB/ 2.020e+00 7.488e-01 5.299e-02 -7.898e-02 / CHEB/ 4.419e-01 1.305e-01 9.471e-02 2.520e-03 / CHEB/ 1.097e-01 4.094e-02 3.325e-02 1.498e-02 / CHEB/ 3.673e-02 3.745e-02 1.423e-02 5.869e-03 / CHEB/ 2.486e-03 1.133e-02 9.899e-03 4.278e-03 /

2758.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+3.5	+4.4	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+1.1	+3.1	+4.2	+4.9

Chebyshev(coeffs=[[8.08932,-1.03751,-0.259201,0.0202438],[2.14011,0.749889,0.0542704,-0.0788968],[0.471172,0.128642,0.0949231,0.00308285],[0.115947,0.0397505,0.0328985,0.015196],[0.0380311,0.0370434,0.0140135,0.00585554],[0.00284756,0.0111845,0.00979158,0.00424095]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -62.70
S298 (cal/mol*K) = -25.28
G298 (kcal/mol) = -55.17

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(398); H(25), C7H11(398); C7H10(18)+H(25)(+M)=>C7H11(398)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.089e+00 -1.038e+00 -2.592e-01 2.024e-02 / CHEB/ 2.140e+00 7.499e-01 5.427e-02 -7.890e-02 / CHEB/ 4.712e-01 1.286e-01 9.492e-02 3.083e-03 / CHEB/ 1.159e-01 3.975e-02 3.290e-02 1.520e-02 / CHEB/ 3.803e-02 3.704e-02 1.401e-02 5.856e-03 / CHEB/ 2.848e-03 1.118e-02 9.792e-03 4.241e-03 /

2759.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.4	+5.0	+5.2	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+3.4	+4.5	+4.9	+5.2

Chebyshev(coeffs=[[10.0341,-1.31216,-0.403429,-0.0429675],[0.999765,0.935261,0.170982,-0.0175694],[0.090356,0.111666,0.0648299,-0.0125327],[0.0228189,0.0580239,0.0343953,0.00855441],[0.0124079,0.0578888,0.0263846,0.0103643],[-0.00675439,0.0176019,0.0146464,0.00663515]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -88.77
S298 (cal/mol*K) = -30.88
G298 (kcal/mol) = -79.57

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(394); H(25), C7H11(394); C7H10(18)+H(25)(+M)=>C7H11(394)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.003e+01 -1.312e+00 -4.034e-01 -4.297e-02 / CHEB/ 9.998e-01 9.353e-01 1.710e-01 -1.757e-02 / CHEB/ 9.036e-02 1.117e-01 6.483e-02 -1.253e-02 / CHEB/ 2.282e-02 5.802e-02 3.440e-02 8.554e-03 / CHEB/ 1.241e-02 5.789e-02 2.638e-02 1.036e-02 / CHEB/ -6.754e-03 1.760e-02 1.465e-02 6.635e-03 /

2760.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.8	+4.5	+4.9	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+2.9	+4.1	+4.7	+5.0

Chebyshev(coeffs=[[9.63871,-1.08617,-0.2618,0.0248994],[1.09425,0.729651,0.0382936,-0.0793897],[0.17932,0.149054,0.0907827,-0.00382408],[0.0531445,0.0561591,0.0363306,0.0118114],[0.0280543,0.0438863,0.0168771,0.00551917],[0.00138118,0.0137145,0.0114671,0.00457953]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.74
S298 (cal/mol*K) = -31.02
G298 (kcal/mol) = -52.50

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(576); H(25), C7H11(576); C7H10(18)+H(25)(+M)=>C7H11(576)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.639e+00 -1.086e+00 -2.618e-01 2.490e-02 / CHEB/ 1.094e+00 7.297e-01 3.829e-02 -7.939e-02 / CHEB/ 1.793e-01 1.491e-01 9.078e-02 -3.824e-03 / CHEB/ 5.314e-02 5.616e-02 3.633e-02 1.181e-02 / CHEB/ 2.805e-02 4.389e-02 1.688e-02 5.519e-03 / CHEB/ 1.381e-03 1.371e-02 1.147e-02 4.580e-03 /

2761.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	+0.2	+3.5	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-7.9	+0.1	+3.4	+5.3

Chebyshev(coeffs=[[-0.478936,-0.536793,-0.239509,-0.0426491],[10.6997,0.457602,0.163569,-0.00527329],[0.818166,0.01776,0.0359397,0.02536],[0.215543,0.0149237,0.00878752,0.00625262],[0.0507782,0.0242176,0.0118153,0.00312753],[0.00426962,0.00356429,0.00467894,0.00345004]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.65
S298 (cal/mol*K) = 14.57
G298 (kcal/mol) = 13.31

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H8(577); H(25), C2H3(100); C7H10(18)+H(25)(+M)=>C2H3(100)+C5H8(577)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.789e-01 -5.368e-01 -2.395e-01 -4.265e-02 / CHEB/ 1.070e+01 4.576e-01 1.636e-01 -5.273e-03 / CHEB/ 8.182e-01 1.776e-02 3.594e-02 2.536e-02 / CHEB/ 2.155e-01 1.492e-02 8.788e-03 6.253e-03 / CHEB/ 5.078e-02 2.422e-02 1.182e-02 3.128e-03 / CHEB/ 4.270e-03 3.564e-03 4.679e-03 3.450e-03 /

2762.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+3.3	+3.4	+3.4
log₁₀(k(10 bar)/[mole,m,s])	+2.0	+2.8	+3.1	+3.3

H298 (kcal/mol) = -66.85
S298 (cal/mol*K) = -34.40
G298 (kcal/mol) = -56.60

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(578); H(25), C7H11(578); C7H10(18)+H(25)(+M)=>C7H11(578)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.547e+00 -1.116e+00 -2.640e-01 2.765e-02 / CHEB/ 6.948e-01 7.109e-01 2.836e-02 -7.910e-02 / CHEB/ 2.947e-02 1.579e-01 8.673e-02 -7.811e-03 / CHEB/ 1.529e-02 6.698e-02 3.720e-02 9.110e-03 / CHEB/ 2.214e-02 4.988e-02 1.846e-02 4.692e-03 / CHEB/ 1.343e-03 1.636e-02 1.274e-02 4.527e-03 /

2763.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.3	+7.0	+7.4	+7.6
log₁₀(k(10 bar)/[mole,m,s])	+5.7	+6.6	+7.3	+7.6

Chebyshev(coeffs=[[12.3243,-0.776257,-0.246523,-0.0237521],[0.883007,0.40631,0.0600545,-0.0151841],[0.283061,0.214928,0.0788029,-0.0093634],[0.08545,0.0779709,0.0429332,0.00774436],[0.00716944,0.00240333,0.0082772,0.0090142],[-0.0084135,-0.0101926,-0.000440661,0.00334804]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.70
S298 (cal/mol*K) = -9.68
G298 (kcal/mol) = -47.82

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(79); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(79)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.232e+01 -7.763e-01 -2.465e-01 -2.375e-02 / CHEB/ 8.830e-01 4.063e-01 6.005e-02 -1.518e-02 / CHEB/ 2.831e-01 2.149e-01 7.880e-02 -9.363e-03 / CHEB/ 8.545e-02 7.797e-02 4.293e-02 7.744e-03 / CHEB/ 7.169e-03 2.403e-03 8.277e-03 9.014e-03 / CHEB/ -8.413e-03 -1.019e-02 -4.407e-04 3.348e-03 /

2764.

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PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+7.4	+7.9	+8.0	+8.1
log₁₀(k(10 bar)/[mole,m,s])	+6.5	+7.4	+7.8	+8.0

Chebyshev(coeffs=[[13.125,-1.12048,-0.265914,0.0280417],[0.759374,0.717326,0.0307568,-0.0796121],[0.0631834,0.161754,0.0877949,-0.00809955],[0.0294856,0.0678601,0.038123,0.00948583],[0.027155,0.0492979,0.0189239,0.00522565],[0.0030598,0.0155067,0.0127453,0.00486262]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.04
S298 (cal/mol*K) = -0.69
G298 (kcal/mol) = -59.84

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(94); H(25), CH3(425); C7H10(18)+H(25)(+M)=>C6H8(94)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.312e+01 -1.120e+00 -2.659e-01 2.804e-02 / CHEB/ 7.594e-01 7.173e-01 3.076e-02 -7.961e-02 / CHEB/ 6.318e-02 1.618e-01 8.779e-02 -8.100e-03 / CHEB/ 2.949e-02 6.786e-02 3.812e-02 9.486e-03 / CHEB/ 2.715e-02 4.930e-02 1.892e-02 5.226e-03 / CHEB/ 3.060e-03 1.551e-02 1.275e-02 4.863e-03 /

2765.

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PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.9	+5.9	+5.3	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+5.5	+6.0	+5.8	+5.6

Chebyshev(coeffs=[[11.025,0.298501,-0.533621,-0.0336884],[0.0595474,0.799717,0.0831076,-0.0676425],[-0.277546,0.399109,0.163204,-0.00693144],[-0.188535,0.169848,0.0811805,0.0181556],[-0.0627065,0.038651,0.0181463,0.00942305],[-0.018495,-0.00462051,0.00373569,0.00283832]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -79.05
S298 (cal/mol*K) = -28.22
G298 (kcal/mol) = -70.64

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(500); H(25), C7H11(500); C7H10(18)+H(25)(+M)=>C7H11(500)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.102e+01 2.985e-01 -5.336e-01 -3.369e-02 / CHEB/ 5.955e-02 7.997e-01 8.311e-02 -6.764e-02 / CHEB/ -2.775e-01 3.991e-01 1.632e-01 -6.931e-03 / CHEB/ -1.885e-01 1.698e-01 8.118e-02 1.816e-02 / CHEB/ -6.271e-02 3.865e-02 1.815e-02 9.423e-03 / CHEB/ -1.849e-02 -4.621e-03 3.736e-03 2.838e-03 /

2766.

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PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.6	-3.4	+0.5	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-13.8	-3.5	+0.4	+2.6

Chebyshev(coeffs=[[-6.51499,-0.352788,-0.18789,-0.0581297],[14.3278,0.286424,0.135504,0.0256857],[0.536344,0.00954741,0.0161357,0.0145866],[0.172245,0.0190323,0.0100218,0.00354225],[0.0411309,0.0206167,0.011876,0.00446988],[0.000618528,0.00223335,0.00311837,0.00283161]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.36
S298 (cal/mol*K) = 11.01
G298 (kcal/mol) = 29.08

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H5(99); H(25), C3H6(579); C7H10(18)+H(25)(+M)=>C4H5(99)+C3H6(579)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.515e+00 -3.528e-01 -1.879e-01 -5.813e-02 / CHEB/ 1.433e+01 2.864e-01 1.355e-01 2.569e-02 / CHEB/ 5.363e-01 9.547e-03 1.614e-02 1.459e-02 / CHEB/ 1.722e-01 1.903e-02 1.002e-02 3.542e-03 / CHEB/ 4.113e-02 2.062e-02 1.188e-02 4.470e-03 / CHEB/ 6.185e-04 2.233e-03 3.118e-03 2.832e-03 /

2767.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+4.6	+5.4	+5.6
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+3.9	+5.0	+5.5

Chebyshev(coeffs=[[8.5267,-1.219,-0.380401,-0.0371634],[2.59625,0.603344,0.0817259,-0.0316563],[0.358155,0.155138,0.0546332,-0.00799845],[0.0383878,0.123466,0.0440637,0.00288055],[-0.0258649,0.0663528,0.0273843,0.00478555],[-0.0421873,0.00757593,0.0110282,0.00397406]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.71
S298 (cal/mol*K) = -3.07
G298 (kcal/mol) = -7.79

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(308); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(308)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.527e+00 -1.219e+00 -3.804e-01 -3.716e-02 / CHEB/ 2.596e+00 6.033e-01 8.173e-02 -3.166e-02 / CHEB/ 3.582e-01 1.551e-01 5.463e-02 -7.998e-03 / CHEB/ 3.839e-02 1.235e-01 4.406e-02 2.881e-03 / CHEB/ -2.586e-02 6.635e-02 2.738e-02 4.786e-03 / CHEB/ -4.219e-02 7.576e-03 1.103e-02 3.974e-03 /

2768.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+4.6	+4.8	+5.0
log₁₀(k(10 bar)/[mole,m,s])	+2.0	+3.7	+4.4	+4.8

Chebyshev(coeffs=[[9.12565,-2.21199,-0.484661,0.0228255],[1.63064,1.46866,0.119848,-0.0881105],[-0.011138,0.351013,0.124801,-0.02305],[0.000259596,0.0885619,0.0524366,0.0122762],[0.0342929,0.0216129,0.00532344,0.00715614],[0.00698723,-0.00950631,-0.00166981,2.86463e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -53.61
S298 (cal/mol*K) = -24.98
G298 (kcal/mol) = -46.16

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(309); H(25), C7H11(309); C7H10(65)+H(25)(+M)=>C7H11(309)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.126e+00 -2.212e+00 -4.847e-01 2.283e-02 / CHEB/ 1.631e+00 1.469e+00 1.198e-01 -8.811e-02 / CHEB/ -1.114e-02 3.510e-01 1.248e-01 -2.305e-02 / CHEB/ 2.596e-04 8.856e-02 5.244e-02 1.228e-02 / CHEB/ 3.429e-02 2.161e-02 5.323e-03 7.156e-03 / CHEB/ 6.987e-03 -9.506e-03 -1.670e-03 2.865e-05 /

2769.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+5.5	+5.9	+5.9
log₁₀(k(10 bar)/[mole,m,s])	+2.7	+4.6	+5.3	+5.7

Chebyshev(coeffs=[[9.54763,-1.79558,-0.602756,-0.0694658],[2.06434,0.991463,0.208804,-0.0377582],[0.119218,0.169381,0.0709796,0.00956562],[-0.00452797,0.140298,0.0438073,0.00364137],[-0.0183281,0.0960389,0.0366654,0.00380608],[-0.0418859,0.0197267,0.0184601,0.00548367]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -38.56
S298 (cal/mol*K) = -16.85
G298 (kcal/mol) = -33.53

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(310); H(25), C7H11(310); C7H10(65)+H(25)(+M)=>C7H11(310)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.548e+00 -1.796e+00 -6.028e-01 -6.947e-02 / CHEB/ 2.064e+00 9.915e-01 2.088e-01 -3.776e-02 / CHEB/ 1.192e-01 1.694e-01 7.098e-02 9.566e-03 / CHEB/ -4.528e-03 1.403e-01 4.381e-02 3.641e-03 / CHEB/ -1.833e-02 9.604e-02 3.667e-02 3.806e-03 / CHEB/ -4.189e-02 1.973e-02 1.846e-02 5.484e-03 /

2770.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.2	+2.6	+4.0	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-1.9	+2.1	+3.6	+4.4

Chebyshev(coeffs=[[5.13126,-1.01942,-0.379387,-0.0539667],[4.87202,0.497795,0.11064,-0.0210225],[0.400138,0.114603,0.0499697,0.00185408],[0.0152624,0.113069,0.0423056,0.00415062],[-0.036874,0.065475,0.027181,0.00393965],[-0.0413604,0.0081716,0.00959495,0.00378892]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.01
S298 (cal/mol*K) = -19.48
G298 (kcal/mol) = -22.20

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(311); H(25), C7H11(311); C7H10(65)+H(25)(+M)=>C7H11(311)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.131e+00 -1.019e+00 -3.794e-01 -5.397e-02 / CHEB/ 4.872e+00 4.978e-01 1.106e-01 -2.102e-02 / CHEB/ 4.001e-01 1.146e-01 4.997e-02 1.854e-03 / CHEB/ 1.526e-02 1.131e-01 4.231e-02 4.151e-03 / CHEB/ -3.687e-02 6.547e-02 2.718e-02 3.940e-03 / CHEB/ -4.136e-02 8.172e-03 9.595e-03 3.789e-03 /

2771.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.0	+4.2	+4.5	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+3.4	+4.0	+4.2

Chebyshev(coeffs=[[8.75145,-1.31974,-0.387095,-0.0324134],[1.50251,0.563465,0.0550747,-0.0317196],[0.0589266,0.178949,0.0434673,-0.0162622],[-0.0166802,0.142171,0.0424233,-0.00195731],[-0.029281,0.0728325,0.0278392,0.00389215],[-0.0418979,0.00920476,0.0121975,0.00393835]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -38.56
S298 (cal/mol*K) = -16.39
G298 (kcal/mol) = -33.67

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(312); H(25), C7H11(312); C7H10(65)+H(25)(+M)=>C7H11(312)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.751e+00 -1.320e+00 -3.871e-01 -3.241e-02 / CHEB/ 1.503e+00 5.635e-01 5.507e-02 -3.172e-02 / CHEB/ 5.893e-02 1.789e-01 4.347e-02 -1.626e-02 / CHEB/ -1.668e-02 1.422e-01 4.242e-02 -1.957e-03 / CHEB/ -2.928e-02 7.283e-02 2.784e-02 3.892e-03 / CHEB/ -4.190e-02 9.205e-03 1.220e-02 3.938e-03 /

2772.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.5	+4.7	+4.7	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+4.7	+5.1	+5.0

Chebyshev(coeffs=[[9.06635,0.0752899,-0.628604,-0.0667037],[1.20915,0.914709,0.175994,-0.0433633],[0.0112116,0.185812,0.0606289,0.00296311],[-0.083938,0.163302,0.040933,0.000386843],[-0.118163,0.10844,0.0366328,0.00249608],[-0.103011,0.0249539,0.0205722,0.00514941]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.01
S298 (cal/mol*K) = -19.48
G298 (kcal/mol) = -22.20

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(313); H(25), C7H11(313); C7H10(65)+H(25)(+M)=>C7H11(313)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.066e+00 7.529e-02 -6.286e-01 -6.670e-02 / CHEB/ 1.209e+00 9.147e-01 1.760e-01 -4.336e-02 / CHEB/ 1.121e-02 1.858e-01 6.063e-02 2.963e-03 / CHEB/ -8.394e-02 1.633e-01 4.093e-02 3.868e-04 / CHEB/ -1.182e-01 1.084e-01 3.663e-02 2.496e-03 / CHEB/ -1.030e-01 2.495e-02 2.057e-02 5.149e-03 /

2773.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.4	+5.2	+4.6	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+4.5	+4.9	+4.8	+4.5

Chebyshev(coeffs=[[10.2903,-0.558762,-0.582116,0.00197676],[0.0347322,1.22412,0.0516187,-0.0738054],[-0.453635,0.329617,0.0960115,-0.0242678],[-0.120394,0.129483,0.0506919,0.00760119],[-0.0451231,0.0647282,0.0124742,0.00619741],[-0.0635843,0.0258434,0.00413584,-0.00087774]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.26
S298 (cal/mol*K) = -25.10
G298 (kcal/mol) = -44.78

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(314); H(25), C7H11(314); C7H10(65)+H(25)(+M)=>C7H11(314)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.029e+01 -5.588e-01 -5.821e-01 1.977e-03 / CHEB/ 3.473e-02 1.224e+00 5.162e-02 -7.381e-02 / CHEB/ -4.536e-01 3.296e-01 9.601e-02 -2.427e-02 / CHEB/ -1.204e-01 1.295e-01 5.069e-02 7.601e-03 / CHEB/ -4.512e-02 6.473e-02 1.247e-02 6.197e-03 / CHEB/ -6.358e-02 2.584e-02 4.136e-03 -8.777e-04 /

2774.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.2	-1.9	+0.8	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-2.3	+0.6	+2.0

Chebyshev(coeffs=[[-3.59763,-0.509783,-0.266711,-0.0909647],[11.4189,0.127441,0.0623167,0.0255116],[0.173504,0.0889942,0.0384403,0.00466171],[0.0151451,0.105717,0.04636,0.00623285],[-0.0206922,0.0567367,0.027712,0.00578046],[-0.0254404,0.0048183,0.00582323,0.00380611]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.66
S298 (cal/mol*K) = 2.76
G298 (kcal/mol) = 33.84

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(315); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(315)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.598e+00 -5.098e-01 -2.667e-01 -9.096e-02 / CHEB/ 1.142e+01 1.274e-01 6.232e-02 2.551e-02 / CHEB/ 1.735e-01 8.899e-02 3.844e-02 4.662e-03 / CHEB/ 1.515e-02 1.057e-01 4.636e-02 6.233e-03 / CHEB/ -2.069e-02 5.674e-02 2.771e-02 5.780e-03 / CHEB/ -2.544e-02 4.818e-03 5.823e-03 3.806e-03 /

2775.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.7	-5.9	-1.4	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-19.8	-6.1	-1.6	+0.6

Chebyshev(coeffs=[[-12.6907,-0.234358,-0.133017,-0.0515772],[19.425,-0.0119062,-0.00976043,-0.00419107],[-0.0720752,0.0629927,0.0283691,0.00421428],[-0.0375172,0.0725387,0.0384642,0.0116973],[-0.0206319,0.0361587,0.0227512,0.00963698],[-0.0137156,0.00221494,0.00365633,0.00314458]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 62.54
S298 (cal/mol*K) = 14.28
G298 (kcal/mol) = 58.29

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(316); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(316)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.269e+01 -2.344e-01 -1.330e-01 -5.158e-02 / CHEB/ 1.943e+01 -1.191e-02 -9.760e-03 -4.191e-03 / CHEB/ -7.208e-02 6.299e-02 2.837e-02 4.214e-03 / CHEB/ -3.752e-02 7.254e-02 3.846e-02 1.170e-02 / CHEB/ -2.063e-02 3.616e-02 2.275e-02 9.637e-03 / CHEB/ -1.372e-02 2.215e-03 3.656e-03 3.145e-03 /

2776.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.6	-5.8	-1.5	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-19.7	-6.0	-1.6	+0.6

Chebyshev(coeffs=[[-12.6407,-0.232873,-0.132223,-0.051263],[19.3674,-0.0125798,-0.0101509,-0.0044205],[-0.107361,0.0630074,0.0283954,0.00424501],[-0.0446319,0.0722375,0.0383476,0.011703],[-0.0232654,0.0359548,0.0226675,0.00964224],[-0.0148161,0.00219731,0.00364261,0.00314026]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 62.54
S298 (cal/mol*K) = 14.74
G298 (kcal/mol) = 58.15

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(317); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(317)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.264e+01 -2.329e-01 -1.322e-01 -5.126e-02 / CHEB/ 1.937e+01 -1.258e-02 -1.015e-02 -4.421e-03 / CHEB/ -1.074e-01 6.301e-02 2.840e-02 4.245e-03 / CHEB/ -4.463e-02 7.224e-02 3.835e-02 1.170e-02 / CHEB/ -2.327e-02 3.595e-02 2.267e-02 9.642e-03 / CHEB/ -1.482e-02 2.197e-03 3.643e-03 3.140e-03 /

2777.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.0	-4.7	-1.1	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-5.0	-1.2	+0.6

Chebyshev(coeffs=[[-9.21395,-0.389785,-0.214074,-0.0785031],[15.7849,0.105468,0.0521321,0.0178001],[0.0393545,0.0544789,0.0257271,0.00574817],[-0.00825442,0.085439,0.0410978,0.00860531],[-0.0147601,0.0482907,0.0264117,0.0077174],[-0.0160286,0.00444823,0.00523188,0.00372937]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.84
S298 (cal/mol*K) = 6.03
G298 (kcal/mol) = 47.05

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(78); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(78)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.214e+00 -3.898e-01 -2.141e-01 -7.850e-02 / CHEB/ 1.578e+01 1.055e-01 5.213e-02 1.780e-02 / CHEB/ 3.935e-02 5.448e-02 2.573e-02 5.748e-03 / CHEB/ -8.254e-03 8.544e-02 4.110e-02 8.605e-03 / CHEB/ -1.476e-02 4.829e-02 2.641e-02 7.717e-03 / CHEB/ -1.603e-02 4.448e-03 5.232e-03 3.729e-03 /

2778.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.2	-9.0	-3.8	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-25.3	-9.1	-3.9	-1.3

Chebyshev(coeffs=[[-17.9542,-0.182765,-0.105699,-0.0416421],[22.7772,-0.0166954,-0.0129566,-0.00748576],[-0.05414,0.0541788,0.0248273,0.00383461],[-0.0325507,0.057525,0.0320868,0.0113137],[-0.0172212,0.0274517,0.018869,0.00959354],[-0.00974173,0.00153561,0.00301768,0.002892]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 73.09
S298 (cal/mol*K) = 11.65
G298 (kcal/mol) = 69.62

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(318); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(318)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.795e+01 -1.828e-01 -1.057e-01 -4.164e-02 / CHEB/ 2.278e+01 -1.670e-02 -1.296e-02 -7.486e-03 / CHEB/ -5.414e-02 5.418e-02 2.483e-02 3.835e-03 / CHEB/ -3.255e-02 5.752e-02 3.209e-02 1.131e-02 / CHEB/ -1.722e-02 2.745e-02 1.887e-02 9.594e-03 / CHEB/ -9.742e-03 1.536e-03 3.018e-03 2.892e-03 /

2779.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.4	-8.1	-2.9	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-24.6	-8.3	-3.0	-0.5

Chebyshev(coeffs=[[-17.2623,-0.232014,-0.138171,-0.0580498],[22.9085,0.00190451,-0.000763759,-0.00142788],[-0.0650738,0.0495055,0.0222472,0.00301133],[-0.0539433,0.0639847,0.0361397,0.0131839],[-0.0303611,0.0358539,0.0242212,0.012132],[-0.0182338,0.00577768,0.00569172,0.00413126]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 73.09
S298 (cal/mol*K) = 11.65
G298 (kcal/mol) = 69.62

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(319); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(319)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.726e+01 -2.320e-01 -1.382e-01 -5.805e-02 / CHEB/ 2.291e+01 1.905e-03 -7.638e-04 -1.428e-03 / CHEB/ -6.507e-02 4.951e-02 2.225e-02 3.011e-03 / CHEB/ -5.394e-02 6.398e-02 3.614e-02 1.318e-02 / CHEB/ -3.036e-02 3.585e-02 2.422e-02 1.213e-02 / CHEB/ -1.823e-02 5.778e-03 5.692e-03 4.131e-03 /

2780.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.9	-4.3	-0.3	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-17.0	-4.5	-0.5	+1.5

Chebyshev(coeffs=[[-10.0535,-0.267408,-0.150576,-0.0583341],[17.6873,-0.005019,-0.00525187,-0.000562153],[-0.0954351,0.0674346,0.0303793,0.00468001],[-0.0417685,0.0804498,0.0413955,0.0113718],[-0.0241662,0.0409022,0.0244395,0.00916665],[-0.0170152,0.00268149,0.00398839,0.00321534]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.47
S298 (cal/mol*K) = 13.42
G298 (kcal/mol) = 44.47

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C6H9(322); H(25), CH2(T)(82); C7H10(65)+H(25)(+M)=>CH2(T)(82)+C6H9(322)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.005e+01 -2.674e-01 -1.506e-01 -5.833e-02 / CHEB/ 1.769e+01 -5.019e-03 -5.252e-03 -5.622e-04 / CHEB/ -9.544e-02 6.743e-02 3.038e-02 4.680e-03 / CHEB/ -4.177e-02 8.045e-02 4.140e-02 1.137e-02 / CHEB/ -2.417e-02 4.090e-02 2.444e-02 9.167e-03 / CHEB/ -1.702e-02 2.681e-03 3.988e-03 3.215e-03 /

2781.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.7	-10.1	-4.7	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-26.8	-10.2	-4.7	-2.1

Chebyshev(coeffs=[[-19.4038,-0.17462,-0.101368,-0.0401722],[23.3733,-0.0139921,-0.0114273,-0.00705615],[0.00589738,0.0528987,0.0244713,0.00396645],[-0.0184015,0.0546152,0.0307818,0.0111519],[-0.0123748,0.0254813,0.0178701,0.00940774],[-0.00739037,0.00108203,0.00270312,0.00276443]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.29
S298 (cal/mol*K) = 8.31
G298 (kcal/mol) = 71.82

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(323); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(323)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.940e+01 -1.746e-01 -1.014e-01 -4.017e-02 / CHEB/ 2.337e+01 -1.399e-02 -1.143e-02 -7.056e-03 / CHEB/ 5.897e-03 5.290e-02 2.447e-02 3.966e-03 / CHEB/ -1.840e-02 5.462e-02 3.078e-02 1.115e-02 / CHEB/ -1.237e-02 2.548e-02 1.787e-02 9.408e-03 / CHEB/ -7.390e-03 1.082e-03 2.703e-03 2.764e-03 /

2804.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	+3.3	+4.7	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-2.2	+2.1	+3.9	+4.7

Chebyshev(coeffs=[[5.88401,-2.5091,-0.166209,0.0368401],[4.64917,1.25902,-0.236128,-0.0402795],[0.433871,0.307521,0.0466332,-0.0282869],[-0.00755563,0.19365,0.0239377,-0.00982975],[-0.103989,0.102817,0.0212981,-0.0101016],[-0.0903714,0.0216436,0.023174,-0.0044426]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.63
S298 (cal/mol*K) = 4.25
G298 (kcal/mol) = -2.89

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(580); H(25), C7H11(580); C7H10(1)+H(25)(+M)=>C7H11(580)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.884e+00 -2.509e+00 -1.662e-01 3.684e-02 / CHEB/ 4.649e+00 1.259e+00 -2.361e-01 -4.028e-02 / CHEB/ 4.339e-01 3.075e-01 4.663e-02 -2.829e-02 / CHEB/ -7.556e-03 1.937e-01 2.394e-02 -9.830e-03 / CHEB/ -1.040e-01 1.028e-01 2.130e-02 -1.010e-02 / CHEB/ -9.037e-02 2.164e-02 2.317e-02 -4.443e-03 /

2805.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.2	-3.0	+0.2	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-14.3	-3.9	-0.2	+1.5

Chebyshev(coeffs=[[-6.53839,-1.41818,-0.332094,0.0127249],[13.974,0.602237,0.0310418,-0.0444712],[0.170734,0.346444,0.0551718,-0.030942],[-0.000920463,0.199197,0.0500153,-0.00932722],[-0.0587814,0.0567759,0.0381754,0.00409682],[-0.0540072,-0.0111052,0.018456,0.00867268]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.00
S298 (cal/mol*K) = 34.38
G298 (kcal/mol) = 27.75

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(530); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(530)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.538e+00 -1.418e+00 -3.321e-01 1.272e-02 / CHEB/ 1.397e+01 6.022e-01 3.104e-02 -4.447e-02 / CHEB/ 1.707e-01 3.464e-01 5.517e-02 -3.094e-02 / CHEB/ -9.205e-04 1.992e-01 5.002e-02 -9.327e-03 / CHEB/ -5.878e-02 5.678e-02 3.818e-02 4.097e-03 / CHEB/ -5.401e-02 -1.111e-02 1.846e-02 8.673e-03 /

2806.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-0.8	+1.9	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-1.8	+1.4	+2.9

Chebyshev(coeffs=[[-2.26517,-1.68185,-0.318759,0.0157874],[10.8455,0.75412,0.00496439,-0.039205],[0.389011,0.373906,0.0390245,-0.0321552],[0.0278494,0.206952,0.0451775,-0.0126972],[-0.065597,0.0691484,0.0402434,-0.00107077],[-0.0617059,-0.0035253,0.022928,0.0061084]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.71
S298 (cal/mol*K) = 31.16
G298 (kcal/mol) = 12.43

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(153); H(25), H(25); C7H10(1)+H(25)(+M)=>C7H10(153)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.265e+00 -1.682e+00 -3.188e-01 1.579e-02 / CHEB/ 1.085e+01 7.541e-01 4.964e-03 -3.921e-02 / CHEB/ 3.890e-01 3.739e-01 3.902e-02 -3.216e-02 / CHEB/ 2.785e-02 2.070e-01 4.518e-02 -1.270e-02 / CHEB/ -6.560e-02 6.915e-02 4.024e-02 -1.071e-03 / CHEB/ -6.171e-02 -3.525e-03 2.293e-02 6.108e-03 /

2807.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	+0.2	+2.8	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-9.1	-0.7	+2.3	+3.6

Chebyshev(coeffs=[[-1.29323,-1.67282,-0.32522,0.0160178],[10.8953,0.690522,0.00162146,-0.0378942],[0.205048,0.369469,0.033275,-0.0325851],[-0.0106768,0.210017,0.0410293,-0.0136138],[-0.078021,0.0717829,0.0385051,-0.00217774],[-0.0679333,-0.00082902,0.0228637,0.00501364]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.66
S298 (cal/mol*K) = 47.59
G298 (kcal/mol) = 13.48

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(581); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(581)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.293e+00 -1.673e+00 -3.252e-01 1.602e-02 / CHEB/ 1.090e+01 6.905e-01 1.621e-03 -3.789e-02 / CHEB/ 2.050e-01 3.695e-01 3.328e-02 -3.259e-02 / CHEB/ -1.068e-02 2.100e-01 4.103e-02 -1.361e-02 / CHEB/ -7.802e-02 7.178e-02 3.851e-02 -2.178e-03 / CHEB/ -6.793e-02 -8.290e-04 2.286e-02 5.014e-03 /

2808.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.9	-3.1	-0.0	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-14.0	-4.0	-0.5	+1.1

Chebyshev(coeffs=[[-6.27818,-1.46263,-0.333218,0.0135289],[13.3869,0.597021,0.0233984,-0.0429735],[0.106089,0.349294,0.0489948,-0.0318404],[-0.018361,0.20366,0.0472293,-0.0108735],[-0.0668931,0.0614556,0.0381436,0.00242199],[-0.0589191,-0.00801244,0.0196491,0.00771337]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.67
S298 (cal/mol*K) = 13.68
G298 (kcal/mol) = -13.74

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(582); H(25), C7H11(582); C7H10(1)+H(25)(+M)=>C7H11(582)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.278e+00 -1.463e+00 -3.332e-01 1.353e-02 / CHEB/ 1.339e+01 5.970e-01 2.340e-02 -4.297e-02 / CHEB/ 1.061e-01 3.493e-01 4.899e-02 -3.184e-02 / CHEB/ -1.836e-02 2.037e-01 4.723e-02 -1.087e-02 / CHEB/ -6.689e-02 6.146e-02 3.814e-02 2.422e-03 / CHEB/ -5.892e-02 -8.012e-03 1.965e-02 7.713e-03 /

2809.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-0.9	+1.2	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-2.0	+0.6	+1.7

Chebyshev(coeffs=[[-1.07113,-1.88277,-0.312928,0.0227309],[8.75599,0.786037,-0.0246369,-0.0398229],[0.245992,0.377084,0.0198358,-0.0296691],[-0.0169358,0.209154,0.0335742,-0.0145289],[-0.0910561,0.0798444,0.0362465,-0.0061645],[-0.0771219,0.00635192,0.024351,0.00187808]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.91
S298 (cal/mol*K) = 8.61
G298 (kcal/mol) = -23.47

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(583); H(25), C7H11(583); C7H10(1)+H(25)(+M)=>C7H11(583)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.071e+00 -1.883e+00 -3.129e-01 2.273e-02 / CHEB/ 8.756e+00 7.860e-01 -2.464e-02 -3.982e-02 / CHEB/ 2.460e-01 3.771e-01 1.984e-02 -2.967e-02 / CHEB/ -1.694e-02 2.092e-01 3.357e-02 -1.453e-02 / CHEB/ -9.106e-02 7.984e-02 3.625e-02 -6.164e-03 / CHEB/ -7.712e-02 6.352e-03 2.435e-02 1.878e-03 /

2810.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-2.9	+0.0	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-13.1	-3.8	-0.5	+1.1

Chebyshev(coeffs=[[-5.40141,-1.53981,-0.329653,0.0140888],[12.4173,0.637905,0.0159025,-0.0405591],[0.169799,0.358762,0.0438796,-0.0326187],[-0.00910638,0.206437,0.0456915,-0.0119101],[-0.0689163,0.0648633,0.0387982,0.000881286],[-0.0613034,-0.00590558,0.0209825,0.00694737]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.83
S298 (cal/mol*K) = 11.63
G298 (kcal/mol) = -0.63

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(584); H(25), C7H11(584); C7H10(1)+H(25)(+M)=>C7H11(584)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.401e+00 -1.540e+00 -3.297e-01 1.409e-02 / CHEB/ 1.242e+01 6.379e-01 1.590e-02 -4.056e-02 / CHEB/ 1.698e-01 3.588e-01 4.388e-02 -3.262e-02 / CHEB/ -9.106e-03 2.064e-01 4.569e-02 -1.191e-02 / CHEB/ -6.892e-02 6.486e-02 3.880e-02 8.813e-04 / CHEB/ -6.130e-02 -5.906e-03 2.098e-02 6.947e-03 /

2811.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	+0.2	+2.4	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-0.8	+1.7	+2.9

Chebyshev(coeffs=[[0.666605,-1.99276,-0.291811,0.0282128],[7.95703,0.918337,-0.0466671,-0.0472332],[0.454773,0.373449,0.0259048,-0.0265201],[0.0154391,0.20727,0.0347285,-0.0141041],[-0.0842071,0.0834011,0.0366974,-0.0068965],[-0.0746958,0.00736263,0.0253875,0.00163372]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.03
S298 (cal/mol*K) = 11.21
G298 (kcal/mol) = 1.69

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(585); H(25), C7H11(585); C7H10(1)+H(25)(+M)=>C7H11(585)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.666e-01 -1.993e+00 -2.918e-01 2.821e-02 / CHEB/ 7.957e+00 9.183e-01 -4.667e-02 -4.723e-02 / CHEB/ 4.548e-01 3.734e-01 2.590e-02 -2.652e-02 / CHEB/ 1.544e-02 2.073e-01 3.473e-02 -1.410e-02 / CHEB/ -8.421e-02 8.340e-02 3.670e-02 -6.897e-03 / CHEB/ -7.470e-02 7.363e-03 2.539e-02 1.634e-03 /

2812.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.4	-10.9	-4.7	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-30.9	-11.3	-4.9	-1.9

Chebyshev(coeffs=[[-23.2525,-0.604064,-0.287234,-0.0619005],[27.6997,0.257718,0.10616,0.00653098],[-0.185881,0.182614,0.0786894,0.00861446],[-0.0652299,0.108383,0.0468262,0.00647156],[-0.043881,0.0120746,0.0127948,0.00893129],[-0.0307833,-0.0219374,-0.00298531,0.0058286]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.78
S298 (cal/mol*K) = 45.54
G298 (kcal/mol) = 75.21

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(306); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(306)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.325e+01 -6.041e-01 -2.872e-01 -6.190e-02 / CHEB/ 2.770e+01 2.577e-01 1.062e-01 6.531e-03 / CHEB/ -1.859e-01 1.826e-01 7.869e-02 8.614e-03 / CHEB/ -6.523e-02 1.084e-01 4.683e-02 6.472e-03 / CHEB/ -4.388e-02 1.207e-02 1.279e-02 8.931e-03 / CHEB/ -3.078e-02 -2.194e-02 -2.985e-03 5.829e-03 /

2813.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.6	-13.1	-6.2	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-35.0	-13.4	-6.3	-3.0

Chebyshev(coeffs=[[-27.2299,-0.484257,-0.250222,-0.0704564],[30.5543,0.203374,0.0957482,0.0171763],[-0.18363,0.15064,0.0716259,0.0139821],[-0.0647306,0.0923333,0.0433202,0.00850232],[-0.0407211,0.00832101,0.00911229,0.00706545],[-0.0273701,-0.020676,-0.00515964,0.00358564]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.28
S298 (cal/mol*K) = 46.19
G298 (kcal/mol) = 84.52

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(144); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(144)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.723e+01 -4.843e-01 -2.502e-01 -7.046e-02 / CHEB/ 3.055e+01 2.034e-01 9.575e-02 1.718e-02 / CHEB/ -1.836e-01 1.506e-01 7.163e-02 1.398e-02 / CHEB/ -6.473e-02 9.233e-02 4.332e-02 8.502e-03 / CHEB/ -4.072e-02 8.321e-03 9.112e-03 7.065e-03 / CHEB/ -2.737e-02 -2.068e-02 -5.160e-03 3.586e-03 /

2814.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.4	-9.4	-3.1	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-29.9	-9.7	-3.3	-0.2

Chebyshev(coeffs=[[-22.3224,-0.54559,-0.270318,-0.0668045],[28.5429,0.231452,0.101981,0.0121829],[-0.294703,0.167226,0.0756632,0.0114451],[-0.0972062,0.100623,0.0452562,0.00748844],[-0.053,0.0101099,0.0109332,0.00807771],[-0.0328772,-0.0214436,-0.00413333,0.00476732]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 92.61
S298 (cal/mol*K) = 57.13
G298 (kcal/mol) = 75.58

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(586); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(586)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.232e+01 -5.456e-01 -2.703e-01 -6.680e-02 / CHEB/ 2.854e+01 2.315e-01 1.020e-01 1.218e-02 / CHEB/ -2.947e-01 1.672e-01 7.566e-02 1.145e-02 / CHEB/ -9.721e-02 1.006e-01 4.526e-02 7.488e-03 / CHEB/ -5.300e-02 1.011e-02 1.093e-02 8.078e-03 / CHEB/ -3.288e-02 -2.144e-02 -4.133e-03 4.767e-03 /

2815.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.8	-8.1	-3.5	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-23.6	-8.7	-3.7	-1.4

Chebyshev(coeffs=[[-15.9189,-0.985013,-0.341725,-0.0143135],[20.6248,0.429871,0.0933158,-0.0358547],[-0.0192419,0.272814,0.0818706,-0.0129294],[-0.0250975,0.155101,0.0525856,-4.05654e-05],[-0.0434895,0.0288507,0.0264356,0.0110332],[-0.0379,-0.0214695,0.00661541,0.0101537]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 64.69
S298 (cal/mol*K) = 32.22
G298 (kcal/mol) = 55.09

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(57); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(57)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.592e+01 -9.850e-01 -3.417e-01 -1.431e-02 / CHEB/ 2.062e+01 4.299e-01 9.332e-02 -3.585e-02 / CHEB/ -1.924e-02 2.728e-01 8.187e-02 -1.293e-02 / CHEB/ -2.510e-02 1.551e-01 5.259e-02 -4.057e-05 / CHEB/ -4.349e-02 2.885e-02 2.644e-02 1.103e-02 / CHEB/ -3.790e-02 -2.147e-02 6.615e-03 1.015e-02 /

2816.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.8	-14.6	-7.4	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-37.1	-14.8	-7.5	-4.0

Chebyshev(coeffs=[[-29.3313,-0.451019,-0.238322,-0.0716668],[31.5726,0.187973,0.0915947,0.0193745],[-0.152015,0.141465,0.0690598,0.0151323],[-0.0556745,0.0877502,0.0421326,0.0090218],[-0.0368958,0.00746462,0.00818562,0.00647767],[-0.0253726,-0.0201474,-0.00563209,0.00292618]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 101.28
S298 (cal/mol*K) = 43.49
G298 (kcal/mol) = 88.33

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(140); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(140)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.933e+01 -4.510e-01 -2.383e-01 -7.167e-02 / CHEB/ 3.157e+01 1.880e-01 9.159e-02 1.937e-02 / CHEB/ -1.520e-01 1.415e-01 6.906e-02 1.513e-02 / CHEB/ -5.567e-02 8.775e-02 4.213e-02 9.022e-03 / CHEB/ -3.690e-02 7.465e-03 8.186e-03 6.478e-03 / CHEB/ -2.537e-02 -2.015e-02 -5.632e-03 2.926e-03 /

2817.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.8	-14.0	-6.7	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-37.1	-14.3	-6.8	-3.2

Chebyshev(coeffs=[[-29.2443,-0.428215,-0.229743,-0.0721419],[32.2986,0.177331,0.088428,0.0206416],[-0.130623,0.135106,0.0671456,0.0158157],[-0.0495348,0.0845593,0.0412557,0.00936203],[-0.0343071,0.00692162,0.00757561,0.00606277],[-0.0240107,-0.0197367,-0.00591903,0.00247029]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 103.48
S298 (cal/mol*K) = 43.07
G298 (kcal/mol) = 90.65

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(143); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(143)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.924e+01 -4.282e-01 -2.297e-01 -7.214e-02 / CHEB/ 3.230e+01 1.773e-01 8.843e-02 2.064e-02 / CHEB/ -1.306e-01 1.351e-01 6.715e-02 1.582e-02 / CHEB/ -4.953e-02 8.456e-02 4.126e-02 9.362e-03 / CHEB/ -3.431e-02 6.922e-03 7.576e-03 6.063e-03 / CHEB/ -2.401e-02 -1.974e-02 -5.919e-03 2.470e-03 /

2818.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-1.2	+1.1	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-2.2	+0.5	+1.7

Chebyshev(coeffs=[[-1.54225,-1.84698,-0.313655,0.0212273],[9.15311,0.787973,-0.0188461,-0.0397599],[0.298696,0.377269,0.0238984,-0.030204],[-0.00281184,0.209454,0.0362122,-0.0143631],[-0.0841824,0.0785337,0.0374076,-0.00527],[-0.0735936,0.00461538,0.0243587,0.00276188]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.92
S298 (cal/mol*K) = 5.52
G298 (kcal/mol) = -6.56

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(587); H(25), C7H11(587); C7H10(1)+H(25)(+M)=>C7H11(587)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.542e+00 -1.847e+00 -3.137e-01 2.123e-02 / CHEB/ 9.153e+00 7.880e-01 -1.885e-02 -3.976e-02 / CHEB/ 2.987e-01 3.773e-01 2.390e-02 -3.020e-02 / CHEB/ -2.812e-03 2.095e-01 3.621e-02 -1.436e-02 / CHEB/ -8.418e-02 7.853e-02 3.741e-02 -5.270e-03 / CHEB/ -7.359e-02 4.615e-03 2.436e-02 2.762e-03 /

2819.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.9	-1.5	+1.2	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-2.5	+0.6	+2.0

Chebyshev(coeffs=[[-3.30102,-1.63835,-0.326606,0.0153903],[11.2742,0.6754,0.00524109,-0.0383091],[0.193054,0.367002,0.0358187,-0.0327571],[-0.0108953,0.209495,0.0421931,-0.0132783],[-0.0759577,0.0701799,0.0386498,-0.00143948],[-0.0663744,-0.00207591,0.0224517,0.00550814]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.06
S298 (cal/mol*K) = 12.23
G298 (kcal/mol) = -10.70

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(588); H(25), C7H11(588); C7H10(1)+H(25)(+M)=>C7H11(588)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.301e+00 -1.638e+00 -3.266e-01 1.539e-02 / CHEB/ 1.127e+01 6.754e-01 5.241e-03 -3.831e-02 / CHEB/ 1.931e-01 3.670e-01 3.582e-02 -3.276e-02 / CHEB/ -1.090e-02 2.095e-01 4.219e-02 -1.328e-02 / CHEB/ -7.596e-02 7.018e-02 3.865e-02 -1.439e-03 / CHEB/ -6.637e-02 -2.076e-03 2.245e-02 5.508e-03 /

2820.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.3	-13.0	-5.6	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-36.6	-13.2	-5.6	-2.0

Chebyshev(coeffs=[[-28.8233,-0.38293,-0.211692,-0.0721302],[33.1681,0.156099,0.0813971,0.0225],[-0.232467,0.12228,0.0629486,0.0168907],[-0.0800181,0.0780859,0.039348,0.00998575],[-0.043277,0.00594951,0.00642993,0.00522068],[-0.0262647,-0.018798,-0.00639201,0.00156624]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.63
S298 (cal/mol*K) = 55.43
G298 (kcal/mol) = 82.11

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H6(450); H(25), C3H5(129); C7H10(1)+H(25)(+M)=>C3H5(129)+C4H6(450)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.882e+01 -3.829e-01 -2.117e-01 -7.213e-02 / CHEB/ 3.317e+01 1.561e-01 8.140e-02 2.250e-02 / CHEB/ -2.325e-01 1.223e-01 6.295e-02 1.689e-02 / CHEB/ -8.002e-02 7.809e-02 3.935e-02 9.986e-03 / CHEB/ -4.328e-02 5.950e-03 6.430e-03 5.221e-03 / CHEB/ -2.626e-02 -1.880e-02 -6.392e-03 1.566e-03 /

2821.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.7	-9.6	-3.5	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-29.2	-10.0	-3.7	-0.7

Chebyshev(coeffs=[[-21.5689,-0.638735,-0.296229,-0.0584635],[27.1198,0.273003,0.107802,0.00287732],[-0.147308,0.191554,0.0801141,0.00678149],[-0.0539731,0.112938,0.0476414,0.00584965],[-0.0410664,0.0133631,0.013953,0.00937691],[-0.0304546,-0.0221243,-0.00223282,0.00641946]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.42
S298 (cal/mol*K) = 47.48
G298 (kcal/mol) = 64.27

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H6(304); H(25), C3H5(98); C7H10(1)+H(25)(+M)=>C3H5(98)+C4H6(304)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.157e+01 -6.387e-01 -2.962e-01 -5.846e-02 / CHEB/ 2.712e+01 2.730e-01 1.078e-01 2.877e-03 / CHEB/ -1.473e-01 1.916e-01 8.011e-02 6.781e-03 / CHEB/ -5.397e-02 1.129e-01 4.764e-02 5.850e-03 / CHEB/ -4.107e-02 1.336e-02 1.395e-02 9.377e-03 / CHEB/ -3.045e-02 -2.212e-02 -2.233e-03 6.419e-03 /

2822.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.8	-16.6	-9.1	-5.4
log₁₀(k(10 bar)/[mole,m,s])	-40.2	-16.8	-9.1	-5.4

Chebyshev(coeffs=[[-32.2185,-0.404355,-0.220057,-0.0718838],[32.956,0.173022,0.0879792,0.0222252],[-0.0666849,0.12795,0.0651291,0.0168104],[-0.0326688,0.079501,0.0396817,0.00980337],[-0.029249,0.00521086,0.006451,0.00557284],[-0.0212904,-0.0197091,-0.00650468,0.00182514]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 105.13
S298 (cal/mol*K) = 37.24
G298 (kcal/mol) = 94.04

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(589); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(589)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.222e+01 -4.044e-01 -2.201e-01 -7.188e-02 / CHEB/ 3.296e+01 1.730e-01 8.798e-02 2.223e-02 / CHEB/ -6.668e-02 1.279e-01 6.513e-02 1.681e-02 / CHEB/ -3.267e-02 7.950e-02 3.968e-02 9.803e-03 / CHEB/ -2.925e-02 5.211e-03 6.451e-03 5.573e-03 / CHEB/ -2.129e-02 -1.971e-02 -6.505e-03 1.825e-03 /

2845.

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PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.8	+5.3	+6.1	+6.6
log₁₀(k(10 bar)/[mole,m,s])	+3.0	+4.9	+5.9	+6.6

Chebyshev(coeffs=[[9.95625,-1.10009,-0.31072,-0.0132758],[1.97281,0.794824,0.107474,-0.0394339],[0.450089,0.146753,0.090136,-0.00512525],[0.122894,0.0499741,0.0389206,0.0160717],[0.0415548,0.0336364,0.01496,0.00853116],[0.00318196,0.00566684,0.00702385,0.00361331]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -37.93
S298 (cal/mol*K) = -7.85
G298 (kcal/mol) = -35.60

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(590); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(590)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.956e+00 -1.100e+00 -3.107e-01 -1.328e-02 / CHEB/ 1.973e+00 7.948e-01 1.075e-01 -3.943e-02 / CHEB/ 4.501e-01 1.468e-01 9.014e-02 -5.125e-03 / CHEB/ 1.229e-01 4.997e-02 3.892e-02 1.607e-02 / CHEB/ 4.155e-02 3.364e-02 1.496e-02 8.531e-03 / CHEB/ 3.182e-03 5.667e-03 7.024e-03 3.613e-03 /

2846.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+3.6	+4.4	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+3.2	+4.2	+4.8

Chebyshev(coeffs=[[8.23735,-1.09475,-0.30119,-0.00610882],[1.98786,0.801406,0.0987608,-0.0490018],[0.419084,0.12702,0.086275,-0.00369361],[0.112591,0.0457897,0.0363087,0.0158552],[0.0437558,0.0374561,0.0160285,0.00803743],[0.00197809,0.00806747,0.00823581,0.0038686]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.01
S298 (cal/mol*K) = -26.08
G298 (kcal/mol) = -60.24

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(591); H(25), C7H11(591); C7H10(18)+H(25)(+M)=>C7H11(591)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.237e+00 -1.095e+00 -3.012e-01 -6.109e-03 / CHEB/ 1.988e+00 8.014e-01 9.876e-02 -4.900e-02 / CHEB/ 4.191e-01 1.270e-01 8.628e-02 -3.694e-03 / CHEB/ 1.126e-01 4.579e-02 3.631e-02 1.586e-02 / CHEB/ 4.376e-02 3.746e-02 1.603e-02 8.037e-03 / CHEB/ 1.978e-03 8.067e-03 8.236e-03 3.869e-03 /

2847.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.6	+4.1	+4.8	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+1.8	+3.7	+4.6	+5.2

Chebyshev(coeffs=[[8.71592,-1.11432,-0.309582,-0.00836096],[1.94701,0.812553,0.102608,-0.0489113],[0.415868,0.126778,0.085648,-0.00352836],[0.100713,0.0462325,0.0359989,0.0152449],[0.0275522,0.0389327,0.0167484,0.00814207],[-0.00289589,0.00894958,0.00891038,0.0042445]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.01
S298 (cal/mol*K) = -26.08
G298 (kcal/mol) = -60.24

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(592); H(25), C7H11(592); C7H10(18)+H(25)(+M)=>C7H11(592)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.716e+00 -1.114e+00 -3.096e-01 -8.361e-03 / CHEB/ 1.947e+00 8.126e-01 1.026e-01 -4.891e-02 / CHEB/ 4.159e-01 1.268e-01 8.565e-02 -3.528e-03 / CHEB/ 1.007e-01 4.623e-02 3.600e-02 1.524e-02 / CHEB/ 2.755e-02 3.893e-02 1.675e-02 8.142e-03 / CHEB/ -2.896e-03 8.950e-03 8.910e-03 4.244e-03 /

2848.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.1	+4.3	+4.3	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+4.2	+4.7	+4.9	+4.9

Chebyshev(coeffs=[[9.76555,0.623739,-0.417368,-0.0429206],[0.13917,0.895677,0.153681,-0.0170116],[0.0444447,0.119973,0.056487,-0.0184392],[0.0321437,0.0765441,0.0351129,0.00433048],[-0.0443391,0.0714368,0.0295814,0.00885687],[-0.0682214,0.0249095,0.0176374,0.00651767]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -88.81
S298 (cal/mol*K) = -28.26
G298 (kcal/mol) = -80.39

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(405); H(25), C7H11(405); C7H10(18)+H(25)(+M)=>C7H11(405)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.766e+00 6.237e-01 -4.174e-01 -4.292e-02 / CHEB/ 1.392e-01 8.957e-01 1.537e-01 -1.701e-02 / CHEB/ 4.444e-02 1.200e-01 5.649e-02 -1.844e-02 / CHEB/ 3.214e-02 7.654e-02 3.511e-02 4.330e-03 / CHEB/ -4.434e-02 7.144e-02 2.958e-02 8.857e-03 / CHEB/ -6.822e-02 2.491e-02 1.764e-02 6.518e-03 /

2849.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+3.0	+5.0	+6.2
log₁₀(k(10 bar)/[mole,m,s])	-1.8	+2.7	+4.9	+6.2

Chebyshev(coeffs=[[5.70598,-0.897037,-0.287658,-0.0189858],[5.25179,0.761858,0.146126,-0.040768],[0.973468,0.0510556,0.0791747,0.0171002],[0.191049,0.0173204,0.0191486,0.0177166],[0.0464663,0.0272994,0.00962959,0.00468995],[0.0015953,0.00387251,0.00551862,0.00252464]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.75
S298 (cal/mol*K) = 7.29
G298 (kcal/mol) = -2.92

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(593); H(25), CH3(425); C7H10(18)+H(25)(+M)=>C6H8(593)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.706e+00 -8.970e-01 -2.877e-01 -1.899e-02 / CHEB/ 5.252e+00 7.619e-01 1.461e-01 -4.077e-02 / CHEB/ 9.735e-01 5.106e-02 7.917e-02 1.710e-02 / CHEB/ 1.910e-01 1.732e-02 1.915e-02 1.772e-02 / CHEB/ 4.647e-02 2.730e-02 9.630e-03 4.690e-03 / CHEB/ 1.595e-03 3.873e-03 5.519e-03 2.525e-03 /

2850.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	-0.3	+1.8	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-5.7	-0.6	+1.7	+3.0

Chebyshev(coeffs=[[1.6443,-0.822033,-0.29388,-0.0292129],[6.34087,0.681377,0.159886,-0.0328325],[0.838844,0.0491199,0.0707132,0.0222324],[0.157417,0.0222407,0.0183658,0.015441],[0.0304267,0.0288253,0.0111935,0.00392937],[-0.00364579,0.00381004,0.00533963,0.00262265]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.99
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = 8.80

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(594); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(594)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.644e+00 -8.220e-01 -2.939e-01 -2.921e-02 / CHEB/ 6.341e+00 6.814e-01 1.599e-01 -3.283e-02 / CHEB/ 8.388e-01 4.912e-02 7.071e-02 2.223e-02 / CHEB/ 1.574e-01 2.224e-02 1.837e-02 1.544e-02 / CHEB/ 3.043e-02 2.883e-02 1.119e-02 3.929e-03 / CHEB/ -3.646e-03 3.810e-03 5.340e-03 2.623e-03 /

2851.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	-0.7	+1.3	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-5.8	-1.0	+1.2	+2.5

Chebyshev(coeffs=[[1.60082,-0.888151,-0.307676,-0.0296066],[5.7931,0.741275,0.165285,-0.0331881],[0.885297,0.0592732,0.0807475,0.0226619],[0.168644,0.0256141,0.0205644,0.0163672],[0.0383614,0.0259058,0.00920463,0.00375959],[0.000525771,0.000761095,0.00397175,0.00224201]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.30
S298 (cal/mol*K) = -7.15
G298 (kcal/mol) = 6.43

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(595); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(595)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.601e+00 -8.882e-01 -3.077e-01 -2.961e-02 / CHEB/ 5.793e+00 7.413e-01 1.653e-01 -3.319e-02 / CHEB/ 8.853e-01 5.927e-02 8.075e-02 2.266e-02 / CHEB/ 1.686e-01 2.561e-02 2.056e-02 1.637e-02 / CHEB/ 3.836e-02 2.591e-02 9.205e-03 3.760e-03 / CHEB/ 5.258e-04 7.611e-04 3.972e-03 2.242e-03 /

2852.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.2	+4.0	+4.3	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+2.3	+3.5	+4.1	+4.4

Chebyshev(coeffs=[[9.00405,-1.14333,-0.307011,-0.00311679],[1.15332,0.781115,0.0847883,-0.0493872],[0.173573,0.144848,0.0825548,-0.0094999],[0.0485045,0.0619942,0.0394337,0.0127169],[0.0246997,0.0455045,0.0192316,0.00773908],[-0.00211248,0.0111031,0.0101455,0.00426281]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -64.68
S298 (cal/mol*K) = -31.85
G298 (kcal/mol) = -55.19

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(596); H(25), C7H11(596); C7H10(18)+H(25)(+M)=>C7H11(596)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.004e+00 -1.143e+00 -3.070e-01 -3.117e-03 / CHEB/ 1.153e+00 7.811e-01 8.479e-02 -4.939e-02 / CHEB/ 1.736e-01 1.448e-01 8.255e-02 -9.500e-03 / CHEB/ 4.850e-02 6.199e-02 3.943e-02 1.272e-02 / CHEB/ 2.470e-02 4.550e-02 1.923e-02 7.739e-03 / CHEB/ -2.112e-03 1.110e-02 1.015e-02 4.263e-03 /

2853.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	+0.5	+3.5	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-7.2	+0.3	+3.5	+5.2

Chebyshev(coeffs=[[0.248384,-0.589108,-0.259308,-0.048363],[9.88564,0.495106,0.172917,-0.00178393],[0.843514,0.0298587,0.0427402,0.0236616],[0.214445,0.0168975,0.0114558,0.00898423],[0.0448059,0.0221965,0.0106896,0.00325858],[-0.00103323,0.00181869,0.00370463,0.00285677]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.54
S298 (cal/mol*K) = 13.35
G298 (kcal/mol) = 10.57

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H6(598); H(25), C3H5(597); C7H10(18)+H(25)(+M)=>C3H5(597)+C4H6(598)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.484e-01 -5.891e-01 -2.593e-01 -4.836e-02 / CHEB/ 9.886e+00 4.951e-01 1.729e-01 -1.784e-03 / CHEB/ 8.435e-01 2.986e-02 4.274e-02 2.366e-02 / CHEB/ 2.144e-01 1.690e-02 1.146e-02 8.984e-03 / CHEB/ 4.481e-02 2.220e-02 1.069e-02 3.259e-03 / CHEB/ -1.033e-03 1.819e-03 3.705e-03 2.857e-03 /

2854.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-1.4	+0.7	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-1.7	+0.6	+1.9

Chebyshev(coeffs=[[0.939625,-0.854351,-0.288583,-0.0229966],[5.79988,0.71954,0.152754,-0.0372314],[0.909888,0.0472828,0.0734063,0.019153],[0.172367,0.018784,0.0178354,0.016171],[0.036119,0.0279776,0.0104264,0.00432184],[-0.0017661,0.00422175,0.00572181,0.00272313]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.30
S298 (cal/mol*K) = -7.15
G298 (kcal/mol) = 6.43

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(599); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(599)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.396e-01 -8.544e-01 -2.886e-01 -2.300e-02 / CHEB/ 5.800e+00 7.195e-01 1.528e-01 -3.723e-02 / CHEB/ 9.099e-01 4.728e-02 7.341e-02 1.915e-02 / CHEB/ 1.724e-01 1.878e-02 1.784e-02 1.617e-02 / CHEB/ 3.612e-02 2.798e-02 1.043e-02 4.322e-03 / CHEB/ -1.766e-03 4.222e-03 5.722e-03 2.723e-03 /

2855.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+2.4	+2.5	+2.5
log₁₀(k(10 bar)/[mole,m,s])	+1.0	+1.8	+2.2	+2.4

Chebyshev(coeffs=[[7.57412,-1.17202,-0.309941,-0.00133509],[0.762919,0.764444,0.0761657,-0.0488518],[0.0232773,0.153759,0.0794483,-0.0126716],[0.00894983,0.0723995,0.0404978,0.010487],[0.018095,0.0513485,0.020878,0.00713786],[-0.00233135,0.0135903,0.0113452,0.00425692]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.50
S298 (cal/mol*K) = -33.68
G298 (kcal/mol) = -59.46

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(600); H(25), C7H11(600); C7H10(18)+H(25)(+M)=>C7H11(600)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.574e+00 -1.172e+00 -3.099e-01 -1.335e-03 / CHEB/ 7.629e-01 7.644e-01 7.617e-02 -4.885e-02 / CHEB/ 2.328e-02 1.538e-01 7.945e-02 -1.267e-02 / CHEB/ 8.950e-03 7.240e-02 4.050e-02 1.049e-02 / CHEB/ 1.809e-02 5.135e-02 2.088e-02 7.138e-03 / CHEB/ -2.331e-03 1.359e-02 1.135e-02 4.257e-03 /

2856.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+3.9	+3.9	+3.8
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+3.4	+3.6	+3.7

Chebyshev(coeffs=[[9.26079,-1.18851,-0.311925,-0.000323737],[0.4949,0.753778,0.0713244,-0.048564],[-0.066904,0.157741,0.0774001,-0.0143824],[-0.012066,0.0783867,0.0408434,0.00916325],[0.0170986,0.0551892,0.021779,0.00669125],[-0.00174165,0.0153372,0.0120891,0.00421063]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -109.77
S298 (cal/mol*K) = -47.35
G298 (kcal/mol) = -95.66

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(601); H(25), C7H11(601); C7H10(18)+H(25)(+M)=>C7H11(601)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.261e+00 -1.189e+00 -3.119e-01 -3.237e-04 / CHEB/ 4.949e-01 7.538e-01 7.132e-02 -4.856e-02 / CHEB/ -6.690e-02 1.577e-01 7.740e-02 -1.438e-02 / CHEB/ -1.207e-02 7.839e-02 4.084e-02 9.163e-03 / CHEB/ 1.710e-02 5.519e-02 2.178e-02 6.691e-03 / CHEB/ -1.742e-03 1.534e-02 1.209e-02 4.211e-03 /

2857.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-3.1	+0.6	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-3.2	+0.5	+2.6

Chebyshev(coeffs=[[-5.69427,-0.394162,-0.206817,-0.0624237],[13.4666,0.307778,0.141453,0.0245666],[0.563283,0.0249456,0.025204,0.0170119],[0.176551,0.0218338,0.0122635,0.00526836],[0.0362784,0.0190934,0.0108957,0.00409233],[-0.00460362,0.000744494,0.00241978,0.00261948]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.42
S298 (cal/mol*K) = 10.17
G298 (kcal/mol) = 26.39

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H7(602); H(25), C2H4(603); C7H10(18)+H(25)(+M)=>C2H4(603)+C5H7(602)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.694e+00 -3.942e-01 -2.068e-01 -6.242e-02 / CHEB/ 1.347e+01 3.078e-01 1.415e-01 2.457e-02 / CHEB/ 5.633e-01 2.495e-02 2.520e-02 1.701e-02 / CHEB/ 1.766e-01 2.183e-02 1.226e-02 5.268e-03 / CHEB/ 3.628e-02 1.909e-02 1.090e-02 4.092e-03 / CHEB/ -4.604e-03 7.445e-04 2.420e-03 2.619e-03 /

2877.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+2.6	+4.2	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-3.5	+1.7	+3.7	+4.7

Chebyshev(coeffs=[[4.60039,-2.67849,-0.400524,0.0427872],[5.7176,1.98783,0.0629442,-0.108441],[0.39872,0.340236,0.095569,-0.00137569],[0.0283339,0.0443196,0.0441881,0.00538486],[0.01114,0.0145062,0.0248322,0.00214803],[-0.0197752,0.0145305,0.0145916,0.00187466]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.86
S298 (cal/mol*K) = 25.87
G298 (kcal/mol) = -8.57

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(604); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(604)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.600e+00 -2.678e+00 -4.005e-01 4.279e-02 / CHEB/ 5.718e+00 1.988e+00 6.294e-02 -1.084e-01 / CHEB/ 3.987e-01 3.402e-01 9.557e-02 -1.376e-03 / CHEB/ 2.833e-02 4.432e-02 4.419e-02 5.385e-03 / CHEB/ 1.114e-02 1.451e-02 2.483e-02 2.148e-03 / CHEB/ -1.978e-02 1.453e-02 1.459e-02 1.875e-03 /

2878.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	+2.2	+3.8	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-4.2	+1.3	+3.4	+4.4

Chebyshev(coeffs=[[3.84816,-2.56433,-0.419346,0.035574],[6.17672,1.89844,0.0892981,-0.101535],[0.40003,0.325177,0.0935564,-0.00036013],[0.0299389,0.0407027,0.0444226,0.00334363],[0.00661652,0.0178702,0.0243187,0.0032041],[-0.022247,0.0161899,0.014004,0.00263796]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.32
S298 (cal/mol*K) = 27.20
G298 (kcal/mol) = -3.78

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(93); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(93)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.848e+00 -2.564e+00 -4.193e-01 3.557e-02 / CHEB/ 6.177e+00 1.898e+00 8.930e-02 -1.015e-01 / CHEB/ 4.000e-01 3.252e-01 9.356e-02 -3.601e-04 / CHEB/ 2.994e-02 4.070e-02 4.442e-02 3.344e-03 / CHEB/ 6.617e-03 1.787e-02 2.432e-02 3.204e-03 / CHEB/ -2.225e-02 1.619e-02 1.400e-02 2.638e-03 /

2879.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	+2.8	+4.5	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+1.9	+4.0	+5.1

Chebyshev(coeffs=[[4.25565,-2.48215,-0.435348,0.0294764],[6.46553,1.8111,0.10847,-0.0941934],[0.35706,0.321928,0.0897398,-0.00172187],[0.0219669,0.0409622,0.0440461,0.00230361],[-6.98048e-05,0.0213681,0.0234915,0.00383797],[-0.0247687,0.0173602,0.013729,0.00273219]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.32
S298 (cal/mol*K) = 42.26
G298 (kcal/mol) = -7.27

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(605); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(605)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.256e+00 -2.482e+00 -4.353e-01 2.948e-02 / CHEB/ 6.466e+00 1.811e+00 1.085e-01 -9.419e-02 / CHEB/ 3.571e-01 3.219e-01 8.974e-02 -1.722e-03 / CHEB/ 2.197e-02 4.096e-02 4.405e-02 2.304e-03 / CHEB/ -6.980e-05 2.137e-02 2.349e-02 3.838e-03 / CHEB/ -2.477e-02 1.736e-02 1.373e-02 2.732e-03 /

2880.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	+2.1	+3.7	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+1.2	+3.2	+4.3

Chebyshev(coeffs=[[3.71062,-2.55101,-0.425013,0.0346196],[6.1908,1.86751,0.0933596,-0.0999971],[0.360855,0.327696,0.0908577,-0.00100567],[0.0187083,0.0425382,0.0438607,0.00284298],[0.00164994,0.0194937,0.0239068,0.00316942],[-0.0238549,0.0167287,0.0139665,0.00242312]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.34
S298 (cal/mol*K) = 1.05
G298 (kcal/mol) = -44.65

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(606); H(25), C7H11(606); C7H10(1)+H(25)(+M)=>C7H11(606)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.711e+00 -2.551e+00 -4.250e-01 3.462e-02 / CHEB/ 6.191e+00 1.868e+00 9.336e-02 -1.000e-01 / CHEB/ 3.609e-01 3.277e-01 9.086e-02 -1.006e-03 / CHEB/ 1.871e-02 4.254e-02 4.386e-02 2.843e-03 / CHEB/ 1.650e-03 1.949e-02 2.391e-02 3.169e-03 / CHEB/ -2.385e-02 1.673e-02 1.397e-02 2.423e-03 /

2881.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	+0.1	+2.1	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-0.7	+1.7	+2.9

Chebyshev(coeffs=[[0.691155,-2.16764,-0.468129,0.0047666],[7.83213,1.5691,0.163536,-0.0652963],[0.36778,0.28848,0.0924156,-0.00753315],[0.045738,0.0406804,0.0424422,0.00373724],[-0.00357026,0.0284064,0.0215212,0.0064702],[-0.0260702,0.0179004,0.0130952,0.00363416]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.15
S298 (cal/mol*K) = 6.92
G298 (kcal/mol) = -20.21

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(607); H(25), C7H11(607); C7H10(1)+H(25)(+M)=>C7H11(607)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.912e-01 -2.168e+00 -4.681e-01 4.767e-03 / CHEB/ 7.832e+00 1.569e+00 1.635e-01 -6.530e-02 / CHEB/ 3.678e-01 2.885e-01 9.242e-02 -7.533e-03 / CHEB/ 4.574e-02 4.068e-02 4.244e-02 3.737e-03 / CHEB/ -3.570e-03 2.841e-02 2.152e-02 6.470e-03 / CHEB/ -2.607e-02 1.790e-02 1.310e-02 3.634e-03 /

2882.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	+3.0	+4.2	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-2.7	+2.0	+3.7	+4.6

Chebyshev(coeffs=[[5.41248,-2.86134,-0.376328,0.0528104],[4.9057,2.07629,0.0243784,-0.114849],[0.303483,0.381364,0.0909824,-0.00675331],[0.00497868,0.0571065,0.0434576,0.00896953],[0.0103452,0.0127752,0.0240176,0.00110792],[-0.0172703,0.0119787,0.0152497,-0.00039409]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.95
S298 (cal/mol*K) = 6.50
G298 (kcal/mol) = -17.88

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(608); H(25), C7H11(608); C7H10(1)+H(25)(+M)=>C7H11(608)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.412e+00 -2.861e+00 -3.763e-01 5.281e-02 / CHEB/ 4.906e+00 2.076e+00 2.438e-02 -1.148e-01 / CHEB/ 3.035e-01 3.814e-01 9.098e-02 -6.753e-03 / CHEB/ 4.979e-03 5.711e-02 4.346e-02 8.970e-03 / CHEB/ 1.035e-02 1.278e-02 2.402e-02 1.108e-03 / CHEB/ -1.727e-02 1.198e-02 1.525e-02 -3.941e-04 /

2883.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.4	-3.9	+0.6	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-18.7	-4.1	+0.5	+2.7

Chebyshev(coeffs=[[-11.6922,-0.479829,-0.265629,-0.092256],[20.7346,0.233201,0.12137,0.0349921],[-0.270528,0.0840571,0.046963,0.0163791],[-0.0775623,0.0721224,0.0357298,0.0085682],[-0.0316667,0.033223,0.0184359,0.00628225],[-0.0181922,0.00259913,0.00391105,0.00354463]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.87
S298 (cal/mol*K) = 55.67
G298 (kcal/mol) = 50.28

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(609); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(609)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.169e+01 -4.798e-01 -2.656e-01 -9.226e-02 / CHEB/ 2.073e+01 2.332e-01 1.214e-01 3.499e-02 / CHEB/ -2.705e-01 8.406e-02 4.696e-02 1.638e-02 / CHEB/ -7.756e-02 7.212e-02 3.573e-02 8.568e-03 / CHEB/ -3.167e-02 3.322e-02 1.844e-02 6.282e-03 / CHEB/ -1.819e-02 2.599e-03 3.911e-03 3.545e-03 /

2884.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-4.5	-1.1	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-15.3	-5.0	-1.3	+0.5

Chebyshev(coeffs=[[-7.9702,-1.07523,-0.438887,-0.068877],[14.191,0.675738,0.21977,0.00228677],[0.239794,0.164577,0.0827076,0.0118933],[0.0554177,0.082467,0.0353631,0.00613455],[-0.00108942,0.0412847,0.0195869,0.00556357],[-0.0165187,0.00709772,0.00875934,0.00510356]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.26
S298 (cal/mol*K) = 26.04
G298 (kcal/mol) = 33.51

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(381); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(381)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.970e+00 -1.075e+00 -4.389e-01 -6.888e-02 / CHEB/ 1.419e+01 6.757e-01 2.198e-01 2.287e-03 / CHEB/ 2.398e-01 1.646e-01 8.271e-02 1.189e-02 / CHEB/ 5.542e-02 8.247e-02 3.536e-02 6.135e-03 / CHEB/ -1.089e-03 4.128e-02 1.959e-02 5.564e-03 / CHEB/ -1.652e-02 7.098e-03 8.759e-03 5.104e-03 /

2885.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.9	-7.4	-2.4	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-23.2	-7.6	-2.5	+0.0

Chebyshev(coeffs=[[-15.9687,-0.460356,-0.257355,-0.0915389],[22.1022,0.22174,0.117147,0.0352978],[-0.0643703,0.080895,0.0453895,0.0160645],[-0.016956,0.0704379,0.0352613,0.00875713],[-0.011249,0.0323127,0.0181326,0.00635195],[-0.0106302,0.00244907,0.00373027,0.00342137]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.75
S298 (cal/mol*K) = 41.41
G298 (kcal/mol) = 57.41

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(376); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(376)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.597e+01 -4.604e-01 -2.574e-01 -9.154e-02 / CHEB/ 2.210e+01 2.217e-01 1.171e-01 3.530e-02 / CHEB/ -6.437e-02 8.090e-02 4.539e-02 1.606e-02 / CHEB/ -1.696e-02 7.044e-02 3.526e-02 8.757e-03 / CHEB/ -1.125e-02 3.231e-02 1.813e-02 6.352e-03 / CHEB/ -1.063e-02 2.449e-03 3.730e-03 3.421e-03 /

2886.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.3	-7.2	-2.4	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-22.6	-7.5	-2.5	-0.1

Chebyshev(coeffs=[[-15.3764,-0.486577,-0.268447,-0.0924574],[21.4158,0.237346,0.12287,0.0348603],[-0.0872837,0.0850365,0.0474578,0.016479],[-0.0240779,0.0726691,0.035875,0.00850271],[-0.0140323,0.0335353,0.0185385,0.00625764],[-0.0120699,0.00265098,0.00397236,0.00358515]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.70
S298 (cal/mol*K) = 41.87
G298 (kcal/mol) = 55.23

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(128); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(128)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.538e+01 -4.866e-01 -2.684e-01 -9.246e-02 / CHEB/ 2.142e+01 2.373e-01 1.229e-01 3.486e-02 / CHEB/ -8.728e-02 8.504e-02 4.746e-02 1.648e-02 / CHEB/ -2.408e-02 7.267e-02 3.587e-02 8.503e-03 / CHEB/ -1.403e-02 3.354e-02 1.854e-02 6.258e-03 / CHEB/ -1.207e-02 2.651e-03 3.972e-03 3.585e-03 /

2887.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.5	-7.9	-2.8	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-23.8	-8.2	-2.9	-0.3

Chebyshev(coeffs=[[-16.4749,-0.462571,-0.258079,-0.0913683],[22.1635,0.228957,0.120338,0.0357213],[-0.00853028,0.0810154,0.0456715,0.0163315],[0.0176939,0.0691987,0.0347361,0.00873554],[0.0160816,0.0311028,0.0176121,0.00630717],[-0.00254449,0.00186363,0.00346991,0.00338965]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.30
S298 (cal/mol*K) = 38.46
G298 (kcal/mol) = 57.84

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(59); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(59)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.647e+01 -4.626e-01 -2.581e-01 -9.137e-02 / CHEB/ 2.216e+01 2.290e-01 1.203e-01 3.572e-02 / CHEB/ -8.530e-03 8.102e-02 4.567e-02 1.633e-02 / CHEB/ 1.769e-02 6.920e-02 3.474e-02 8.736e-03 / CHEB/ 1.608e-02 3.110e-02 1.761e-02 6.307e-03 / CHEB/ -2.544e-03 1.864e-03 3.470e-03 3.390e-03 /

2888.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.6	-10.8	-4.9	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-28.8	-10.9	-5.0	-2.1

Chebyshev(coeffs=[[-21.3978,-0.337744,-0.200761,-0.0823067],[25.3798,0.152596,0.088477,0.0340572],[-0.0573899,0.0607171,0.0349571,0.0133362],[-0.0156003,0.0577026,0.0310938,0.0097563],[-0.00907752,0.0255769,0.0154806,0.00648359],[-0.00755131,0.00161413,0.00259436,0.00252604]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.30
S298 (cal/mol*K) = 38.78
G298 (kcal/mol) = 68.75

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(379); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(379)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.140e+01 -3.377e-01 -2.008e-01 -8.231e-02 / CHEB/ 2.538e+01 1.526e-01 8.848e-02 3.406e-02 / CHEB/ -5.739e-02 6.072e-02 3.496e-02 1.334e-02 / CHEB/ -1.560e-02 5.770e-02 3.109e-02 9.756e-03 / CHEB/ -9.078e-03 2.558e-02 1.548e-02 6.484e-03 / CHEB/ -7.551e-03 1.614e-03 2.594e-03 2.526e-03 /

2889.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.6	-10.2	-4.2	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-28.8	-10.4	-4.3	-1.2

Chebyshev(coeffs=[[-21.2841,-0.317845,-0.190797,-0.07992],[26.0941,0.141871,0.0834643,0.0332463],[-0.0405802,0.0574065,0.0331947,0.0127978],[-0.0106271,0.0552729,0.0301833,0.0098455],[-0.00724529,0.0243194,0.0149097,0.00642526],[-0.00654186,0.00149733,0.00241291,0.00236562]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.50
S298 (cal/mol*K) = 38.36
G298 (kcal/mol) = 71.07

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(53); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(53)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.128e+01 -3.178e-01 -1.908e-01 -7.992e-02 / CHEB/ 2.609e+01 1.419e-01 8.346e-02 3.325e-02 / CHEB/ -4.058e-02 5.741e-02 3.319e-02 1.280e-02 / CHEB/ -1.063e-02 5.527e-02 3.018e-02 9.846e-03 / CHEB/ -7.245e-03 2.432e-02 1.491e-02 6.425e-03 / CHEB/ -6.542e-03 1.497e-03 2.413e-03 2.366e-03 /

2890.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.2	+2.8	+4.2	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+1.9	+3.7	+4.7

Chebyshev(coeffs=[[4.9359,-2.73453,-0.39738,0.0461313],[5.42955,1.99372,0.0514549,-0.110529],[0.327998,0.352325,0.0920512,-0.00303286],[0.00467809,0.0507154,0.0427513,0.00582581],[0.00458278,0.0156823,0.0242089,0.00148627],[-0.0212246,0.0145599,0.0147266,0.000922703]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.53
S298 (cal/mol*K) = 15.43
G298 (kcal/mol) = -17.12

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(610); H(25), C7H11(610); C7H10(1)+H(25)(+M)=>C7H11(610)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.936e+00 -2.735e+00 -3.974e-01 4.613e-02 / CHEB/ 5.430e+00 1.994e+00 5.145e-02 -1.105e-01 / CHEB/ 3.280e-01 3.523e-01 9.205e-02 -3.033e-03 / CHEB/ 4.678e-03 5.072e-02 4.275e-02 5.826e-03 / CHEB/ 4.583e-03 1.568e-02 2.421e-02 1.486e-03 / CHEB/ -2.122e-02 1.456e-02 1.473e-02 9.227e-04 /

2891.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.6	-12.8	-6.5	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-31.8	-12.9	-6.6	-3.5

Chebyshev(coeffs=[[-24.2284,-0.297338,-0.180134,-0.0769617],[26.7476,0.137492,0.0816996,0.0333015],[0.0204772,0.0535401,0.0312832,0.0123627],[0.00426957,0.0513693,0.0285291,0.00976696],[-0.00361112,0.0218751,0.0137317,0.00621552],[-0.00461828,0.000735433,0.00188076,0.00209381]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 84.15
S298 (cal/mol*K) = 32.53
G298 (kcal/mol) = 74.46

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(611); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(611)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.423e+01 -2.973e-01 -1.801e-01 -7.696e-02 / CHEB/ 2.675e+01 1.375e-01 8.170e-02 3.330e-02 / CHEB/ 2.048e-02 5.354e-02 3.128e-02 1.236e-02 / CHEB/ 4.270e-03 5.137e-02 2.853e-02 9.767e-03 / CHEB/ -3.611e-03 2.188e-02 1.373e-02 6.216e-03 / CHEB/ -4.618e-03 7.354e-04 1.881e-03 2.094e-03 /

2914.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.9	+3.6	+3.5	+3.2
log₁₀(k(10 bar)/[mole,m,s])	+2.6	+3.8	+4.1	+4.0

Chebyshev(coeffs=[[8.49756,0.306689,-0.520831,-0.0246635],[0.663492,0.921793,0.150802,-0.0427569],[0.0964742,0.352411,0.131788,-0.0207278],[-0.114309,0.14378,0.0629251,0.0094733],[-0.0958162,0.0436792,0.0215785,0.0108916],[-0.0363627,0.00164281,0.00869211,0.00525168]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -82.48
S298 (cal/mol*K) = -36.74
G298 (kcal/mol) = -71.53

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(469); H(25), C7H11(469); C7H10(18)+H(25)(+M)=>C7H11(469)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.498e+00 3.067e-01 -5.208e-01 -2.466e-02 / CHEB/ 6.635e-01 9.218e-01 1.508e-01 -4.276e-02 / CHEB/ 9.647e-02 3.524e-01 1.318e-01 -2.073e-02 / CHEB/ -1.143e-01 1.438e-01 6.293e-02 9.473e-03 / CHEB/ -9.582e-02 4.368e-02 2.158e-02 1.089e-02 / CHEB/ -3.636e-02 1.643e-03 8.692e-03 5.252e-03 /

2915.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+1.1	+1.8	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-1.4	+0.5	+1.5	+2.1

Chebyshev(coeffs=[[5.67757,-1.51391,-0.488464,-0.0354803],[1.83619,1.03358,0.201009,-0.0419568],[0.432058,0.2865,0.142163,-0.000720422],[0.0983388,0.0759118,0.0540666,0.0222098],[0.0102841,0.0137538,0.0117879,0.0123124],[-0.0140778,-0.00751581,0.00265851,0.00374188]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -90.97
S298 (cal/mol*K) = -38.44
G298 (kcal/mol) = -79.51

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(612); H(25), C7H11(612); C7H10(18)+H(25)(+M)=>C7H11(612)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.678e+00 -1.514e+00 -4.885e-01 -3.548e-02 / CHEB/ 1.836e+00 1.034e+00 2.010e-01 -4.196e-02 / CHEB/ 4.321e-01 2.865e-01 1.422e-01 -7.204e-04 / CHEB/ 9.834e-02 7.591e-02 5.407e-02 2.221e-02 / CHEB/ 1.028e-02 1.375e-02 1.179e-02 1.231e-02 / CHEB/ -1.408e-02 -7.516e-03 2.659e-03 3.742e-03 /

2916.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.4	+6.4	+6.9	+7.1
log₁₀(k(10 bar)/[mole,m,s])	+4.2	+5.8	+6.6	+7.1

Chebyshev(coeffs=[[11.1665,-1.54349,-0.492437,-0.0329989],[1.44965,1.00604,0.184237,-0.0459766],[0.340586,0.318156,0.150523,-0.00126828],[0.0864202,0.0907285,0.0586455,0.0210374],[0.0110377,0.0147117,0.0125256,0.0123169],[-0.0128727,-0.00847587,0.00290532,0.00417991]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.75
S298 (cal/mol*K) = 6.76
G298 (kcal/mol) = -46.76

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H5(99); H(25), C3H6(613); C7H10(18)+H(25)(+M)=>C4H5(99)+C3H6(613)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.117e+01 -1.543e+00 -4.924e-01 -3.300e-02 / CHEB/ 1.450e+00 1.006e+00 1.842e-01 -4.598e-02 / CHEB/ 3.406e-01 3.182e-01 1.505e-01 -1.268e-03 / CHEB/ 8.642e-02 9.073e-02 5.865e-02 2.104e-02 / CHEB/ 1.104e-02 1.471e-02 1.253e-02 1.232e-02 / CHEB/ -1.287e-02 -8.476e-03 2.905e-03 4.180e-03 /

2917.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	+1.0	+3.5	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+0.7	+3.4	+4.8

Chebyshev(coeffs=[[1.31413,-0.848438,-0.395155,-0.0907269],[8.7334,0.641463,0.239648,0.0113052],[0.605935,0.120509,0.0957607,0.0435271],[0.135184,0.0418839,0.0252042,0.0139092],[0.0109117,0.0112025,0.00559812,0.00248707],[-0.0146197,-0.00981677,-0.00182969,0.00165981]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.61
S298 (cal/mol*K) = 16.75
G298 (kcal/mol) = 15.62

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H5(99); H(25), C3H6(614); C7H10(18)+H(25)(+M)=>C4H5(99)+C3H6(614)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.314e+00 -8.484e-01 -3.952e-01 -9.073e-02 / CHEB/ 8.733e+00 6.415e-01 2.396e-01 1.131e-02 / CHEB/ 6.059e-01 1.205e-01 9.576e-02 4.353e-02 / CHEB/ 1.352e-01 4.188e-02 2.520e-02 1.391e-02 / CHEB/ 1.091e-02 1.120e-02 5.598e-03 2.487e-03 / CHEB/ -1.462e-02 -9.817e-03 -1.830e-03 1.660e-03 /

2918.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.6	-1.3	+2.1	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-1.5	+2.0	+3.9

Chebyshev(coeffs=[[-3.75703,-0.530767,-0.289959,-0.0979089],[13.0461,0.391892,0.190907,0.0436923],[0.428695,0.0646874,0.0503275,0.0288797],[0.129112,0.0401157,0.0226223,0.00905602],[0.0150064,0.0129812,0.00788459,0.00342396],[-0.0145594,-0.00804373,-0.00241112,0.00103369]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.44
S298 (cal/mol*K) = 19.74
G298 (kcal/mol) = 31.56

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H8(615); H(25), C2H3(100); C7H10(18)+H(25)(+M)=>C2H3(100)+C5H8(615)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.757e+00 -5.308e-01 -2.900e-01 -9.791e-02 / CHEB/ 1.305e+01 3.919e-01 1.909e-01 4.369e-02 / CHEB/ 4.287e-01 6.469e-02 5.033e-02 2.888e-02 / CHEB/ 1.291e-01 4.012e-02 2.262e-02 9.056e-03 / CHEB/ 1.501e-02 1.298e-02 7.885e-03 3.424e-03 / CHEB/ -1.456e-02 -8.044e-03 -2.411e-03 1.034e-03 /

2919.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-1.2	+1.6	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-1.5	+1.5	+3.1

Chebyshev(coeffs=[[-1.21731,-0.847448,-0.388952,-0.0853885],[9.34362,0.66546,0.247053,0.0114818],[0.793287,0.0998097,0.08403,0.0380692],[0.1887,0.0357018,0.0223739,0.0135684],[0.0271864,0.0129966,0.00687758,0.00331027],[-0.0104828,-0.00782447,-0.00077472,0.00190509]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.09
S298 (cal/mol*K) = 2.62
G298 (kcal/mol) = 19.31

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(118); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(118)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.217e+00 -8.474e-01 -3.890e-01 -8.539e-02 / CHEB/ 9.344e+00 6.655e-01 2.471e-01 1.148e-02 / CHEB/ 7.933e-01 9.981e-02 8.403e-02 3.807e-02 / CHEB/ 1.887e-01 3.570e-02 2.237e-02 1.357e-02 / CHEB/ 2.719e-02 1.300e-02 6.878e-03 3.310e-03 / CHEB/ -1.048e-02 -7.824e-03 -7.747e-04 1.905e-03 /

2920.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-3.2	+0.2	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-3.4	+0.2	+2.1

Chebyshev(coeffs=[[-4.82956,-0.649885,-0.333148,-0.0964158],[11.9748,0.49452,0.218675,0.033972],[0.684703,0.0778448,0.0625779,0.0338193],[0.189458,0.0390424,0.0223248,0.0101646],[0.0314327,0.0131411,0.00763135,0.00321393],[-0.00926499,-0.00816965,-0.00184472,0.00152301]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.49
S298 (cal/mol*K) = 3.30
G298 (kcal/mol) = 30.51

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(120); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(120)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.830e+00 -6.499e-01 -3.331e-01 -9.642e-02 / CHEB/ 1.197e+01 4.945e-01 2.187e-01 3.397e-02 / CHEB/ 6.847e-01 7.784e-02 6.258e-02 3.382e-02 / CHEB/ 1.895e-01 3.904e-02 2.232e-02 1.016e-02 / CHEB/ 3.143e-02 1.314e-02 7.631e-03 3.214e-03 / CHEB/ -9.265e-03 -8.170e-03 -1.845e-03 1.523e-03 /

2921.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.3	+5.1	+5.5	+5.6
log₁₀(k(10 bar)/[mole,m,s])	+3.1	+4.5	+5.2	+5.5

Chebyshev(coeffs=[[9.98482,-1.57386,-0.498869,-0.031858],[1.21384,1.01033,0.187443,-0.042349],[0.243554,0.315108,0.140559,-0.0081352],[0.0605574,0.0975973,0.0586233,0.0187807],[0.00507204,0.0204902,0.0153798,0.0128148],[-0.0147299,-0.0066104,0.00429926,0.00459166]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.17
S298 (cal/mol*K) = -33.22
G298 (kcal/mol) = -62.27

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(616); H(25), C7H11(616); C7H10(18)+H(25)(+M)=>C7H11(616)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.985e+00 -1.574e+00 -4.989e-01 -3.186e-02 / CHEB/ 1.214e+00 1.010e+00 1.874e-01 -4.235e-02 / CHEB/ 2.436e-01 3.151e-01 1.406e-01 -8.135e-03 / CHEB/ 6.056e-02 9.760e-02 5.862e-02 1.878e-02 / CHEB/ 5.072e-03 2.049e-02 1.538e-02 1.281e-02 / CHEB/ -1.473e-02 -6.610e-03 4.299e-03 4.592e-03 /

2922.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.5	+5.7	+5.6	+5.4
log₁₀(k(10 bar)/[mole,m,s])	+4.4	+5.0	+5.3	+5.3

Chebyshev(coeffs=[[11.0679,-1.37339,-0.369738,0.0169116],[0.277026,0.729976,0.0494189,-0.0740835],[-0.0174735,0.32297,0.1212,-0.0253336],[-0.00173205,0.125812,0.0617624,0.0110782],[-0.0128035,0.0239174,0.0162413,0.0122111],[-0.0179308,-0.00475603,0.00636776,0.00597546]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -109.88
S298 (cal/mol*K) = -47.90
G298 (kcal/mol) = -95.60

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(489); H(25), C7H11(489); C7H10(18)+H(25)(+M)=>C7H11(489)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.107e+01 -1.373e+00 -3.697e-01 1.691e-02 / CHEB/ 2.770e-01 7.300e-01 4.942e-02 -7.408e-02 / CHEB/ -1.747e-02 3.230e-01 1.212e-01 -2.533e-02 / CHEB/ -1.732e-03 1.258e-01 6.176e-02 1.108e-02 / CHEB/ -1.280e-02 2.392e-02 1.624e-02 1.221e-02 / CHEB/ -1.793e-02 -4.756e-03 6.368e-03 5.975e-03 /

2923.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.6	+5.3	+5.5	+5.5
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+4.6	+5.1	+5.4

Chebyshev(coeffs=[[10.2087,-1.58947,-0.50168,-0.0309347],[0.986539,1.00225,0.183582,-0.042356],[0.174704,0.32146,0.139716,-0.010026],[0.0431765,0.10362,0.0595732,0.0177156],[0.00117853,0.0228836,0.0163374,0.0127939],[-0.0156936,-0.00606101,0.00482374,0.00477789]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -67.51
S298 (cal/mol*K) = -30.31
G298 (kcal/mol) = -58.48

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(617); H(25), C7H11(617); C7H10(18)+H(25)(+M)=>C7H11(617)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.021e+01 -1.589e+00 -5.017e-01 -3.093e-02 / CHEB/ 9.865e-01 1.002e+00 1.836e-01 -4.236e-02 / CHEB/ 1.747e-01 3.215e-01 1.397e-01 -1.003e-02 / CHEB/ 4.318e-02 1.036e-01 5.957e-02 1.772e-02 / CHEB/ 1.179e-03 2.288e-02 1.634e-02 1.279e-02 / CHEB/ -1.569e-02 -6.061e-03 4.824e-03 4.778e-03 /

2924.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.9	+1.7	+3.8	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+1.3	+3.7	+4.9

Chebyshev(coeffs=[[3.69564,-1.12769,-0.437557,-0.0622158],[6.15606,0.899219,0.249875,-0.0217321],[0.88644,0.134739,0.11559,0.0342807],[0.162053,0.0334132,0.0269622,0.0205125],[0.0204246,0.0124096,0.00536189,0.00474227],[-0.0117211,-0.00712039,0.000571345,0.00190207]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = 8.04
G298 (kcal/mol) = -4.17

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H7(210); H(25), C2H4(603); C7H10(18)+H(25)(+M)=>C5H7(210)+C2H4(603)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.696e+00 -1.128e+00 -4.376e-01 -6.222e-02 / CHEB/ 6.156e+00 8.992e-01 2.499e-01 -2.173e-02 / CHEB/ 8.864e-01 1.347e-01 1.156e-01 3.428e-02 / CHEB/ 1.621e-01 3.341e-02 2.696e-02 2.051e-02 / CHEB/ 2.042e-02 1.241e-02 5.362e-03 4.742e-03 / CHEB/ -1.172e-02 -7.120e-03 5.713e-04 1.902e-03 /

2925.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.3	-2.1	+1.2	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-2.3	+1.1	+2.9

Chebyshev(coeffs=[[-3.46247,-0.68205,-0.343566,-0.0952265],[11.4544,0.522345,0.224819,0.0307199],[0.691291,0.0814168,0.0659752,0.0348537],[0.186696,0.0385767,0.0222554,0.0105979],[0.0296659,0.0131382,0.00753365,0.00318684],[-0.0099247,-0.00814934,-0.001677,0.00161925]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.86
S298 (cal/mol*K) = 8.50
G298 (kcal/mol) = 18.33

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(618); H(25), CH3(425); C7H10(18)+H(25)(+M)=>C6H8(618)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.462e+00 -6.820e-01 -3.436e-01 -9.523e-02 / CHEB/ 1.145e+01 5.223e-01 2.248e-01 3.072e-02 / CHEB/ 6.913e-01 8.142e-02 6.598e-02 3.485e-02 / CHEB/ 1.867e-01 3.858e-02 2.226e-02 1.060e-02 / CHEB/ 2.967e-02 1.314e-02 7.534e-03 3.187e-03 / CHEB/ -9.925e-03 -8.149e-03 -1.677e-03 1.619e-03 /

2926.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.8	-5.7	-2.1	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-15.2	-5.9	-2.2	-0.2

Chebyshev(coeffs=[[-7.7383,-0.609832,-0.318348,-0.0964495],[12.6086,0.471073,0.214478,0.0380092],[0.734908,0.0687828,0.0571092,0.0327328],[0.202606,0.0367205,0.0209413,0.00939119],[0.0355533,0.0122096,0.00717118,0.0030117],[-0.00764138,-0.0084166,-0.00224516,0.0012463]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.14
S298 (cal/mol*K) = -3.22
G298 (kcal/mol) = 34.10

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(619); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(619)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.738e+00 -6.098e-01 -3.183e-01 -9.645e-02 / CHEB/ 1.261e+01 4.711e-01 2.145e-01 3.801e-02 / CHEB/ 7.349e-01 6.878e-02 5.711e-02 3.273e-02 / CHEB/ 2.026e-01 3.672e-02 2.094e-02 9.391e-03 / CHEB/ 3.555e-02 1.221e-02 7.171e-03 3.012e-03 / CHEB/ -7.641e-03 -8.417e-03 -2.245e-03 1.246e-03 /

2958.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+1.5	+2.9	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-2.1	+1.0	+2.7	+3.7

Chebyshev(coeffs=[[5.37967,-1.44982,-0.477043,-0.0388877],[3.20348,1.04333,0.211814,-0.0415954],[0.851615,0.259258,0.144959,0.00821199],[0.190122,0.0582143,0.0489759,0.0247941],[0.0260671,0.00895786,0.00809149,0.011074],[-0.0111501,-0.00835538,0.00122416,0.00288356]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.40
S298 (cal/mol*K) = -11.53
G298 (kcal/mol) = -20.97

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(620); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(620)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.380e+00 -1.450e+00 -4.770e-01 -3.889e-02 / CHEB/ 3.203e+00 1.043e+00 2.118e-01 -4.160e-02 / CHEB/ 8.516e-01 2.593e-01 1.450e-01 8.212e-03 / CHEB/ 1.901e-01 5.821e-02 4.898e-02 2.479e-02 / CHEB/ 2.607e-02 8.958e-03 8.091e-03 1.107e-02 / CHEB/ -1.115e-02 -8.355e-03 1.224e-03 2.884e-03 /

2959.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.2	+2.1	+3.1	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+1.5	+2.9	+3.7

Chebyshev(coeffs=[[6.30964,-1.50926,-0.486475,-0.0351187],[2.49091,1.03375,0.200342,-0.0426874],[0.682744,0.292315,0.145888,0.000872079],[0.165178,0.0756634,0.054559,0.0227009],[0.0233424,0.0118098,0.0111283,0.0123755],[-0.011695,-0.00870953,0.00217165,0.00374462]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.68
S298 (cal/mol*K) = -34.55
G298 (kcal/mol) = -51.38

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(621); H(25), C7H11(621); C7H10(18)+H(25)(+M)=>C7H11(621)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.310e+00 -1.509e+00 -4.865e-01 -3.512e-02 / CHEB/ 2.491e+00 1.034e+00 2.003e-01 -4.269e-02 / CHEB/ 6.827e-01 2.923e-01 1.459e-01 8.721e-04 / CHEB/ 1.652e-01 7.566e-02 5.456e-02 2.270e-02 / CHEB/ 2.334e-02 1.181e-02 1.113e-02 1.238e-02 / CHEB/ -1.169e-02 -8.710e-03 2.172e-03 3.745e-03 /

2960.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.7	+0.5	+1.8	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-2.9	-0.0	+1.5	+2.4

Chebyshev(coeffs=[[4.52139,-1.47053,-0.481173,-0.037933],[2.92223,1.03644,0.206503,-0.0423597],[0.764344,0.268592,0.144667,0.00559825],[0.173119,0.0644842,0.0508156,0.0239252],[0.0269699,0.0108283,0.00933316,0.0114096],[-0.011292,-0.00782905,0.00179389,0.00318056]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.68
S298 (cal/mol*K) = -34.55
G298 (kcal/mol) = -51.38

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(622); H(25), C7H11(622); C7H10(18)+H(25)(+M)=>C7H11(622)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.521e+00 -1.471e+00 -4.812e-01 -3.793e-02 / CHEB/ 2.922e+00 1.036e+00 2.065e-01 -4.236e-02 / CHEB/ 7.643e-01 2.686e-01 1.447e-01 5.598e-03 / CHEB/ 1.731e-01 6.448e-02 5.082e-02 2.393e-02 / CHEB/ 2.697e-02 1.083e-02 9.333e-03 1.141e-02 / CHEB/ -1.129e-02 -7.829e-03 1.794e-03 3.181e-03 /

2961.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+3.4	+3.7	+3.9
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+2.6	+3.4	+3.8

Chebyshev(coeffs=[[8.19629,-1.61669,-0.506201,-0.0290031],[1.22678,0.980021,0.17307,-0.0434916],[0.281733,0.336532,0.140529,-0.0123011],[0.067428,0.116122,0.0616729,0.0157553],[0.00329602,0.0275979,0.0178637,0.0125153],[-0.0169623,-0.00492289,0.00577025,0.00508875]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -87.28
S298 (cal/mol*K) = -40.05
G298 (kcal/mol) = -75.35

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(623); H(25), C7H11(623); C7H10(18)+H(25)(+M)=>C7H11(623)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.196e+00 -1.617e+00 -5.062e-01 -2.900e-02 / CHEB/ 1.227e+00 9.800e-01 1.731e-01 -4.349e-02 / CHEB/ 2.817e-01 3.365e-01 1.405e-01 -1.230e-02 / CHEB/ 6.743e-02 1.161e-01 6.167e-02 1.576e-02 / CHEB/ 3.296e-03 2.760e-02 1.786e-02 1.252e-02 / CHEB/ -1.696e-02 -4.923e-03 5.770e-03 5.089e-03 /

2962.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+3.4	+3.8	+3.9
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+2.6	+3.4	+3.8

Chebyshev(coeffs=[[8.16279,-1.61225,-0.505391,-0.0292727],[1.28952,0.982892,0.174246,-0.0435328],[0.293182,0.335084,0.140866,-0.0117977],[0.0731488,0.114217,0.0614406,0.0161003],[0.00796373,0.0265443,0.0175602,0.0125811],[-0.0154465,-0.0052446,0.00558473,0.00505442]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -74.18
S298 (cal/mol*K) = -31.12
G298 (kcal/mol) = -64.91

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(624); H(25), C7H11(624); C7H10(18)+H(25)(+M)=>C7H11(624)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.163e+00 -1.612e+00 -5.054e-01 -2.927e-02 / CHEB/ 1.290e+00 9.829e-01 1.742e-01 -4.353e-02 / CHEB/ 2.932e-01 3.351e-01 1.409e-01 -1.180e-02 / CHEB/ 7.315e-02 1.142e-01 6.144e-02 1.610e-02 / CHEB/ 7.964e-03 2.654e-02 1.756e-02 1.258e-02 / CHEB/ -1.545e-02 -5.245e-03 5.585e-03 5.054e-03 /

2963.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+2.1	+2.6	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+1.4	+2.2	+2.7

Chebyshev(coeffs=[[6.89037,-1.60654,-0.50395,-0.0294279],[1.36898,0.988244,0.176478,-0.0433626],[0.328281,0.334843,0.141822,-0.0111003],[0.0815111,0.112488,0.0614461,0.0166104],[0.00667502,0.0252817,0.0172614,0.0127365],[-0.0155084,-0.00593878,0.00529906,0.00505592]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.58
S298 (cal/mol*K) = -32.64
G298 (kcal/mol) = -59.85

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(625); H(25), C7H11(625); C7H10(18)+H(25)(+M)=>C7H11(625)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.890e+00 -1.607e+00 -5.039e-01 -2.943e-02 / CHEB/ 1.369e+00 9.882e-01 1.765e-01 -4.336e-02 / CHEB/ 3.283e-01 3.348e-01 1.418e-01 -1.110e-02 / CHEB/ 8.151e-02 1.125e-01 6.145e-02 1.661e-02 / CHEB/ 6.675e-03 2.528e-02 1.726e-02 1.274e-02 / CHEB/ -1.551e-02 -5.939e-03 5.299e-03 5.056e-03 /

2964.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	-0.7	+1.5	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-1.0	+1.4	+2.6

Chebyshev(coeffs=[[0.819133,-1.00664,-0.424381,-0.0740552],[6.89547,0.775912,0.249338,-0.00733572],[0.737406,0.137255,0.105761,0.0365737],[0.158662,0.0379261,0.0265801,0.017318],[0.00650936,0.0121426,0.00628488,0.00436693],[-0.0200242,-0.007834,-6.39974e-05,0.00212853]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.48
S298 (cal/mol*K) = 7.41
G298 (kcal/mol) = 11.27

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(626); H(25), CH3(425); C7H10(18)+H(25)(+M)=>C6H8(626)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.191e-01 -1.007e+00 -4.244e-01 -7.406e-02 / CHEB/ 6.895e+00 7.759e-01 2.493e-01 -7.336e-03 / CHEB/ 7.374e-01 1.373e-01 1.058e-01 3.657e-02 / CHEB/ 1.587e-01 3.793e-02 2.658e-02 1.732e-02 / CHEB/ 6.509e-03 1.214e-02 6.285e-03 4.367e-03 / CHEB/ -2.002e-02 -7.834e-03 -6.400e-05 2.129e-03 /

2965.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-3.4	-0.9	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-9.8	-3.7	-1.1	+0.4

Chebyshev(coeffs=[[-2.26272,-1.01644,-0.425965,-0.0731744],[7.55208,0.784145,0.249364,-0.00854475],[0.910574,0.138406,0.10681,0.036427],[0.207244,0.037821,0.0267354,0.0175486],[0.0226415,0.0121444,0.0062404,0.00441937],[-0.0142586,-0.0078029,-1.41852e-05,0.00212837]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.02
S298 (cal/mol*K) = -4.08
G298 (kcal/mol) = 15.23

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(627); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(627)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.263e+00 -1.016e+00 -4.260e-01 -7.317e-02 / CHEB/ 7.552e+00 7.841e-01 2.494e-01 -8.545e-03 / CHEB/ 9.106e-01 1.384e-01 1.068e-01 3.643e-02 / CHEB/ 2.072e-01 3.782e-02 2.674e-02 1.755e-02 / CHEB/ 2.264e-02 1.214e-02 6.240e-03 4.419e-03 / CHEB/ -1.426e-02 -7.803e-03 -1.419e-05 2.128e-03 /

2966.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	-0.9	+1.8	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-1.2	+1.7	+3.3

Chebyshev(coeffs=[[-0.269381,-0.951689,-0.414713,-0.0789242],[8.43845,0.729484,0.248211,-0.000453576],[0.916224,0.130802,0.0998709,0.0371439],[0.224489,0.0386904,0.0258678,0.0160568],[0.0283899,0.0121443,0.00653082,0.00410372],[-0.0127847,-0.0080204,-0.000354342,0.00212143]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.13
S298 (cal/mol*K) = 11.08
G298 (kcal/mol) = 14.83

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H7(628); H(25), C3H4(73); C7H10(18)+H(25)(+M)=>C3H4(73)+C4H7(628)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.694e-01 -9.517e-01 -4.147e-01 -7.892e-02 / CHEB/ 8.438e+00 7.295e-01 2.482e-01 -4.536e-04 / CHEB/ 9.162e-01 1.308e-01 9.987e-02 3.714e-02 / CHEB/ 2.245e-01 3.869e-02 2.587e-02 1.606e-02 / CHEB/ 2.839e-02 1.214e-02 6.531e-03 4.104e-03 / CHEB/ -1.278e-02 -8.020e-03 -3.543e-04 2.121e-03 /

2967.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	-2.0	-0.0	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-2.5	-0.2	+1.1

Chebyshev(coeffs=[[0.516833,-1.26276,-0.455581,-0.0523085],[5.325,0.974226,0.234848,-0.0334364],[1.04261,0.176274,0.131864,0.026576],[0.196518,0.0405129,0.0345987,0.0234987],[0.0247232,0.011594,0.00546985,0.00665007],[-0.0123175,-0.0072171,0.000974391,0.00210314]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.92
S298 (cal/mol*K) = -13.01
G298 (kcal/mol) = 4.80

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(629); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(629)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.168e-01 -1.263e+00 -4.556e-01 -5.231e-02 / CHEB/ 5.325e+00 9.742e-01 2.348e-01 -3.344e-02 / CHEB/ 1.043e+00 1.763e-01 1.319e-01 2.658e-02 / CHEB/ 1.965e-01 4.051e-02 3.460e-02 2.350e-02 / CHEB/ 2.472e-02 1.159e-02 5.470e-03 6.650e-03 / CHEB/ -1.232e-02 -7.217e-03 9.744e-04 2.103e-03 /

2968.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-4.6	-1.6	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-4.9	-1.8	-0.0

Chebyshev(coeffs=[[-4.91224,-0.828209,-0.387814,-0.0888993],[9.80785,0.624316,0.239454,0.0149844],[0.829425,0.116002,0.0866564,0.0370045],[0.225965,0.0410014,0.025078,0.0134928],[0.0308787,0.0122939,0.00704446,0.00368362],[-0.0127979,-0.00845463,-0.0010529,0.00203129]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.52
S298 (cal/mol*K) = -4.81
G298 (kcal/mol) = 24.95

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(630); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(630)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.912e+00 -8.282e-01 -3.878e-01 -8.890e-02 / CHEB/ 9.808e+00 6.243e-01 2.395e-01 1.498e-02 / CHEB/ 8.294e-01 1.160e-01 8.666e-02 3.700e-02 / CHEB/ 2.260e-01 4.100e-02 2.508e-02 1.349e-02 / CHEB/ 3.088e-02 1.229e-02 7.044e-03 3.684e-03 / CHEB/ -1.280e-02 -8.455e-03 -1.053e-03 2.031e-03 /

2969.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-3.0	-0.1	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-10.3	-3.3	-0.2	+1.5

Chebyshev(coeffs=[[-2.74131,-0.915059,-0.406276,-0.0813681],[8.9822,0.707189,0.248769,0.00402179],[0.960976,0.122952,0.0956002,0.0378409],[0.24569,0.0371209,0.0245531,0.0152873],[0.0391246,0.0113856,0.00620581,0.00378203],[-0.00954908,-0.00837585,-0.000727397,0.00198917]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.62
S298 (cal/mol*K) = -5.60
G298 (kcal/mol) = 20.29

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(477); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(477)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.741e+00 -9.151e-01 -4.063e-01 -8.137e-02 / CHEB/ 8.982e+00 7.072e-01 2.488e-01 4.022e-03 / CHEB/ 9.610e-01 1.230e-01 9.560e-02 3.784e-02 / CHEB/ 2.457e-01 3.712e-02 2.455e-02 1.529e-02 / CHEB/ 3.912e-02 1.139e-02 6.206e-03 3.782e-03 / CHEB/ -9.549e-03 -8.376e-03 -7.274e-04 1.989e-03 /

2970.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-5.1	-1.9	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-5.3	-2.0	-0.1

Chebyshev(coeffs=[[-5.89855,-0.769851,-0.372487,-0.0928309],[10.693,0.574556,0.23229,0.0218979],[0.827336,0.10877,0.0804654,0.0362987],[0.23661,0.042147,0.0249901,0.0124527],[0.0360304,0.0124328,0.00726573,0.00356483],[-0.0112421,-0.00862605,-0.00139008,0.00193804]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.52
S298 (cal/mol*K) = -7.51
G298 (kcal/mol) = 28.76

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(631); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(631)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.899e+00 -7.699e-01 -3.725e-01 -9.283e-02 / CHEB/ 1.069e+01 5.746e-01 2.323e-01 2.190e-02 / CHEB/ 8.273e-01 1.088e-01 8.047e-02 3.630e-02 / CHEB/ 2.366e-01 4.215e-02 2.499e-02 1.245e-02 / CHEB/ 3.603e-02 1.243e-02 7.266e-03 3.565e-03 / CHEB/ -1.124e-02 -8.626e-03 -1.390e-03 1.938e-03 /

2971.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-5.5	-2.2	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-13.8	-5.7	-2.3	-0.4

Chebyshev(coeffs=[[-6.32948,-0.771988,-0.373078,-0.0926982],[10.7559,0.57638,0.232586,0.0216516],[0.848629,0.109032,0.0806903,0.0363321],[0.242475,0.0421078,0.0249911,0.0124882],[0.0379102,0.012427,0.00725792,0.00356827],[-0.0105733,-0.00862064,-0.00137784,0.00194216]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.52
S298 (cal/mol*K) = -7.51
G298 (kcal/mol) = 28.76

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(632); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(632)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.329e+00 -7.720e-01 -3.731e-01 -9.270e-02 / CHEB/ 1.076e+01 5.764e-01 2.326e-01 2.165e-02 / CHEB/ 8.486e-01 1.090e-01 8.069e-02 3.633e-02 / CHEB/ 2.425e-01 4.211e-02 2.499e-02 1.249e-02 / CHEB/ 3.791e-02 1.243e-02 7.258e-03 3.568e-03 / CHEB/ -1.057e-02 -8.621e-03 -1.378e-03 1.942e-03 /

2972.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	-0.4	+0.7	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-3.7	-1.0	+0.5	+1.3

Chebyshev(coeffs=[[3.70845,-1.49444,-0.484417,-0.0361982],[2.66054,1.03542,0.20276,-0.0426057],[0.719607,0.283166,0.145483,0.0026948],[0.166755,0.0710429,0.0531245,0.0232334],[0.0213945,0.0113275,0.0103988,0.0120193],[-0.0125379,-0.00834244,0.00200226,0.00351078]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.31
S298 (cal/mol*K) = -37.62
G298 (kcal/mol) = -45.10

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(633); H(25), C7H11(633); C7H10(18)+H(25)(+M)=>C7H11(633)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.708e+00 -1.494e+00 -4.844e-01 -3.620e-02 / CHEB/ 2.661e+00 1.035e+00 2.028e-01 -4.261e-02 / CHEB/ 7.196e-01 2.832e-01 1.455e-01 2.695e-03 / CHEB/ 1.668e-01 7.104e-02 5.312e-02 2.323e-02 / CHEB/ 2.139e-02 1.133e-02 1.040e-02 1.202e-02 / CHEB/ -1.254e-02 -8.342e-03 2.002e-03 3.511e-03 /

2973.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+1.7	+3.4	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-2.8	+1.3	+3.2	+4.3

Chebyshev(coeffs=[[4.68766,-1.26693,-0.456006,-0.0519998],[4.54054,0.976801,0.234402,-0.0337245],[0.877985,0.177359,0.132235,0.0262743],[0.14786,0.0406669,0.0348259,0.0235887],[0.00868463,0.011568,0.0054758,0.00671376],[-0.0179525,-0.00720827,0.00098583,0.00210515]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.00
S298 (cal/mol*K) = 7.31
G298 (kcal/mol) = -3.18

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H7(210); H(25), C2H4(634); C7H10(18)+H(25)(+M)=>C5H7(210)+C2H4(634)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.688e+00 -1.267e+00 -4.560e-01 -5.200e-02 / CHEB/ 4.541e+00 9.768e-01 2.344e-01 -3.372e-02 / CHEB/ 8.780e-01 1.774e-01 1.322e-01 2.627e-02 / CHEB/ 1.479e-01 4.067e-02 3.483e-02 2.359e-02 / CHEB/ 8.685e-03 1.157e-02 5.476e-03 6.714e-03 / CHEB/ -1.795e-02 -7.208e-03 9.858e-04 2.105e-03 /

2974.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-3.8	-0.8	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-11.5	-3.9	-0.8	+0.8

Chebyshev(coeffs=[[-4.18473,-0.360015,-0.183222,-0.0539981],[10.1383,0.19566,0.0828218,0.0132953],[0.675274,0.11243,0.0617397,0.0171604],[0.19331,0.0425674,0.0253446,0.0105715],[0.0135184,-0.00849361,-0.00194989,0.00246621],[-0.0155454,-0.0143385,-0.00608829,-0.00056169]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.23
S298 (cal/mol*K) = 1.72
G298 (kcal/mol) = 26.72

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(635); H(25), CH2(137); C7H10(18)+H(25)(+M)=>CH2(137)+C6H9(635)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.185e+00 -3.600e-01 -1.832e-01 -5.400e-02 / CHEB/ 1.014e+01 1.957e-01 8.282e-02 1.330e-02 / CHEB/ 6.753e-01 1.124e-01 6.174e-02 1.716e-02 / CHEB/ 1.933e-01 4.257e-02 2.534e-02 1.057e-02 / CHEB/ 1.352e-02 -8.494e-03 -1.950e-03 2.466e-03 / CHEB/ -1.555e-02 -1.434e-02 -6.088e-03 -5.617e-04 /

2975.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.5	-7.5	-3.1	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-19.7	-7.7	-3.2	-0.8

Chebyshev(coeffs=[[-12.3688,-0.377666,-0.224371,-0.0917776],[16.9052,0.24659,0.136656,0.0466153],[0.475039,0.0580165,0.0400511,0.0213281],[0.180722,0.0431076,0.0249209,0.00967813],[0.0331595,0.0125296,0.00804599,0.0038576],[-0.00974294,-0.0076418,-0.00306491,0.000152183]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.95
S298 (cal/mol*K) = 3.08
G298 (kcal/mol) = 41.03

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(636); H(25), CH2(T)(82); C7H10(18)+H(25)(+M)=>CH2(T)(82)+C6H9(636)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.237e+01 -3.777e-01 -2.244e-01 -9.178e-02 / CHEB/ 1.691e+01 2.466e-01 1.367e-01 4.662e-02 / CHEB/ 4.750e-01 5.802e-02 4.005e-02 2.133e-02 / CHEB/ 1.807e-01 4.311e-02 2.492e-02 9.678e-03 / CHEB/ 3.316e-02 1.253e-02 8.046e-03 3.858e-03 / CHEB/ -9.743e-03 -7.642e-03 -3.065e-03 1.522e-04 /

2976.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	-4.6	-1.3	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-4.8	-1.4	+0.5

Chebyshev(coeffs=[[-4.85921,-0.841655,-0.387322,-0.0854859],[10.0043,0.664672,0.248951,0.0129937],[1.05177,0.105365,0.0862632,0.0387856],[0.27338,0.0336766,0.0217878,0.0136362],[0.0460425,0.0102714,0.00561925,0.00309878],[-0.00693458,-0.00898897,-0.00147037,0.0016645]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.12
S298 (cal/mol*K) = -6.76
G298 (kcal/mol) = 24.13

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(637); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(637)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.859e+00 -8.417e-01 -3.873e-01 -8.549e-02 / CHEB/ 1.000e+01 6.647e-01 2.490e-01 1.299e-02 / CHEB/ 1.052e+00 1.054e-01 8.626e-02 3.879e-02 / CHEB/ 2.734e-01 3.368e-02 2.179e-02 1.364e-02 / CHEB/ 4.604e-02 1.027e-02 5.619e-03 3.099e-03 / CHEB/ -6.935e-03 -8.989e-03 -1.470e-03 1.665e-03 /

2977.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+1.2	+2.5	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-2.2	+0.6	+2.2	+3.1

Chebyshev(coeffs=[[5.22407,-1.47548,-0.48075,-0.0371407],[2.89741,1.04226,0.207534,-0.0420602],[0.790434,0.274434,0.145844,0.0050915],[0.185199,0.0648118,0.051463,0.0241311],[0.0267866,0.00937539,0.00920198,0.0117539],[-0.0107649,-0.00878798,0.00145817,0.00322836]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.83
S298 (cal/mol*K) = -13.55
G298 (kcal/mol) = -23.80

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(638); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(638)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.224e+00 -1.475e+00 -4.808e-01 -3.714e-02 / CHEB/ 2.897e+00 1.042e+00 2.075e-01 -4.206e-02 / CHEB/ 7.904e-01 2.744e-01 1.458e-01 5.091e-03 / CHEB/ 1.852e-01 6.481e-02 5.146e-02 2.413e-02 / CHEB/ 2.679e-02 9.375e-03 9.202e-03 1.175e-02 / CHEB/ -1.076e-02 -8.788e-03 1.458e-03 3.228e-03 /

2978.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.6	+3.0	+3.7	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+0.3	+2.3	+3.4	+4.0

Chebyshev(coeffs=[[7.50423,-1.56791,-0.497713,-0.0320388],[1.86792,1.00559,0.184974,-0.0436449],[0.472859,0.316617,0.143194,-0.00646392],[0.110944,0.0969451,0.0587587,0.0191182],[0.00987277,0.0198497,0.0148943,0.0126325],[-0.0158146,-0.00670564,0.00413383,0.00452635]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -71.49
S298 (cal/mol*K) = -30.29
G298 (kcal/mol) = -62.46

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(467); H(25), C7H11(467); C7H10(18)+H(25)(+M)=>C7H11(467)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.504e+00 -1.568e+00 -4.977e-01 -3.204e-02 / CHEB/ 1.868e+00 1.006e+00 1.850e-01 -4.364e-02 / CHEB/ 4.729e-01 3.166e-01 1.432e-01 -6.464e-03 / CHEB/ 1.109e-01 9.695e-02 5.876e-02 1.912e-02 / CHEB/ 9.873e-03 1.985e-02 1.489e-02 1.263e-02 / CHEB/ -1.581e-02 -6.706e-03 4.134e-03 4.526e-03 /

2979.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	-0.1	+1.5	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-4.4	-0.6	+1.3	+2.4

Chebyshev(coeffs=[[3.2174,-1.38478,-0.469005,-0.0435833],[3.98696,1.03094,0.22043,-0.0398642],[0.961264,0.222319,0.141189,0.0156069],[0.182222,0.0481648,0.0431127,0.0252062],[0.0132575,0.0104856,0.00651083,0.00917544],[-0.0152425,-0.00724365,0.00118943,0.00235479]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -58.99
S298 (cal/mol*K) = -33.72
G298 (kcal/mol) = -48.94

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(470); H(25), C7H11(470); C7H10(18)+H(25)(+M)=>C7H11(470)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.217e+00 -1.385e+00 -4.690e-01 -4.358e-02 / CHEB/ 3.987e+00 1.031e+00 2.204e-01 -3.986e-02 / CHEB/ 9.613e-01 2.223e-01 1.412e-01 1.561e-02 / CHEB/ 1.822e-01 4.816e-02 4.311e-02 2.521e-02 / CHEB/ 1.326e-02 1.049e-02 6.511e-03 9.175e-03 / CHEB/ -1.524e-02 -7.244e-03 1.189e-03 2.355e-03 /

2980.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+2.6	+3.3	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+1.9	+3.0	+3.6

Chebyshev(coeffs=[[7.08029,-1.56091,-0.496241,-0.0323539],[1.90682,1.00998,0.187084,-0.0435045],[0.496832,0.314435,0.143778,-0.00558329],[0.112386,0.0944911,0.0584143,0.0196163],[0.0045029,0.0187659,0.0144712,0.0126623],[-0.0174053,-0.00709778,0.00386102,0.00445429]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -71.49
S298 (cal/mol*K) = -30.29
G298 (kcal/mol) = -62.46

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(466); H(25), C7H11(466); C7H10(18)+H(25)(+M)=>C7H11(466)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.080e+00 -1.561e+00 -4.962e-01 -3.235e-02 / CHEB/ 1.907e+00 1.010e+00 1.871e-01 -4.350e-02 / CHEB/ 4.968e-01 3.144e-01 1.438e-01 -5.583e-03 / CHEB/ 1.124e-01 9.449e-02 5.841e-02 1.962e-02 / CHEB/ 4.503e-03 1.877e-02 1.447e-02 1.266e-02 / CHEB/ -1.741e-02 -7.098e-03 3.861e-03 4.454e-03 /

2981.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+1.3	+2.2	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-1.7	+0.7	+2.0	+2.6

Chebyshev(coeffs=[[5.61884,-1.52492,-0.490361,-0.0346769],[2.27306,1.02237,0.194797,-0.0433396],[0.597607,0.29623,0.144416,-0.00114876],[0.135021,0.0814871,0.0555278,0.0215714],[0.0128718,0.0150405,0.0123466,0.0122841],[-0.0154998,-0.00739487,0.00296251,0.00393193]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.99
S298 (cal/mol*K) = -31.02
G298 (kcal/mol) = -52.75

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(468); H(25), C7H11(468); C7H10(18)+H(25)(+M)=>C7H11(468)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.619e+00 -1.525e+00 -4.904e-01 -3.468e-02 / CHEB/ 2.273e+00 1.022e+00 1.948e-01 -4.334e-02 / CHEB/ 5.976e-01 2.962e-01 1.444e-01 -1.149e-03 / CHEB/ 1.350e-01 8.149e-02 5.553e-02 2.157e-02 / CHEB/ 1.287e-02 1.504e-02 1.235e-02 1.228e-02 / CHEB/ -1.550e-02 -7.395e-03 2.963e-03 3.932e-03 /

2982.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.9	-0.3	+1.1	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-4.0	-0.8	+0.9	+1.9

Chebyshev(coeffs=[[3.47291,-1.43941,-0.476238,-0.0398438],[3.3207,1.03933,0.212425,-0.0415382],[0.857557,0.251824,0.144007,0.0094033],[0.183913,0.0568784,0.047994,0.0247771],[0.023696,0.0100222,0.00799122,0.0106658],[-0.0122501,-0.00773057,0.00138893,0.00279355]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.79
S298 (cal/mol*K) = -34.14
G298 (kcal/mol) = -46.62

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(471); H(25), C7H11(471); C7H10(18)+H(25)(+M)=>C7H11(471)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.473e+00 -1.439e+00 -4.762e-01 -3.984e-02 / CHEB/ 3.321e+00 1.039e+00 2.124e-01 -4.154e-02 / CHEB/ 8.576e-01 2.518e-01 1.440e-01 9.403e-03 / CHEB/ 1.839e-01 5.688e-02 4.799e-02 2.478e-02 / CHEB/ 2.370e-02 1.002e-02 7.991e-03 1.067e-02 / CHEB/ -1.225e-02 -7.731e-03 1.389e-03 2.794e-03 /

2983.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.6	+2.8	+3.3	+3.5
log₁₀(k(10 bar)/[mole,m,s])	+0.4	+2.0	+2.9	+3.4

Chebyshev(coeffs=[[7.44925,-1.59482,-0.501687,-0.0300632],[1.4987,0.99575,0.17976,-0.0433282],[0.375065,0.33109,0.142785,-0.00969793],[0.0948751,0.107939,0.060897,0.0174966],[0.0100214,0.0230745,0.0165335,0.0128488],[-0.0145919,-0.00665358,0.00483203,0.00494948]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -66.89
S298 (cal/mol*K) = -31.81
G298 (kcal/mol) = -57.41

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(447); H(25), C7H11(447); C7H10(18)+H(25)(+M)=>C7H11(447)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.449e+00 -1.595e+00 -5.017e-01 -3.006e-02 / CHEB/ 1.499e+00 9.958e-01 1.798e-01 -4.333e-02 / CHEB/ 3.751e-01 3.311e-01 1.428e-01 -9.698e-03 / CHEB/ 9.488e-02 1.079e-01 6.090e-02 1.750e-02 / CHEB/ 1.002e-02 2.307e-02 1.653e-02 1.285e-02 / CHEB/ -1.459e-02 -6.654e-03 4.832e-03 4.949e-03 /

2984.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.3	+4.1	+4.2	+4.2
log₁₀(k(10 bar)/[mole,m,s])	+2.0	+3.3	+3.9	+4.1

Chebyshev(coeffs=[[8.9121,-1.59518,-0.513503,-0.0396597],[0.9891,0.883186,0.118359,-0.0664702],[0.194214,0.378678,0.17773,0.00679157],[0.0311661,0.133316,0.0789531,0.0266921],[-0.0218659,0.0194459,0.0127574,0.0107172],[-0.028221,-0.0109658,0.000344851,0.00220174]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.17
S298 (cal/mol*K) = -33.22
G298 (kcal/mol) = -62.27

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(639); H(25), C7H11(639); C7H10(18)+H(25)(+M)=>C7H11(639)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.912e+00 -1.595e+00 -5.135e-01 -3.966e-02 / CHEB/ 9.891e-01 8.832e-01 1.184e-01 -6.647e-02 / CHEB/ 1.942e-01 3.787e-01 1.777e-01 6.792e-03 / CHEB/ 3.117e-02 1.333e-01 7.895e-02 2.669e-02 / CHEB/ -2.187e-02 1.945e-02 1.276e-02 1.072e-02 / CHEB/ -2.822e-02 -1.097e-02 3.449e-04 2.202e-03 /

2985.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.1	-7.1	-2.6	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-7.2	-2.7	-0.3

Chebyshev(coeffs=[[-11.9748,-0.373127,-0.222177,-0.0913332],[17.018,0.242912,0.135086,0.0465131],[0.472951,0.0574358,0.0396026,0.0210751],[0.180347,0.0429845,0.0248843,0.00968624],[0.0332237,0.0124973,0.00803554,0.00386182],[-0.00964203,-0.00759621,-0.00306932,0.00012388]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.53
S298 (cal/mol*K) = 6.11
G298 (kcal/mol) = 40.71

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H8(640); H(25), C2H3(100); C7H10(18)+H(25)(+M)=>C2H3(100)+C5H8(640)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.197e+01 -3.731e-01 -2.222e-01 -9.133e-02 / CHEB/ 1.702e+01 2.429e-01 1.351e-01 4.651e-02 / CHEB/ 4.730e-01 5.744e-02 3.960e-02 2.108e-02 / CHEB/ 1.803e-01 4.298e-02 2.488e-02 9.686e-03 / CHEB/ 3.322e-02 1.250e-02 8.036e-03 3.862e-03 / CHEB/ -9.642e-03 -7.596e-03 -3.069e-03 1.239e-04 /

3004.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	+0.1	+2.9	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-0.2	+2.8	+4.2

Chebyshev(coeffs=[[-1.41101,-0.802274,-0.35502,-0.0676698],[11.2972,0.498603,0.182761,0.00327621],[0.309893,0.100875,0.0519133,0.0155212],[0.0474172,0.0856205,0.037984,0.00682928],[-0.0196976,0.032828,0.0191667,0.00619878],[-0.0290028,-0.00670668,0.00116179,0.00337577]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.98
S298 (cal/mol*K) = 32.96
G298 (kcal/mol) = 18.16

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(238); H(25), H(25); C7H10(1)+H(25)(+M)=>C7H10(238)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.411e+00 -8.023e-01 -3.550e-01 -6.767e-02 / CHEB/ 1.130e+01 4.986e-01 1.828e-01 3.276e-03 / CHEB/ 3.099e-01 1.009e-01 5.191e-02 1.552e-02 / CHEB/ 4.742e-02 8.562e-02 3.798e-02 6.829e-03 / CHEB/ -1.970e-02 3.283e-02 1.917e-02 6.199e-03 / CHEB/ -2.900e-02 -6.707e-03 1.162e-03 3.376e-03 /

3005.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	+1.5	+3.7	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+1.0	+3.4	+4.6

Chebyshev(coeffs=[[1.24282,-1.02068,-0.39295,-0.042041],[9.091,0.653394,0.184844,-0.0294255],[0.275189,0.127528,0.0712834,0.0171577],[0.0170988,0.08685,0.0353414,0.00778885],[-0.0412601,0.0376426,0.018967,0.00474975],[-0.0404723,-0.00466827,0.00322431,0.00351639]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.10
S298 (cal/mol*K) = 44.56
G298 (kcal/mol) = 3.82

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H7(158); H(25), C2H4(115); C7H10(1)+H(25)(+M)=>C2H4(115)+C5H7(158)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.243e+00 -1.021e+00 -3.930e-01 -4.204e-02 / CHEB/ 9.091e+00 6.534e-01 1.848e-01 -2.943e-02 / CHEB/ 2.752e-01 1.275e-01 7.128e-02 1.716e-02 / CHEB/ 1.710e-02 8.685e-02 3.534e-02 7.789e-03 / CHEB/ -4.126e-02 3.764e-02 1.897e-02 4.750e-03 / CHEB/ -4.047e-02 -4.668e-03 3.224e-03 3.516e-03 /

3006.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	+1.0	+2.6	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-5.7	-0.1	+2.2	+3.4

Chebyshev(coeffs=[[2.29318,-3.10026,-0.763138,-0.00977852],[6.55498,2.49234,0.372791,-0.0651389],[0.405883,0.39718,0.264037,0.03826],[0.0753874,0.13094,0.0654003,0.00778229],[0.0102299,0.0278727,-0.000848221,-0.0107239],[-0.00685996,-0.0320592,-0.0115113,-0.00515973]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.93
S298 (cal/mol*K) = 12.35
G298 (kcal/mol) = -11.61

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(617); H(25), C7H11(617); C7H10(1)+H(25)(+M)=>C7H11(617)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.293e+00 -3.100e+00 -7.631e-01 -9.779e-03 / CHEB/ 6.555e+00 2.492e+00 3.728e-01 -6.514e-02 / CHEB/ 4.059e-01 3.972e-01 2.640e-01 3.826e-02 / CHEB/ 7.539e-02 1.309e-01 6.540e-02 7.782e-03 / CHEB/ 1.023e-02 2.787e-02 -8.482e-04 -1.072e-02 / CHEB/ -6.860e-03 -3.206e-02 -1.151e-02 -5.160e-03 /

3007.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-1.2	+1.6	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-1.6	+1.4	+2.8

Chebyshev(coeffs=[[-1.3543,-1.97216,-0.283039,0.00511336],[9.24396,2.09672,0.148157,-0.0905139],[0.97621,-0.228682,-0.026294,0.0179654],[0.0240556,-0.0980568,0.0592093,0.0470761],[-0.0457979,0.105638,0.0672702,-0.0082082],[-0.0476813,0.0230314,-0.018795,-0.0144855]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.93
S298 (cal/mol*K) = 11.66
G298 (kcal/mol) = -11.40

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(566); H(25), C7H11(566); C7H10(1)+H(25)(+M)=>C7H11(566)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.354e+00 -1.972e+00 -2.830e-01 5.113e-03 / CHEB/ 9.244e+00 2.097e+00 1.482e-01 -9.051e-02 / CHEB/ 9.762e-01 -2.287e-01 -2.629e-02 1.797e-02 / CHEB/ 2.406e-02 -9.806e-02 5.921e-02 4.708e-02 / CHEB/ -4.580e-02 1.056e-01 6.727e-02 -8.208e-03 / CHEB/ -4.768e-02 2.303e-02 -1.879e-02 -1.449e-02 /

3008.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+2.0	+3.3	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+1.4	+3.0	+3.7

Chebyshev(coeffs=[[4.34623,-1.80318,-0.275904,0.0267046],[5.08856,1.38672,-0.0620426,-0.0912613],[0.357128,0.124967,0.159561,-0.0110611],[0.0188066,0.0655378,0.0488381,0.0180773],[-0.0411797,0.0468574,0.0111012,0.00804053],[-0.0456845,-0.0027806,0.00437886,0.00323824]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.18
S298 (cal/mol*K) = 3.41
G298 (kcal/mol) = -16.19

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(641); H(25), C7H11(641); C7H10(1)+H(25)(+M)=>C7H11(641)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.346e+00 -1.803e+00 -2.759e-01 2.670e-02 / CHEB/ 5.089e+00 1.387e+00 -6.204e-02 -9.126e-02 / CHEB/ 3.571e-01 1.250e-01 1.596e-01 -1.106e-02 / CHEB/ 1.881e-02 6.554e-02 4.884e-02 1.808e-02 / CHEB/ -4.118e-02 4.686e-02 1.110e-02 8.041e-03 / CHEB/ -4.568e-02 -2.781e-03 4.379e-03 3.238e-03 /

3009.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.0	+0.6	+2.2	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-5.4	-0.1	+1.9	+2.8

Chebyshev(coeffs=[[2.07584,-2.02218,-0.576914,-0.0186392],[6.38726,1.67711,0.321439,-0.066692],[0.382489,0.14123,0.120515,0.0205751],[0.0349199,0.0388594,0.0215871,0.0113076],[-0.0216538,0.019275,0.00953067,0.00501827],[-0.0324955,-0.00957497,0.00359595,0.00347168]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.12
S298 (cal/mol*K) = 9.03
G298 (kcal/mol) = 3.43

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(564); H(25), C7H11(564); C7H10(1)+H(25)(+M)=>C7H11(564)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.076e+00 -2.022e+00 -5.769e-01 -1.864e-02 / CHEB/ 6.387e+00 1.677e+00 3.214e-01 -6.669e-02 / CHEB/ 3.825e-01 1.412e-01 1.205e-01 2.058e-02 / CHEB/ 3.492e-02 3.886e-02 2.159e-02 1.131e-02 / CHEB/ -2.165e-02 1.928e-02 9.531e-03 5.018e-03 / CHEB/ -3.250e-02 -9.575e-03 3.596e-03 3.472e-03 /

3010.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	+1.4	+3.2	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-5.4	+0.7	+2.9	+3.9

Chebyshev(coeffs=[[2.15434,-2.18352,-0.657361,-0.0430825],[7.34078,1.66498,0.271814,-0.0857467],[0.404523,0.179777,0.164998,0.0252542],[0.00472829,0.0415284,0.0382212,0.0178771],[-0.0286086,0.0428557,0.0121464,0.00507165],[-0.0362684,0.0127316,0.0116719,0.00517804]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.12
S298 (cal/mol*K) = 9.03
G298 (kcal/mol) = 3.43

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(642); H(25), C7H11(642); C7H10(1)+H(25)(+M)=>C7H11(642)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.154e+00 -2.184e+00 -6.574e-01 -4.308e-02 / CHEB/ 7.341e+00 1.665e+00 2.718e-01 -8.575e-02 / CHEB/ 4.045e-01 1.798e-01 1.650e-01 2.525e-02 / CHEB/ 4.728e-03 4.153e-02 3.822e-02 1.788e-02 / CHEB/ -2.861e-02 4.286e-02 1.215e-02 5.072e-03 / CHEB/ -3.627e-02 1.273e-02 1.167e-02 5.178e-03 /

3011.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.7	-6.1	-0.8	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-22.8	-6.2	-0.8	+1.7

Chebyshev(coeffs=[[-15.4877,-0.165665,-0.097041,-0.0395936],[23.4417,0.0338684,0.0175713,0.00578688],[-0.142517,0.0472091,0.023089,0.00499334],[-0.0696034,0.0441251,0.0255184,0.00987114],[-0.0364079,0.0136741,0.0105748,0.00636588],[-0.0196757,-0.00395097,-0.000581412,0.00125254]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.27
S298 (cal/mol*K) = 47.79
G298 (kcal/mol) = 60.03

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H5(156); H(25), C3H6(231); C7H10(1)+H(25)(+M)=>C3H6(231)+C4H5(156)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.549e+01 -1.657e-01 -9.704e-02 -3.959e-02 / CHEB/ 2.344e+01 3.387e-02 1.757e-02 5.787e-03 / CHEB/ -1.425e-01 4.721e-02 2.309e-02 4.993e-03 / CHEB/ -6.960e-02 4.413e-02 2.552e-02 9.871e-03 / CHEB/ -3.641e-02 1.367e-02 1.057e-02 6.366e-03 / CHEB/ -1.968e-02 -3.951e-03 -5.814e-04 1.253e-03 /

3012.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.1	-9.3	-3.5	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-27.2	-9.4	-3.5	-0.6

Chebyshev(coeffs=[[-19.6703,-0.156074,-0.092039,-0.0379144],[25.0408,0.0312937,0.0163743,0.00533203],[0.0529254,0.0452746,0.0223694,0.00504698],[-0.0123133,0.0414698,0.0241839,0.00954501],[-0.0172268,0.0125049,0.00985531,0.0061011],[-0.0125946,-0.00384703,-0.000624231,0.00116952]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.12
S298 (cal/mol*K) = 34.37
G298 (kcal/mol) = 67.88

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(169); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(169)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.967e+01 -1.561e-01 -9.204e-02 -3.791e-02 / CHEB/ 2.504e+01 3.129e-02 1.637e-02 5.332e-03 / CHEB/ 5.293e-02 4.527e-02 2.237e-02 5.047e-03 / CHEB/ -1.231e-02 4.147e-02 2.418e-02 9.545e-03 / CHEB/ -1.723e-02 1.250e-02 9.855e-03 6.101e-03 / CHEB/ -1.259e-02 -3.847e-03 -6.242e-04 1.170e-03 /

3013.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.3	-6.9	-1.0	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-25.4	-7.0	-1.1	+1.8

Chebyshev(coeffs=[[-17.9015,-0.137269,-0.0821824,-0.0346873],[25.9064,0.0267048,0.0142939,0.00468083],[-0.10267,0.0411119,0.0208382,0.00520532],[-0.0586394,0.0361561,0.0214535,0.00880939],[-0.0322602,0.0102228,0.00835886,0.0054545],[-0.0172854,-0.00362241,-0.000726697,0.000965982]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.18
S298 (cal/mol*K) = 54.01
G298 (kcal/mol) = 66.08

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H7(158); H(25), C2H4(72); C7H10(1)+H(25)(+M)=>C2H4(72)+C5H7(158)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.790e+01 -1.373e-01 -8.218e-02 -3.469e-02 / CHEB/ 2.591e+01 2.670e-02 1.429e-02 4.681e-03 / CHEB/ -1.027e-01 4.111e-02 2.084e-02 5.205e-03 / CHEB/ -5.864e-02 3.616e-02 2.145e-02 8.809e-03 / CHEB/ -3.226e-02 1.022e-02 8.359e-03 5.454e-03 / CHEB/ -1.729e-02 -3.622e-03 -7.267e-04 9.660e-04 /

3014.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.5	-11.6	-4.7	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-32.6	-11.7	-4.7	-1.3

Chebyshev(coeffs=[[-24.8404,-0.107,-0.0660142,-0.0294345],[29.5427,0.0201699,0.011371,0.00407977],[0.00958683,0.0333369,0.0178929,0.00546603],[-0.0266391,0.0275587,0.0168673,0.00739519],[-0.0213567,0.00677059,0.00583615,0.00409732],[-0.0125425,-0.00318243,-0.000918125,0.000534708]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 93.17
S298 (cal/mol*K) = 42.50
G298 (kcal/mol) = 80.51

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(58); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(58)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.484e+01 -1.070e-01 -6.601e-02 -2.943e-02 / CHEB/ 2.954e+01 2.017e-02 1.137e-02 4.080e-03 / CHEB/ 9.587e-03 3.334e-02 1.789e-02 5.466e-03 / CHEB/ -2.664e-02 2.756e-02 1.687e-02 7.395e-03 / CHEB/ -2.136e-02 6.771e-03 5.836e-03 4.097e-03 / CHEB/ -1.254e-02 -3.182e-03 -9.181e-04 5.347e-04 /

3015.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.1	-11.5	-4.9	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-31.2	-11.6	-5.0	-1.7

Chebyshev(coeffs=[[-23.5448,-0.123381,-0.0747945,-0.0322763],[27.8135,0.0247288,0.0135598,0.00461501],[0.047912,0.0378487,0.0196668,0.00538655],[0.00656182,0.031946,0.0192463,0.00816841],[0.00803864,0.00824892,0.00702263,0.00481525],[-0.00418096,-0.00359056,-0.000910372,0.000738857]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 85.92
S298 (cal/mol*K) = 34.25
G298 (kcal/mol) = 75.72

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(55); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(55)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.354e+01 -1.234e-01 -7.479e-02 -3.228e-02 / CHEB/ 2.781e+01 2.473e-02 1.356e-02 4.615e-03 / CHEB/ 4.791e-02 3.785e-02 1.967e-02 5.387e-03 / CHEB/ 6.562e-03 3.195e-02 1.925e-02 8.168e-03 / CHEB/ 8.039e-03 8.249e-03 7.023e-03 4.815e-03 / CHEB/ -4.181e-03 -3.591e-03 -9.104e-04 7.389e-04 /

3016.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.0	-9.6	-3.2	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-29.1	-9.7	-3.3	-0.1

Chebyshev(coeffs=[[-21.5061,-0.148218,-0.0886404,-0.0370403],[27.4194,0.0333998,0.0180004,0.0057354],[0.00365086,0.0455376,0.0236334,0.00640325],[-0.0265455,0.035537,0.0209239,0.00843232],[-0.0233674,0.00840658,0.00725279,0.0050453],[-0.0154544,-0.00431017,-0.00106119,0.000936332]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.30
S298 (cal/mol*K) = 44.05
G298 (kcal/mol) = 73.18

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(168); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(168)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.151e+01 -1.482e-01 -8.864e-02 -3.704e-02 / CHEB/ 2.742e+01 3.340e-02 1.800e-02 5.735e-03 / CHEB/ 3.651e-03 4.554e-02 2.363e-02 6.403e-03 / CHEB/ -2.655e-02 3.554e-02 2.092e-02 8.432e-03 / CHEB/ -2.337e-02 8.407e-03 7.253e-03 5.045e-03 / CHEB/ -1.545e-02 -4.310e-03 -1.061e-03 9.363e-04 /

3017.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.6	-15.5	-7.5	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-39.6	-15.5	-7.5	-3.6

Chebyshev(coeffs=[[-31.5565,-0.0763024,-0.0488299,-0.0233474],[33.9752,0.0136456,0.00819917,0.00340609],[0.0402337,0.0243029,0.0140595,0.00532887],[-0.0185444,0.0191774,0.0121645,0.00572156],[-0.0183598,0.00386851,0.00343264,0.00252171],[-0.0106335,-0.00258143,-0.00104553,5.58441e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 107.22
S298 (cal/mol*K) = 39.87
G298 (kcal/mol) = 95.34

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(172); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(172)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.156e+01 -7.630e-02 -4.883e-02 -2.335e-02 / CHEB/ 3.398e+01 1.365e-02 8.199e-03 3.406e-03 / CHEB/ 4.023e-02 2.430e-02 1.406e-02 5.329e-03 / CHEB/ -1.854e-02 1.918e-02 1.216e-02 5.722e-03 / CHEB/ -1.836e-02 3.869e-03 3.433e-03 2.522e-03 / CHEB/ -1.063e-02 -2.581e-03 -1.046e-03 5.584e-05 /

3018.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.6	-15.5	-7.5	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-39.6	-15.5	-7.5	-3.6

H298 (kcal/mol) = 107.22
S298 (cal/mol*K) = 39.87
G298 (kcal/mol) = 95.34

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(177); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(177)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.156e+01 -7.630e-02 -4.883e-02 -2.335e-02 / CHEB/ 3.398e+01 1.365e-02 8.199e-03 3.406e-03 / CHEB/ 4.023e-02 2.430e-02 1.406e-02 5.329e-03 / CHEB/ -1.854e-02 1.918e-02 1.216e-02 5.722e-03 / CHEB/ -1.836e-02 3.869e-03 3.433e-03 2.522e-03 / CHEB/ -1.063e-02 -2.581e-03 -1.046e-03 5.584e-05 /

3019.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.9	-12.1	-4.6	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-34.9	-12.2	-4.7	-1.0

Chebyshev(coeffs=[[-27.0413,-0.0860593,-0.0544121,-0.0254247],[32.1599,0.0157884,0.00929423,0.00368283],[-0.0238852,0.0272703,0.0153847,0.00545239],[-0.0371893,0.0217814,0.0136542,0.00627773],[-0.0246513,0.00470299,0.00415361,0.00302193],[-0.0131129,-0.00279572,-0.00102335,0.00020149]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 93.21
S298 (cal/mol*K) = 47.85
G298 (kcal/mol) = 78.95

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(643); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>CH2(T)(82)+C6H9(643)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.704e+01 -8.606e-02 -5.441e-02 -2.542e-02 / CHEB/ 3.216e+01 1.579e-02 9.294e-03 3.683e-03 / CHEB/ -2.389e-02 2.727e-02 1.538e-02 5.452e-03 / CHEB/ -3.719e-02 2.178e-02 1.365e-02 6.278e-03 / CHEB/ -2.465e-02 4.703e-03 4.154e-03 3.022e-03 / CHEB/ -1.311e-02 -2.796e-03 -1.023e-03 2.015e-04 /

3020.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.2	-15.6	-7.7	-3.8
log₁₀(k(10 bar)/[mole,m,s])	-39.3	-15.6	-7.7	-3.8

Chebyshev(coeffs=[[-31.2463,-0.0799926,-0.0509308,-0.0241172],[33.3695,0.0155063,0.00926354,0.00380073],[0.0881931,0.0255466,0.0146511,0.00542961],[0.00169073,0.0199384,0.0126113,0.00590059],[-0.00669904,0.00391819,0.00354895,0.00264952],[-0.00722839,-0.00278235,-0.00111946,6.70984e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 104.92
S298 (cal/mol*K) = 36.83
G298 (kcal/mol) = 93.95

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(644); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(644)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.125e+01 -7.999e-02 -5.093e-02 -2.412e-02 / CHEB/ 3.337e+01 1.551e-02 9.264e-03 3.801e-03 / CHEB/ 8.819e-02 2.555e-02 1.465e-02 5.430e-03 / CHEB/ 1.691e-03 1.994e-02 1.261e-02 5.901e-03 / CHEB/ -6.699e-03 3.918e-03 3.549e-03 2.650e-03 / CHEB/ -7.228e-03 -2.782e-03 -1.119e-03 6.710e-05 /

3045.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.2	+4.5	+4.1	+3.6
log₁₀(k(10 bar)/[mole,m,s])	+4.6	+5.1	+4.9	+4.5

Chebyshev(coeffs=[[9.97335,1.27984,-0.263051,-0.0310263],[-0.0520547,0.314705,0.0779854,-0.0084209],[-0.0555091,0.205093,0.0645095,-0.00840356],[-0.170045,0.0951997,0.03749,0.00183186],[-0.128858,0.00382854,0.0105688,0.0083876],[-0.0444422,-0.0170524,-0.000328856,0.00521614]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -83.09
S298 (cal/mol*K) = -37.49
G298 (kcal/mol) = -71.92

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(645); H(25), C7H11(645); C7H10(18)+H(25)(+M)=>C7H11(645)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.973e+00 1.280e+00 -2.631e-01 -3.103e-02 / CHEB/ -5.205e-02 3.147e-01 7.799e-02 -8.421e-03 / CHEB/ -5.551e-02 2.051e-01 6.451e-02 -8.404e-03 / CHEB/ -1.700e-01 9.520e-02 3.749e-02 1.832e-03 / CHEB/ -1.289e-01 3.829e-03 1.057e-02 8.388e-03 / CHEB/ -4.444e-02 -1.705e-02 -3.289e-04 5.216e-03 /

3046.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.3	+4.6	+4.8	+4.8
log₁₀(k(10 bar)/[mole,m,s])	+3.7	+4.3	+4.6	+4.7

Chebyshev(coeffs=[[10.1599,-0.686859,-0.255562,-0.0333465],[0.414898,0.347093,0.0907326,-0.00629419],[0.138158,0.200997,0.0701394,-0.00394703],[0.0393433,0.0821448,0.0376519,0.00499868],[-0.0178395,-0.00451202,0.00812781,0.00910563],[-0.0229489,-0.0200971,-0.00263429,0.00458123]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -91.38
S298 (cal/mol*K) = -35.04
G298 (kcal/mol) = -80.94

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(497); H(25), C7H11(497); C7H10(18)+H(25)(+M)=>C7H11(497)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.016e+01 -6.869e-01 -2.556e-01 -3.335e-02 / CHEB/ 4.149e-01 3.471e-01 9.073e-02 -6.294e-03 / CHEB/ 1.382e-01 2.010e-01 7.014e-02 -3.947e-03 / CHEB/ 3.934e-02 8.214e-02 3.765e-02 4.999e-03 / CHEB/ -1.784e-02 -4.512e-03 8.128e-03 9.106e-03 / CHEB/ -2.295e-02 -2.010e-02 -2.634e-03 4.581e-03 /

3047.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.2	+6.9	+7.3	+7.5
log₁₀(k(10 bar)/[mole,m,s])	+5.6	+6.6	+7.2	+7.5

Chebyshev(coeffs=[[12.2159,-0.660151,-0.248834,-0.0337305],[0.888718,0.358131,0.0959249,-0.00598586],[0.291979,0.192849,0.0719363,-0.00109083],[0.0796804,0.0733883,0.0370299,0.0070086],[-0.00773524,-0.00886529,0.0063191,0.00928179],[-0.0194255,-0.0212429,-0.00410522,0.00395101]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.75
S298 (cal/mol*K) = 4.00
G298 (kcal/mol) = -45.94

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H7(602); H(25), C2H4(115); C7H10(18)+H(25)(+M)=>C2H4(115)+C5H7(602)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.222e+01 -6.602e-01 -2.488e-01 -3.373e-02 / CHEB/ 8.887e-01 3.581e-01 9.592e-02 -5.986e-03 / CHEB/ 2.920e-01 1.928e-01 7.194e-02 -1.091e-03 / CHEB/ 7.968e-02 7.339e-02 3.703e-02 7.009e-03 / CHEB/ -7.735e-03 -8.865e-03 6.319e-03 9.282e-03 / CHEB/ -1.943e-02 -2.124e-02 -4.105e-03 3.951e-03 /

3048.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.9	+1.4	+4.0	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-5.2	+1.3	+3.9	+5.3

Chebyshev(coeffs=[[2.00002,-0.374824,-0.185896,-0.0526257],[8.50659,0.229327,0.0948946,0.0153223],[0.684529,0.107982,0.060335,0.0165735],[0.150187,0.0381662,0.0232419,0.0100615],[0.000850066,-0.0119811,-0.00321545,0.00274489],[-0.0160627,-0.0161769,-0.00700917,-0.000802378]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.32
S298 (cal/mol*K) = 13.44
G298 (kcal/mol) = 16.32

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H7(602); H(25), C2H4(72); C7H10(18)+H(25)(+M)=>C2H4(72)+C5H7(602)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.000e+00 -3.748e-01 -1.859e-01 -5.263e-02 / CHEB/ 8.507e+00 2.293e-01 9.489e-02 1.532e-02 / CHEB/ 6.845e-01 1.080e-01 6.033e-02 1.657e-02 / CHEB/ 1.502e-01 3.817e-02 2.324e-02 1.006e-02 / CHEB/ 8.501e-04 -1.198e-02 -3.215e-03 2.745e-03 / CHEB/ -1.606e-02 -1.618e-02 -7.009e-03 -8.024e-04 /

3049.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	+0.8	+3.5	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-6.2	+0.7	+3.4	+4.9

Chebyshev(coeffs=[[1.06313,-0.361994,-0.182085,-0.0530455],[9.01925,0.219619,0.0930118,0.0161136],[0.688417,0.105578,0.0592692,0.0168905],[0.156828,0.0376909,0.0228917,0.00994699],[0.0039379,-0.0117156,-0.00328811,0.00246146],[-0.0150268,-0.0159322,-0.00699973,-0.000892714]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.86
S298 (cal/mol*K) = 11.12
G298 (kcal/mol) = 18.55

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(83); H(25), CH3(425); C7H10(18)+H(25)(+M)=>C6H8(83)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.063e+00 -3.620e-01 -1.821e-01 -5.305e-02 / CHEB/ 9.019e+00 2.196e-01 9.301e-02 1.611e-02 / CHEB/ 6.884e-01 1.056e-01 5.927e-02 1.689e-02 / CHEB/ 1.568e-01 3.769e-02 2.289e-02 9.947e-03 / CHEB/ 3.938e-03 -1.172e-02 -3.288e-03 2.461e-03 / CHEB/ -1.503e-02 -1.593e-02 -7.000e-03 -8.927e-04 /

3050.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.1	-3.0	+0.1	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-11.4	-3.2	+0.1	+1.8

Chebyshev(coeffs=[[-4.09187,-0.415728,-0.203636,-0.0535694],[11.0662,0.27196,0.104919,0.00624769],[0.657671,0.0986852,0.06627,0.0271492],[0.165417,0.0321726,0.0206055,0.0111695],[0.0269082,0.000745456,-0.000120579,8.4098e-06],[-0.0038263,-0.00925613,-0.00376646,-0.000510722]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.00
S298 (cal/mol*K) = 1.18
G298 (kcal/mol) = 28.65

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(70); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(70)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.092e+00 -4.157e-01 -2.036e-01 -5.357e-02 / CHEB/ 1.107e+01 2.720e-01 1.049e-01 6.248e-03 / CHEB/ 6.577e-01 9.869e-02 6.627e-02 2.715e-02 / CHEB/ 1.654e-01 3.217e-02 2.061e-02 1.117e-02 / CHEB/ 2.691e-02 7.455e-04 -1.206e-04 8.410e-06 / CHEB/ -3.826e-03 -9.256e-03 -3.766e-03 -5.107e-04 /

3051.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.0	-2.8	+0.4	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-3.0	+0.4	+2.2

Chebyshev(coeffs=[[-3.93214,-0.423191,-0.206057,-0.0530596],[11.2048,0.280302,0.106057,0.00382724],[0.689582,0.0850192,0.0597982,0.0256109],[0.164547,0.0274834,0.0180489,0.0104918],[0.0247821,0.00859747,0.0041451,0.00136253],[-0.00489204,-0.00204276,0.000467371,0.00113743]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.00
S298 (cal/mol*K) = 1.18
G298 (kcal/mol) = 28.65

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(64); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(64)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.932e+00 -4.232e-01 -2.061e-01 -5.306e-02 / CHEB/ 1.120e+01 2.803e-01 1.061e-01 3.827e-03 / CHEB/ 6.896e-01 8.502e-02 5.980e-02 2.561e-02 / CHEB/ 1.645e-01 2.748e-02 1.805e-02 1.049e-02 / CHEB/ 2.478e-02 8.597e-03 4.145e-03 1.363e-03 / CHEB/ -4.892e-03 -2.043e-03 4.674e-04 1.137e-03 /

3052.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-0.9	+2.5	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-10.3	-1.0	+2.5	+4.3

Chebyshev(coeffs=[[-3.08088,-0.256102,-0.144225,-0.0529169],[12.7985,0.141862,0.0720272,0.0201007],[0.474106,0.0825107,0.0485674,0.0182628],[0.130867,0.0332794,0.0200747,0.0086915],[0.00562862,-0.00874041,-0.00338376,0.000438965],[-0.0140066,-0.0135334,-0.00665885,-0.0014875]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.15
S298 (cal/mol*K) = 17.19
G298 (kcal/mol) = 32.03

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H6(74); H(25), C3H5(597); C7H10(18)+H(25)(+M)=>C3H5(597)+C4H6(74)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.081e+00 -2.561e-01 -1.442e-01 -5.292e-02 / CHEB/ 1.280e+01 1.419e-01 7.203e-02 2.010e-02 / CHEB/ 4.741e-01 8.251e-02 4.857e-02 1.826e-02 / CHEB/ 1.309e-01 3.328e-02 2.007e-02 8.692e-03 / CHEB/ 5.629e-03 -8.740e-03 -3.384e-03 4.390e-04 / CHEB/ -1.401e-02 -1.353e-02 -6.659e-03 -1.487e-03 /

3053.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	-0.8	+2.0	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-0.9	+2.0	+3.6

Chebyshev(coeffs=[[-0.446333,-0.378827,-0.187054,-0.0524792],[9.00146,0.232365,0.0954548,0.0150634],[0.827263,0.108715,0.0606563,0.0164708],[0.190456,0.0383152,0.0233537,0.0100955],[0.0139303,-0.0120592,-0.00319037,0.00283375],[-0.0114359,-0.0162519,-0.00701127,-0.000773231]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.80
S298 (cal/mol*K) = 0.08
G298 (kcal/mol) = 19.78

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(68); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(68)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.463e-01 -3.788e-01 -1.871e-01 -5.248e-02 / CHEB/ 9.001e+00 2.324e-01 9.545e-02 1.506e-02 / CHEB/ 8.273e-01 1.087e-01 6.066e-02 1.647e-02 / CHEB/ 1.905e-01 3.832e-02 2.335e-02 1.010e-02 / CHEB/ 1.393e-02 -1.206e-02 -3.190e-03 2.834e-03 / CHEB/ -1.144e-02 -1.625e-02 -7.011e-03 -7.732e-04 /

3054.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	-0.8	+2.0	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-0.9	+2.0	+3.6

Chebyshev(coeffs=[[-0.437221,-0.381714,-0.18818,-0.0526755],[9.00061,0.234729,0.0960422,0.0149716],[0.827464,0.108473,0.0607453,0.0165453],[0.190181,0.0385302,0.0234812,0.0101723],[0.0139004,-0.0118283,-0.00309221,0.0028556],[-0.0114565,-0.0161295,-0.00695022,-0.000767848]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.80
S298 (cal/mol*K) = 0.08
G298 (kcal/mol) = 19.78

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(66); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(66)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.372e-01 -3.817e-01 -1.882e-01 -5.268e-02 / CHEB/ 9.001e+00 2.347e-01 9.604e-02 1.497e-02 / CHEB/ 8.275e-01 1.085e-01 6.075e-02 1.655e-02 / CHEB/ 1.902e-01 3.853e-02 2.348e-02 1.017e-02 / CHEB/ 1.390e-02 -1.183e-02 -3.092e-03 2.856e-03 / CHEB/ -1.146e-02 -1.613e-02 -6.950e-03 -7.678e-04 /

3055.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.8	+3.3	+3.1	+2.8
log₁₀(k(10 bar)/[mole,m,s])	+4.2	+3.9	+3.9	+3.7

Chebyshev(coeffs=[[9.36205,1.20833,-0.287746,-0.0406585],[-0.561121,0.346349,0.092449,0.00390137],[-0.079934,0.20731,0.0590284,-0.0131662],[0.0470654,0.0965843,0.0343607,-0.00146302],[-0.0247925,0.00779769,0.011334,0.00799364],[-0.0664427,-0.013831,0.00151156,0.00572537]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -109.88
S298 (cal/mol*K) = -47.90
G298 (kcal/mol) = -95.60

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(314); H(25), C7H11(314); C7H10(18)+H(25)(+M)=>C7H11(314)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.362e+00 1.208e+00 -2.877e-01 -4.066e-02 / CHEB/ -5.611e-01 3.463e-01 9.245e-02 3.901e-03 / CHEB/ -7.993e-02 2.073e-01 5.903e-02 -1.317e-02 / CHEB/ 4.707e-02 9.658e-02 3.436e-02 -1.463e-03 / CHEB/ -2.479e-02 7.798e-03 1.133e-02 7.994e-03 / CHEB/ -6.644e-02 -1.383e-02 1.512e-03 5.725e-03 /

3056.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.6	-2.6	+0.5	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-2.7	+0.5	+2.2

Chebyshev(coeffs=[[-3.62937,-0.307141,-0.164061,-0.0538746],[11.063,0.175867,0.0818868,0.0182134],[0.576891,0.0953213,0.0546919,0.0181719],[0.14623,0.0363983,0.021929,0.00952604],[0.00583745,-0.00973943,-0.00327735,0.00124281],[-0.0142583,-0.0146095,-0.00681606,-0.00122626]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.41
S298 (cal/mol*K) = 8.56
G298 (kcal/mol) = 27.86

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(236); H(25), CH2(137); C7H10(18)+H(25)(+M)=>C6H9(236)+CH2(137)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.629e+00 -3.071e-01 -1.641e-01 -5.387e-02 / CHEB/ 1.106e+01 1.759e-01 8.189e-02 1.821e-02 / CHEB/ 5.769e-01 9.532e-02 5.469e-02 1.817e-02 / CHEB/ 1.462e-01 3.640e-02 2.193e-02 9.526e-03 / CHEB/ 5.837e-03 -9.739e-03 -3.277e-03 1.243e-03 / CHEB/ -1.426e-02 -1.461e-02 -6.816e-03 -1.226e-03 /

3057.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.5	+5.8	+5.9	+5.9
log₁₀(k(10 bar)/[mole,m,s])	+4.9	+5.5	+5.8	+5.9

Chebyshev(coeffs=[[11.3305,-0.677837,-0.252975,-0.0328523],[0.416811,0.347343,0.0910264,-0.00682118],[0.118141,0.198331,0.0703311,-0.00333371],[0.0277626,0.0802642,0.037619,0.00556926],[-0.0225803,-0.00549635,0.00777653,0.00919195],[-0.0237081,-0.020458,-0.00300716,0.00443803]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -66.85
S298 (cal/mol*K) = -34.70
G298 (kcal/mol) = -56.51

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(646); H(25), C7H11(646); C7H10(18)+H(25)(+M)=>C7H11(646)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.133e+01 -6.778e-01 -2.530e-01 -3.285e-02 / CHEB/ 4.168e-01 3.473e-01 9.103e-02 -6.821e-03 / CHEB/ 1.181e-01 1.983e-01 7.033e-02 -3.334e-03 / CHEB/ 2.776e-02 8.026e-02 3.762e-02 5.569e-03 / CHEB/ -2.258e-02 -5.496e-03 7.777e-03 9.192e-03 / CHEB/ -2.371e-02 -2.046e-02 -3.007e-03 4.438e-03 /

3058.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+2.1	+4.1	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-2.6	+1.9	+4.0	+5.2

Chebyshev(coeffs=[[4.66678,-0.515122,-0.216493,-0.0432071],[5.49511,0.3318,0.102041,0.00259092],[0.869549,0.134213,0.0716195,0.0119475],[0.152718,0.0447103,0.0287181,0.0114614],[0.000128686,-0.013262,-0.00205854,0.00553822],[-0.0156609,-0.0183718,-0.00697855,0.000251852]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.78
S298 (cal/mol*K) = 6.00
G298 (kcal/mol) = -4.57

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(574); H(25), CH2(T)(82); C7H10(18)+H(25)(+M)=>CH2(T)(82)+C6H9(574)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.667e+00 -5.151e-01 -2.165e-01 -4.321e-02 / CHEB/ 5.495e+00 3.318e-01 1.020e-01 2.591e-03 / CHEB/ 8.695e-01 1.342e-01 7.162e-02 1.195e-02 / CHEB/ 1.527e-01 4.471e-02 2.872e-02 1.146e-02 / CHEB/ 1.287e-04 -1.326e-02 -2.059e-03 5.538e-03 / CHEB/ -1.566e-02 -1.837e-02 -6.979e-03 2.519e-04 /

3059.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.6	-4.2	-0.8	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-4.3	-0.8	+1.1

Chebyshev(coeffs=[[-5.41435,-0.306117,-0.163378,-0.0537012],[11.5062,0.180798,0.084316,0.0190065],[0.758671,0.0932285,0.0538215,0.0180617],[0.201136,0.0346498,0.0210497,0.00932755],[0.0275793,-0.0106826,-0.00367919,0.00121838],[-0.00711193,-0.0147812,-0.00694502,-0.0013018]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.20
S298 (cal/mol*K) = -1.87
G298 (kcal/mol) = 30.76

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(647); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(647)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.414e+00 -3.061e-01 -1.634e-01 -5.370e-02 / CHEB/ 1.151e+01 1.808e-01 8.432e-02 1.901e-02 / CHEB/ 7.587e-01 9.323e-02 5.382e-02 1.806e-02 / CHEB/ 2.011e-01 3.465e-02 2.105e-02 9.328e-03 / CHEB/ 2.758e-02 -1.068e-02 -3.679e-03 1.218e-03 / CHEB/ -7.112e-03 -1.478e-02 -6.945e-03 -1.302e-03 /

3064.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	+0.2	+2.0	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-5.3	-0.1	+1.9	+2.9

Chebyshev(coeffs=[[1.64167,-0.413562,-0.140584,-0.00730932],[6.87023,0.231066,0.0583424,-0.00744193],[0.379946,0.0679617,0.0211788,-0.00402462],[0.0311285,0.0480127,0.0175488,0.00152743],[-0.0283511,0.0267115,0.0118495,0.00200284],[-0.026201,0.00373351,0.00545231,0.00223369]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.75
S298 (cal/mol*K) = -1.00
G298 (kcal/mol) = 15.04

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(347); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(347)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.642e+00 -4.136e-01 -1.406e-01 -7.309e-03 / CHEB/ 6.870e+00 2.311e-01 5.834e-02 -7.442e-03 / CHEB/ 3.799e-01 6.796e-02 2.118e-02 -4.025e-03 / CHEB/ 3.113e-02 4.801e-02 1.755e-02 1.527e-03 / CHEB/ -2.835e-02 2.671e-02 1.185e-02 2.003e-03 / CHEB/ -2.620e-02 3.734e-03 5.452e-03 2.234e-03 /

3065.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	+0.0	+1.9	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-5.5	-0.2	+1.8	+2.8

Chebyshev(coeffs=[[1.43524,-0.406856,-0.140129,-0.00831575],[6.98397,0.225065,0.0584178,-0.00630845],[0.371462,0.0677072,0.0209625,-0.00399269],[0.0304813,0.0481094,0.0175595,0.00143547],[-0.0282834,0.026666,0.0118565,0.00198994],[-0.0260761,0.00369609,0.00540024,0.00224981]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.11
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = 17.17

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(21); H(25), H(25); C7H10(65)+H(25)(+M)=>C7H10(21)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.435e+00 -4.069e-01 -1.401e-01 -8.316e-03 / CHEB/ 6.984e+00 2.251e-01 5.842e-02 -6.308e-03 / CHEB/ 3.715e-01 6.771e-02 2.096e-02 -3.993e-03 / CHEB/ 3.048e-02 4.811e-02 1.756e-02 1.435e-03 / CHEB/ -2.828e-02 2.667e-02 1.186e-02 1.990e-03 / CHEB/ -2.608e-02 3.696e-03 5.400e-03 2.250e-03 /

3066.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-1.7	+0.4	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-8.2	-1.9	+0.3	+1.3

Chebyshev(coeffs=[[-1.37787,-0.321893,-0.128354,-0.0202012],[8.53421,0.146162,0.0507222,0.00725968],[0.212374,0.0637231,0.0193207,-0.00395651],[0.00946492,0.0503819,0.0180104,0.000268538],[-0.0301881,0.0263524,0.011926,0.00187921],[-0.0256624,0.00323613,0.00477595,0.00241734]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.02
S298 (cal/mol*K) = -22.31
G298 (kcal/mol) = -10.37

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(348); H(25), C7H11(348); C7H10(65)+H(25)(+M)=>C7H11(348)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.378e+00 -3.219e-01 -1.284e-01 -2.020e-02 / CHEB/ 8.534e+00 1.462e-01 5.072e-02 7.260e-03 / CHEB/ 2.124e-01 6.372e-02 1.932e-02 -3.957e-03 / CHEB/ 9.465e-03 5.038e-02 1.801e-02 2.685e-04 / CHEB/ -3.019e-02 2.635e-02 1.193e-02 1.879e-03 / CHEB/ -2.566e-02 3.236e-03 4.776e-03 2.417e-03 /

3067.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+0.2	+2.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-4.9	-0.0	+1.9	+2.8

Chebyshev(coeffs=[[2.05423,-0.447282,-0.141899,-0.00230773],[6.30289,0.260459,0.0564763,-0.0129765],[0.415194,0.0690761,0.0224309,-0.004334],[0.0314276,0.0478166,0.0175252,0.00195586],[-0.0293386,0.0270037,0.0118131,0.00208082],[-0.0271309,0.00392815,0.0057266,0.00214712]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.72
S298 (cal/mol*K) = -23.04
G298 (kcal/mol) = -14.85

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(325); H(25), C7H11(325); C7H10(65)+H(25)(+M)=>C7H11(325)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.054e+00 -4.473e-01 -1.419e-01 -2.308e-03 / CHEB/ 6.303e+00 2.605e-01 5.648e-02 -1.298e-02 / CHEB/ 4.152e-01 6.908e-02 2.243e-02 -4.334e-03 / CHEB/ 3.143e-02 4.782e-02 1.753e-02 1.956e-03 / CHEB/ -2.934e-02 2.700e-02 1.181e-02 2.081e-03 / CHEB/ -2.713e-02 3.928e-03 5.727e-03 2.147e-03 /

3068.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+1.2	+2.1	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-1.6	+0.8	+1.9	+2.4

Chebyshev(coeffs=[[5.34309,-0.666893,-0.125523,0.017087],[2.66358,0.406922,0.0151723,-0.0234129],[0.383078,0.0982019,0.0237088,-0.018756],[0.0318193,0.0579245,0.0206012,0.00269812],[-0.0270191,0.0287471,0.0130667,0.0042512],[-0.0330045,0.00406213,0.00766711,0.00177674]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.12
S298 (cal/mol*K) = -24.42
G298 (kcal/mol) = -12.84

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(349); H(25), C7H11(349); C7H10(65)+H(25)(+M)=>C7H11(349)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.343e+00 -6.669e-01 -1.255e-01 1.709e-02 / CHEB/ 2.664e+00 4.069e-01 1.517e-02 -2.341e-02 / CHEB/ 3.831e-01 9.820e-02 2.371e-02 -1.876e-02 / CHEB/ 3.182e-02 5.792e-02 2.060e-02 2.698e-03 / CHEB/ -2.702e-02 2.875e-02 1.307e-02 4.251e-03 / CHEB/ -3.300e-02 4.062e-03 7.667e-03 1.777e-03 /

3069.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.0	-11.5	-5.7	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-29.1	-11.5	-5.8	-2.9

Chebyshev(coeffs=[[-21.7278,-0.0684334,-0.0351671,-0.00940102],[24.9953,0.0176308,0.00865303,0.00190242],[-0.151784,0.0352071,0.0149636,0.000711103],[-0.0230776,0.0169453,0.00866644,0.00230847],[-0.00411731,0.00041867,0.00275346,0.00326268],[-0.00180865,-0.00356474,-0.000378073,0.00134367]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.98
S298 (cal/mol*K) = 9.62
G298 (kcal/mol) = 79.11

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(48); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.173e+01 -6.843e-02 -3.517e-02 -9.401e-03 / CHEB/ 2.500e+01 1.763e-02 8.653e-03 1.902e-03 / CHEB/ -1.518e-01 3.521e-02 1.496e-02 7.111e-04 / CHEB/ -2.308e-02 1.695e-02 8.666e-03 2.308e-03 / CHEB/ -4.117e-03 4.187e-04 2.753e-03 3.263e-03 / CHEB/ -1.809e-03 -3.565e-03 -3.781e-04 1.344e-03 /

3070.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.4	-10.8	-5.0	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-28.5	-10.8	-5.0	-2.1

Chebyshev(coeffs=[[-21.099,-0.0684334,-0.0351671,-0.00940102],[25.1073,0.0176308,0.00865303,0.00190242],[-0.127042,0.0352071,0.0149636,0.000711103],[-0.0157931,0.0169453,0.00866644,0.00230847],[-0.00170541,0.00041867,0.00275346,0.00326268],[-0.000958937,-0.00356474,-0.000378073,0.00134367]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.98
S298 (cal/mol*K) = 9.62
G298 (kcal/mol) = 79.11

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(49); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(49)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.110e+01 -6.843e-02 -3.517e-02 -9.401e-03 / CHEB/ 2.511e+01 1.763e-02 8.653e-03 1.902e-03 / CHEB/ -1.270e-01 3.521e-02 1.496e-02 7.111e-04 / CHEB/ -1.579e-02 1.695e-02 8.666e-03 2.308e-03 / CHEB/ -1.705e-03 4.187e-04 2.753e-03 3.263e-03 / CHEB/ -9.589e-04 -3.565e-03 -3.781e-04 1.344e-03 /

3071.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.6	-10.1	-4.6	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-26.7	-10.1	-4.6	-2.0

Chebyshev(coeffs=[[-19.4028,-0.0756986,-0.0379048,-0.00934458],[23.5902,0.0177186,0.00809629,0.00130685],[-0.120051,0.0374606,0.0152258,-8.08643e-06],[-0.0165572,0.0197875,0.00991555,0.00245493],[-0.00310576,0.00199354,0.00386646,0.00375835],[-0.00183479,-0.00340525,-3.05533e-05,0.00164646]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.28
S298 (cal/mol*K) = 8.89
G298 (kcal/mol) = 74.63

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(50); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.940e+01 -7.570e-02 -3.790e-02 -9.345e-03 / CHEB/ 2.359e+01 1.772e-02 8.096e-03 1.307e-03 / CHEB/ -1.201e-01 3.746e-02 1.523e-02 -8.086e-06 / CHEB/ -1.656e-02 1.979e-02 9.916e-03 2.455e-03 / CHEB/ -3.106e-03 1.994e-03 3.866e-03 3.758e-03 / CHEB/ -1.835e-03 -3.405e-03 -3.055e-05 1.646e-03 /

3072.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.6	-10.1	-4.6	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-26.7	-10.1	-4.6	-2.0

H298 (kcal/mol) = 77.28
S298 (cal/mol*K) = 8.89
G298 (kcal/mol) = 74.63

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(51); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(51)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.940e+01 -7.570e-02 -3.790e-02 -9.345e-03 / CHEB/ 2.359e+01 1.772e-02 8.096e-03 1.307e-03 / CHEB/ -1.201e-01 3.746e-02 1.523e-02 -8.086e-06 / CHEB/ -1.656e-02 1.979e-02 9.916e-03 2.455e-03 / CHEB/ -3.106e-03 1.994e-03 3.866e-03 3.758e-03 / CHEB/ -1.835e-03 -3.405e-03 -3.055e-05 1.646e-03 /

3073.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.3	-10.4	-4.9	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-27.4	-10.5	-4.9	-2.1

Chebyshev(coeffs=[[-20.0546,-0.0734279,-0.0370545,-0.00935522],[24.0617,0.0178508,0.00834646,0.00149752],[-0.113616,0.036769,0.0151556,0.000218149],[-0.0168569,0.0188134,0.00949609,0.00241482],[-0.00340081,0.00144355,0.00349511,0.00360738],[-0.0013855,-0.00346507,-0.000148315,0.0015483]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.88
S298 (cal/mol*K) = 8.89
G298 (kcal/mol) = 76.23

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(52); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.005e+01 -7.343e-02 -3.705e-02 -9.355e-03 / CHEB/ 2.406e+01 1.785e-02 8.346e-03 1.498e-03 / CHEB/ -1.136e-01 3.677e-02 1.516e-02 2.181e-04 / CHEB/ -1.686e-02 1.881e-02 9.496e-03 2.415e-03 / CHEB/ -3.401e-03 1.444e-03 3.495e-03 3.607e-03 / CHEB/ -1.385e-03 -3.465e-03 -1.483e-04 1.548e-03 /

3074.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.0	-10.1	-4.6	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-27.1	-10.2	-4.6	-1.8

Chebyshev(coeffs=[[-19.7321,-0.0741614,-0.0373284,-0.00934983],[24.0156,0.0178475,0.0082824,0.00143677],[-0.0897195,0.0369863,0.0151773,0.00014579],[-0.0100206,0.0191085,0.00962495,0.00242898],[-0.00123984,0.00161144,0.00361028,0.00365566],[-0.000676939,-0.00344672,-0.000112187,0.00157863]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 78.38
S298 (cal/mol*K) = 7.51
G298 (kcal/mol) = 76.14

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(350); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(350)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.973e+01 -7.416e-02 -3.733e-02 -9.350e-03 / CHEB/ 2.402e+01 1.785e-02 8.282e-03 1.437e-03 / CHEB/ -8.972e-02 3.699e-02 1.518e-02 1.458e-04 / CHEB/ -1.002e-02 1.911e-02 9.625e-03 2.429e-03 / CHEB/ -1.240e-03 1.611e-03 3.610e-03 3.656e-03 / CHEB/ -6.769e-04 -3.447e-03 -1.122e-04 1.579e-03 /

3075.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-5.5	-2.4	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-14.7	-5.6	-2.5	-0.9

Chebyshev(coeffs=[[-7.76798,-0.183195,-0.0843316,-0.024025],[12.674,0.0568055,0.0243296,0.0124596],[0.187123,0.0473439,0.0170263,-0.00181971],[0.0292602,0.0462695,0.0187165,0.000823402],[-0.00829318,0.0212122,0.0113152,0.00273778],[-0.0108406,0.000144951,0.00286501,0.00264152]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.39
S298 (cal/mol*K) = -20.04
G298 (kcal/mol) = -15.42

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(351); H(25), C7H11(351); C7H10(65)+H(25)(+M)=>C7H11(351)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.768e+00 -1.832e-01 -8.433e-02 -2.402e-02 / CHEB/ 1.267e+01 5.681e-02 2.433e-02 1.246e-02 / CHEB/ 1.871e-01 4.734e-02 1.703e-02 -1.820e-03 / CHEB/ 2.926e-02 4.627e-02 1.872e-02 8.234e-04 / CHEB/ -8.293e-03 2.121e-02 1.132e-02 2.738e-03 / CHEB/ -1.084e-02 1.450e-04 2.865e-03 2.642e-03 /

3076.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.0	-15.1	-8.5	-5.1
log₁₀(k(10 bar)/[mole,m,s])	-35.1	-15.2	-8.5	-5.1

Chebyshev(coeffs=[[-27.4,-0.0551101,-0.0297157,-0.00923639],[28.2139,0.0176629,0.00952012,0.00292372],[0.00724662,0.0299964,0.0139042,0.00197594],[0.0207207,0.0119363,0.00640128,0.0019904],[0.010718,-0.00192129,0.000849008,0.00216261],[0.00521166,-0.0037302,-0.00100246,0.000694357]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.68
S298 (cal/mol*K) = -0.13
G298 (kcal/mol) = 91.72

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(352); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(352)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.740e+01 -5.511e-02 -2.972e-02 -9.236e-03 / CHEB/ 2.821e+01 1.766e-02 9.520e-03 2.924e-03 / CHEB/ 7.247e-03 3.000e-02 1.390e-02 1.976e-03 / CHEB/ 2.072e-02 1.194e-02 6.401e-03 1.990e-03 / CHEB/ 1.072e-02 -1.921e-03 8.490e-04 2.163e-03 / CHEB/ 5.212e-03 -3.730e-03 -1.002e-03 6.944e-04 /

3104.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.5	+2.4	+3.4	+4.1
log₁₀(k(10 bar)/[mole,m,s])	+0.0	+2.1	+3.3	+4.0

Chebyshev(coeffs=[[7.01756,-0.632827,-0.242851,-0.0354503],[2.15545,0.369355,0.102098,-0.00459542],[0.701791,0.180957,0.0730932,0.0023201],[0.173431,0.0632142,0.0354788,0.00885436],[0.00903634,-0.0125519,0.00400757,0.00902782],[-0.0153465,-0.0215739,-0.00555077,0.00306286]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.78
S298 (cal/mol*K) = -13.07
G298 (kcal/mol) = -24.89

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(150); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(150)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.018e+00 -6.328e-01 -2.429e-01 -3.545e-02 / CHEB/ 2.155e+00 3.694e-01 1.021e-01 -4.595e-03 / CHEB/ 7.018e-01 1.810e-01 7.309e-02 2.320e-03 / CHEB/ 1.734e-01 6.321e-02 3.548e-02 8.854e-03 / CHEB/ 9.036e-03 -1.255e-02 4.008e-03 9.028e-03 / CHEB/ -1.535e-02 -2.157e-02 -5.551e-03 3.063e-03 /

3105.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.7	+2.9	+4.2	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+2.6	+4.1	+4.9

Chebyshev(coeffs=[[7.32818,-0.619307,-0.240114,-0.0364304],[2.5601,0.370938,0.104007,-0.0038917],[0.793363,0.173572,0.0729093,0.0038496],[0.183641,0.0590323,0.034483,0.00943961],[0.00857789,-0.0133052,0.00300516,0.00869327],[-0.0155317,-0.0212109,-0.00598938,0.00262647]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.10
S298 (cal/mol*K) = -9.68
G298 (kcal/mol) = -22.22

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(302); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(302)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.328e+00 -6.193e-01 -2.401e-01 -3.643e-02 / CHEB/ 2.560e+00 3.709e-01 1.040e-01 -3.892e-03 / CHEB/ 7.934e-01 1.736e-01 7.291e-02 3.850e-03 / CHEB/ 1.836e-01 5.903e-02 3.448e-02 9.440e-03 / CHEB/ 8.578e-03 -1.331e-02 3.005e-03 8.693e-03 / CHEB/ -1.553e-02 -2.121e-02 -5.989e-03 2.626e-03 /

3106.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.2	+4.2	+4.7	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+2.6	+3.8	+4.5	+4.9

Chebyshev(coeffs=[[9.31044,-0.668174,-0.250969,-0.0335475],[1.13546,0.35304,0.0935546,-0.00645688],[0.370002,0.194991,0.071144,-0.00211153],[0.0839107,0.0764807,0.0373551,0.00640221],[-0.017313,-0.00725229,0.00701637,0.00925979],[-0.0234966,-0.0208766,-0.00361859,0.00416829]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.19
S298 (cal/mol*K) = -29.81
G298 (kcal/mol) = -63.31

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(648); H(25), C7H11(648); C7H10(18)+H(25)(+M)=>C7H11(648)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.310e+00 -6.682e-01 -2.510e-01 -3.355e-02 / CHEB/ 1.135e+00 3.530e-01 9.355e-02 -6.457e-03 / CHEB/ 3.700e-01 1.950e-01 7.114e-02 -2.112e-03 / CHEB/ 8.391e-02 7.648e-02 3.736e-02 6.402e-03 / CHEB/ -1.731e-02 -7.252e-03 7.016e-03 9.260e-03 / CHEB/ -2.350e-02 -2.088e-02 -3.619e-03 4.168e-03 /

3107.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.5	+1.2	+2.7	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+1.0	+2.6	+3.5

Chebyshev(coeffs=[[5.23088,-0.5955,-0.235637,-0.0383717],[3.23931,0.367564,0.1058,-0.00250107],[0.890105,0.160635,0.0719675,0.00618583],[0.183493,0.0540069,0.0328475,0.0100365],[0.00789016,-0.0134952,0.00163108,0.00799034],[-0.0156834,-0.0204093,-0.00640733,0.00199312]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.69
S298 (cal/mol*K) = -31.87
G298 (kcal/mol) = -50.19

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(649); H(25), C7H11(649); C7H10(18)+H(25)(+M)=>C7H11(649)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.231e+00 -5.955e-01 -2.356e-01 -3.837e-02 / CHEB/ 3.239e+00 3.676e-01 1.058e-01 -2.501e-03 / CHEB/ 8.901e-01 1.606e-01 7.197e-02 6.186e-03 / CHEB/ 1.835e-01 5.401e-02 3.285e-02 1.004e-02 / CHEB/ 7.890e-03 -1.350e-02 1.631e-03 7.990e-03 / CHEB/ -1.568e-02 -2.041e-02 -6.407e-03 1.993e-03 /

3108.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.3	+2.7	+3.5	+3.9
log₁₀(k(10 bar)/[mole,m,s])	+0.8	+2.4	+3.3	+3.8

Chebyshev(coeffs=[[7.61303,-0.655422,-0.247972,-0.0344308],[1.60978,0.359643,0.0958903,-0.00609103],[0.507621,0.188689,0.0718533,-0.000478965],[0.119021,0.0707037,0.0366569,0.00743701],[-0.00606887,-0.00920874,0.00581479,0.00915102],[-0.0206334,-0.0207464,-0.00431666,0.00368613]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -62.69
S298 (cal/mol*K) = -29.17
G298 (kcal/mol) = -54.00

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(650); H(25), C7H11(650); C7H10(18)+H(25)(+M)=>C7H11(650)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.613e+00 -6.554e-01 -2.480e-01 -3.443e-02 / CHEB/ 1.610e+00 3.596e-01 9.589e-02 -6.091e-03 / CHEB/ 5.076e-01 1.887e-01 7.185e-02 -4.790e-04 / CHEB/ 1.190e-01 7.070e-02 3.666e-02 7.437e-03 / CHEB/ -6.069e-03 -9.209e-03 5.815e-03 9.151e-03 / CHEB/ -2.063e-02 -2.075e-02 -4.317e-03 3.686e-03 /

3109.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+0.7	+1.8	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-1.9	+0.4	+1.7	+2.4

Chebyshev(coeffs=[[5.16635,-0.625241,-0.241647,-0.0362049],[2.37588,0.368108,0.102372,-0.00432656],[0.72926,0.175683,0.0725729,0.00308273],[0.165051,0.0611287,0.034862,0.00905272],[0.00326014,-0.0123696,0.00354934,0.00875342],[-0.0177672,-0.0210151,-0.00565759,0.00282055]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.69
S298 (cal/mol*K) = -31.87
G298 (kcal/mol) = -50.19

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(651); H(25), C7H11(651); C7H10(18)+H(25)(+M)=>C7H11(651)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.166e+00 -6.252e-01 -2.416e-01 -3.620e-02 / CHEB/ 2.376e+00 3.681e-01 1.024e-01 -4.327e-03 / CHEB/ 7.293e-01 1.757e-01 7.257e-02 3.083e-03 / CHEB/ 1.651e-01 6.113e-02 3.486e-02 9.053e-03 / CHEB/ 3.260e-03 -1.237e-02 3.549e-03 8.753e-03 / CHEB/ -1.777e-02 -2.102e-02 -5.658e-03 2.821e-03 /

3110.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.3	-7.7	-4.9	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-7.9	-4.9	-3.3

Chebyshev(coeffs=[[-7.16823,-0.397556,-0.19305,-0.052115],[8.70273,0.238279,0.0954903,0.0138652],[0.905568,0.117804,0.0634291,0.0154557],[0.218777,0.0408223,0.0246967,0.0102097],[0.00718886,-0.0125548,-0.00288267,0.00346264],[-0.016098,-0.0170236,-0.00707479,-0.000473401]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -80.49
S298 (cal/mol*K) = -34.05
G298 (kcal/mol) = -70.34

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(583); H(25), C7H11(583); C7H10(18)+H(25)(+M)=>C7H11(583)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.168e+00 -3.976e-01 -1.931e-01 -5.211e-02 / CHEB/ 8.703e+00 2.383e-01 9.549e-02 1.387e-02 / CHEB/ 9.056e-01 1.178e-01 6.343e-02 1.546e-02 / CHEB/ 2.188e-01 4.082e-02 2.470e-02 1.021e-02 / CHEB/ 7.189e-03 -1.255e-02 -2.883e-03 3.463e-03 / CHEB/ -1.610e-02 -1.702e-02 -7.075e-03 -4.734e-04 /

3111.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	-2.2	-0.3	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-2.4	-0.3	+0.8

Chebyshev(coeffs=[[0.866488,-0.542438,-0.225555,-0.0425838],[4.74427,0.344602,0.10684,0.00167623],[1.01381,0.141408,0.0699893,0.00999321],[0.180451,0.0483174,0.0300421,0.0105704],[-0.00605668,-0.0133777,-0.000398508,0.00660061],[-0.0194033,-0.0193043,-0.00683116,0.00103163]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.73
S298 (cal/mol*K) = -14.75
G298 (kcal/mol) = 5.13

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(148); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(148)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.665e-01 -5.424e-01 -2.256e-01 -4.258e-02 / CHEB/ 4.744e+00 3.446e-01 1.068e-01 1.676e-03 / CHEB/ 1.014e+00 1.414e-01 6.999e-02 9.993e-03 / CHEB/ 1.805e-01 4.832e-02 3.004e-02 1.057e-02 / CHEB/ -6.057e-03 -1.338e-02 -3.985e-04 6.601e-03 / CHEB/ -1.940e-02 -1.930e-02 -6.831e-03 1.032e-03 /

3112.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-4.0	-1.1	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-4.1	-1.2	+0.5

Chebyshev(coeffs=[[-3.76529,-0.374181,-0.186628,-0.0531822],[9.21254,0.218357,0.0914696,0.0152971],[0.791496,0.114376,0.0618817,0.0160334],[0.209903,0.0405967,0.0242849,0.0100121],[0.0147632,-0.012059,-0.00298782,0.00298217],[-0.0146503,-0.0166539,-0.00705355,-0.000600542]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.91
S298 (cal/mol*K) = -5.56
G298 (kcal/mol) = 24.57

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(149); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(149)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.765e+00 -3.742e-01 -1.866e-01 -5.318e-02 / CHEB/ 9.213e+00 2.184e-01 9.147e-02 1.530e-02 / CHEB/ 7.915e-01 1.144e-01 6.188e-02 1.603e-02 / CHEB/ 2.099e-01 4.060e-02 2.428e-02 1.001e-02 / CHEB/ 1.476e-02 -1.206e-02 -2.988e-03 2.982e-03 / CHEB/ -1.465e-02 -1.665e-02 -7.054e-03 -6.005e-04 /

3113.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	+0.5	+3.1	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-5.4	+0.4	+3.1	+4.6

Chebyshev(coeffs=[[2.10275,-0.451464,-0.205856,-0.0487278],[7.20071,0.286994,0.103784,0.00981286],[1.05795,0.124089,0.066387,0.0141938],[0.237591,0.0408723,0.0257241,0.0106746],[0.0206861,-0.0139993,-0.0027597,0.00453002],[-0.0108691,-0.0180192,-0.00724258,-0.000185869]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.08
S298 (cal/mol*K) = 5.46
G298 (kcal/mol) = 10.45

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(305); H(25), CH3(425); C7H10(18)+H(25)(+M)=>C6H8(305)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.103e+00 -4.515e-01 -2.059e-01 -4.873e-02 / CHEB/ 7.201e+00 2.870e-01 1.038e-01 9.813e-03 / CHEB/ 1.058e+00 1.241e-01 6.639e-02 1.419e-02 / CHEB/ 2.376e-01 4.087e-02 2.572e-02 1.067e-02 / CHEB/ 2.069e-02 -1.400e-02 -2.760e-03 4.530e-03 / CHEB/ -1.087e-02 -1.802e-02 -7.243e-03 -1.859e-04 /

3114.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	-1.2	+1.0	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-1.4	+0.9	+2.3

Chebyshev(coeffs=[[1.33274,-0.507745,-0.218302,-0.0449934],[5.6497,0.325797,0.106857,0.00480387],[1.05316,0.133769,0.0688786,0.0119027],[0.21182,0.0446721,0.0282084,0.0107757],[0.0138348,-0.0139694,-0.00157564,0.00580216],[-0.01298,-0.0189008,-0.00709599,0.000491319]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.11
S298 (cal/mol*K) = -10.44
G298 (kcal/mol) = 8.22

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(57); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(57)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.333e+00 -5.077e-01 -2.183e-01 -4.499e-02 / CHEB/ 5.650e+00 3.258e-01 1.069e-01 4.804e-03 / CHEB/ 1.053e+00 1.338e-01 6.888e-02 1.190e-02 / CHEB/ 2.118e-01 4.467e-02 2.821e-02 1.078e-02 / CHEB/ 1.383e-02 -1.397e-02 -1.576e-03 5.802e-03 / CHEB/ -1.298e-02 -1.890e-02 -7.096e-03 4.913e-04 /

3115.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-4.4	-1.3	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-4.6	-1.4	+0.4

Chebyshev(coeffs=[[-4.76758,-0.351607,-0.179736,-0.0538538],[10.1128,0.201515,0.0879088,0.0165358],[0.79107,0.109854,0.0600561,0.0166768],[0.220123,0.0398502,0.0237349,0.00983647],[0.0203808,-0.0115611,-0.00312799,0.0024764],[-0.0129023,-0.016252,-0.00705835,-0.000768156]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.91
S298 (cal/mol*K) = -8.26
G298 (kcal/mol) = 28.37

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(297); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(297)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.768e+00 -3.516e-01 -1.797e-01 -5.385e-02 / CHEB/ 1.011e+01 2.015e-01 8.791e-02 1.654e-02 / CHEB/ 7.911e-01 1.099e-01 6.006e-02 1.668e-02 / CHEB/ 2.201e-01 3.985e-02 2.373e-02 9.836e-03 / CHEB/ 2.038e-02 -1.156e-02 -3.128e-03 2.476e-03 / CHEB/ -1.290e-02 -1.625e-02 -7.058e-03 -7.682e-04 /

3116.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.3	-4.8	-1.7	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-5.0	-1.7	+0.0

Chebyshev(coeffs=[[-5.19794,-0.352433,-0.179997,-0.0538337],[10.1751,0.202128,0.0880467,0.0164939],[0.812304,0.110023,0.0601255,0.0166544],[0.226003,0.0398787,0.0237548,0.00984324],[0.0222437,-0.0115808,-0.0031236,0.00249472],[-0.01224,-0.0162672,-0.00705847,-0.000762208]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.91
S298 (cal/mol*K) = -8.26
G298 (kcal/mol) = 28.37

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(299); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(299)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.198e+00 -3.524e-01 -1.800e-01 -5.383e-02 / CHEB/ 1.018e+01 2.021e-01 8.805e-02 1.649e-02 / CHEB/ 8.123e-01 1.100e-01 6.013e-02 1.665e-02 / CHEB/ 2.260e-01 3.988e-02 2.375e-02 9.843e-03 / CHEB/ 2.224e-02 -1.158e-02 -3.124e-03 2.495e-03 / CHEB/ -1.224e-02 -1.627e-02 -7.058e-03 -7.622e-04 /

3117.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.2	+0.4	+1.4	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-1.7	+0.1	+1.2	+1.8

Chebyshev(coeffs=[[5.20545,-0.640003,-0.244848,-0.0352744],[1.89064,0.364391,0.0996363,-0.00514781],[0.607818,0.182715,0.072339,0.0013322],[0.142327,0.0659313,0.035815,0.0082679],[-0.00058091,-0.0110221,0.00470024,0.00901227],[-0.0192473,-0.021101,-0.00505213,0.00328505]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.31
S298 (cal/mol*K) = -37.62
G298 (kcal/mol) = -45.10

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(652); H(25), C7H11(652); C7H10(18)+H(25)(+M)=>C7H11(652)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.205e+00 -6.400e-01 -2.448e-01 -3.527e-02 / CHEB/ 1.891e+00 3.644e-01 9.964e-02 -5.148e-03 / CHEB/ 6.078e-01 1.827e-01 7.234e-02 1.332e-03 / CHEB/ 1.423e-01 6.593e-02 3.582e-02 8.268e-03 / CHEB/ -5.809e-04 -1.102e-02 4.700e-03 9.012e-03 / CHEB/ -1.925e-02 -2.110e-02 -5.052e-03 3.285e-03 /

3118.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-0.4	+2.8	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-8.2	-0.5	+2.7	+4.5

Chebyshev(coeffs=[[-0.757064,-0.351931,-0.179516,-0.0536249],[10.1676,0.205701,0.0894302,0.0166885],[0.856767,0.108535,0.059803,0.016853],[0.231754,0.0387609,0.0233071,0.00987094],[0.0219314,-0.0119071,-0.0033454,0.00240082],[-0.0118911,-0.0162534,-0.00713403,-0.00086502]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.43
S298 (cal/mol*K) = 11.56
G298 (kcal/mol) = 13.99

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H6(598); H(25), C3H5(129); C7H10(18)+H(25)(+M)=>C3H5(129)+C4H6(598)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.571e-01 -3.519e-01 -1.795e-01 -5.362e-02 / CHEB/ 1.017e+01 2.057e-01 8.943e-02 1.669e-02 / CHEB/ 8.568e-01 1.085e-01 5.980e-02 1.685e-02 / CHEB/ 2.318e-01 3.876e-02 2.331e-02 9.871e-03 / CHEB/ 2.193e-02 -1.191e-02 -3.345e-03 2.401e-03 / CHEB/ -1.189e-02 -1.625e-02 -7.134e-03 -8.650e-04 /

3119.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.5	-5.7	-1.4	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-17.7	-5.8	-1.4	+0.9

Chebyshev(coeffs=[[-10.2939,-0.196098,-0.117664,-0.0492708],[16.5704,0.0929976,0.0523886,0.0188717],[0.46638,0.0706821,0.0424378,0.0174656],[0.170677,0.0321266,0.0193298,0.00816637],[0.0235895,-0.00640613,-0.00276367,-7.83737e-05],[-0.0104276,-0.0122037,-0.0063553,-0.00172907]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.83
S298 (cal/mol*K) = 7.96
G298 (kcal/mol) = 39.46

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H6(304); H(25), C3H5(597); C7H10(18)+H(25)(+M)=>C3H5(597)+C4H6(304)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.029e+01 -1.961e-01 -1.177e-01 -4.927e-02 / CHEB/ 1.657e+01 9.300e-02 5.239e-02 1.887e-02 / CHEB/ 4.664e-01 7.068e-02 4.244e-02 1.747e-02 / CHEB/ 1.707e-01 3.213e-02 1.933e-02 8.166e-03 / CHEB/ 2.359e-02 -6.406e-03 -2.764e-03 -7.837e-05 / CHEB/ -1.043e-02 -1.220e-02 -6.355e-03 -1.729e-03 /

3120.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-5.3	-2.2	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-5.4	-2.2	-0.5

Chebyshev(coeffs=[[-5.68042,-0.349827,-0.179171,-0.053896],[10.1801,0.200195,0.08761,0.0166253],[0.789787,0.109485,0.059905,0.0167248],[0.22053,0.039789,0.0236922,0.00982175],[0.020702,-0.0115181,-0.00313727,0.00243688],[-0.0128023,-0.0162189,-0.00705802,-0.000780961]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.33
S298 (cal/mol*K) = -7.88
G298 (kcal/mol) = 28.68

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(145); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(145)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.680e+00 -3.498e-01 -1.792e-01 -5.390e-02 / CHEB/ 1.018e+01 2.002e-01 8.761e-02 1.663e-02 / CHEB/ 7.898e-01 1.095e-01 5.990e-02 1.672e-02 / CHEB/ 2.205e-01 3.979e-02 2.369e-02 9.822e-03 / CHEB/ 2.070e-02 -1.152e-02 -3.137e-03 2.437e-03 / CHEB/ -1.280e-02 -1.622e-02 -7.058e-03 -7.810e-04 /

3121.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.3	+4.6	+5.3	+5.8
log₁₀(k(10 bar)/[mole,m,s])	+2.7	+4.3	+5.2	+5.7

Chebyshev(coeffs=[[9.54998,-0.65404,-0.247454,-0.0341262],[1.52328,0.362155,0.0978153,-0.00564599],[0.517655,0.191073,0.0725668,-0.000263014],[0.136251,0.0711148,0.0368799,0.00756992],[0.00345186,-0.0100512,0.00580692,0.00933692],[-0.0166366,-0.021641,-0.00453766,0.00377461]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -37.87
S298 (cal/mol*K) = -11.50
G298 (kcal/mol) = -34.45

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(153); H(25), H(25); C7H10(18)+H(25)(+M)=>C7H10(153)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.550e+00 -6.540e-01 -2.475e-01 -3.413e-02 / CHEB/ 1.523e+00 3.622e-01 9.782e-02 -5.646e-03 / CHEB/ 5.177e-01 1.911e-01 7.257e-02 -2.630e-04 / CHEB/ 1.363e-01 7.111e-02 3.688e-02 7.570e-03 / CHEB/ 3.452e-03 -1.005e-02 5.807e-03 9.337e-03 / CHEB/ -1.664e-02 -2.164e-02 -4.538e-03 3.775e-03 /

3122.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.1	+4.2	+4.9	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+2.5	+3.9	+4.8	+5.3

Chebyshev(coeffs=[[9.27598,-0.657814,-0.248344,-0.033939],[1.41269,0.36013,0.0968197,-0.0058462],[0.479013,0.19244,0.0722998,-0.000746172],[0.1255,0.0725864,0.0370622,0.00728613],[0.000706567,-0.00940211,0.00613818,0.00934616],[-0.0174835,-0.0215231,-0.00431049,0.0038919]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -67.17
S298 (cal/mol*K) = -29.88
G298 (kcal/mol) = -58.27

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(653); H(25), C7H11(653); C7H10(18)+H(25)(+M)=>C7H11(653)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.276e+00 -6.578e-01 -2.483e-01 -3.394e-02 / CHEB/ 1.413e+00 3.601e-01 9.682e-02 -5.846e-03 / CHEB/ 4.790e-01 1.924e-01 7.230e-02 -7.462e-04 / CHEB/ 1.255e-01 7.259e-02 3.706e-02 7.286e-03 / CHEB/ 7.066e-04 -9.402e-03 6.138e-03 9.346e-03 / CHEB/ -1.748e-02 -2.152e-02 -4.310e-03 3.892e-03 /

3123.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+2.4	+3.5	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+2.1	+3.4	+4.1

Chebyshev(coeffs=[[6.85189,-0.624614,-0.241503,-0.0362395],[2.39881,0.368294,0.102503,-0.00428724],[0.735601,0.175409,0.0725883,0.00315797],[0.163942,0.0609238,0.0348202,0.00908689],[0.000805394,-0.012441,0.00349748,0.00874357],[-0.0182949,-0.02102,-0.00568541,0.0028009]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.27
S298 (cal/mol*K) = -31.49
G298 (kcal/mol) = -49.89

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(654); H(25), C7H11(654); C7H10(18)+H(25)(+M)=>C7H11(654)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.852e+00 -6.246e-01 -2.415e-01 -3.624e-02 / CHEB/ 2.399e+00 3.683e-01 1.025e-01 -4.287e-03 / CHEB/ 7.356e-01 1.754e-01 7.259e-02 3.158e-03 / CHEB/ 1.639e-01 6.092e-02 3.482e-02 9.087e-03 / CHEB/ 8.054e-04 -1.244e-02 3.497e-03 8.744e-03 / CHEB/ -1.829e-02 -2.102e-02 -5.685e-03 2.801e-03 /

3124.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.0	+1.9	+2.9	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-0.6	+1.6	+2.8	+3.5

Chebyshev(coeffs=[[6.46178,-0.630634,-0.242802,-0.0358545],[2.22325,0.367024,0.101444,-0.00463176],[0.691047,0.178328,0.0725353,0.00245483],[0.154675,0.0628105,0.035223,0.00878789],[-0.00223422,-0.011941,0.00396006,0.0088604],[-0.0193401,-0.02107,-0.00545335,0.00298908]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.27
S298 (cal/mol*K) = -31.49
G298 (kcal/mol) = -49.89

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(655); H(25), C7H11(655); C7H10(18)+H(25)(+M)=>C7H11(655)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.462e+00 -6.306e-01 -2.428e-01 -3.585e-02 / CHEB/ 2.223e+00 3.670e-01 1.014e-01 -4.632e-03 / CHEB/ 6.910e-01 1.783e-01 7.254e-02 2.455e-03 / CHEB/ 1.547e-01 6.281e-02 3.522e-02 8.788e-03 / CHEB/ -2.234e-03 -1.194e-02 3.960e-03 8.860e-03 / CHEB/ -1.934e-02 -2.107e-02 -5.453e-03 2.989e-03 /

3125.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.8	+4.2	+4.3	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+3.2	+3.8	+4.2	+4.3

Chebyshev(coeffs=[[9.62526,-0.689781,-0.255833,-0.032373],[0.486316,0.339844,0.0878098,-0.00731495],[0.148975,0.20176,0.0691947,-0.00477671],[0.0304323,0.0850246,0.0379979,0.00464144],[-0.0225367,-0.00304143,0.00875372,0.00912278],[-0.0242211,-0.0198756,-0.00226737,0.00474592]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -84.87
S298 (cal/mol*K) = -38.36
G298 (kcal/mol) = -73.44

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(656); H(25), C7H11(656); C7H10(18)+H(25)(+M)=>C7H11(656)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.625e+00 -6.898e-01 -2.558e-01 -3.237e-02 / CHEB/ 4.863e-01 3.398e-01 8.781e-02 -7.315e-03 / CHEB/ 1.490e-01 2.018e-01 6.919e-02 -4.777e-03 / CHEB/ 3.043e-02 8.502e-02 3.800e-02 4.641e-03 / CHEB/ -2.254e-02 -3.041e-03 8.754e-03 9.123e-03 / CHEB/ -2.422e-02 -1.988e-02 -2.267e-03 4.746e-03 /

3126.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.6	-5.7	-1.3	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-17.7	-5.8	-1.4	+1.0

Chebyshev(coeffs=[[-10.3714,-0.194394,-0.116836,-0.049095],[16.692,0.0918931,0.0519046,0.0188169],[0.468373,0.0701836,0.0421858,0.0174157],[0.171535,0.0319998,0.0192645,0.00814654],[0.0240797,-0.00633951,-0.00274509,-9.13626e-05],[-0.0102123,-0.0121422,-0.00633738,-0.00173791]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.25
S298 (cal/mol*K) = 8.34
G298 (kcal/mol) = 39.77

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H7(133); H(25), C2H4(603); C7H10(18)+H(25)(+M)=>C5H7(133)+C2H4(603)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.037e+01 -1.944e-01 -1.168e-01 -4.910e-02 / CHEB/ 1.669e+01 9.189e-02 5.190e-02 1.882e-02 / CHEB/ 4.684e-01 7.018e-02 4.219e-02 1.742e-02 / CHEB/ 1.715e-01 3.200e-02 1.926e-02 8.147e-03 / CHEB/ 2.408e-02 -6.340e-03 -2.745e-03 -9.136e-05 / CHEB/ -1.021e-02 -1.214e-02 -6.337e-03 -1.738e-03 /

3131.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	+2.3	+5.1	+6.3
log₁₀(k(10 bar)/[mole,m,s])	-6.9	+2.0	+5.0	+6.2

Chebyshev(coeffs=[[0.26367,-0.665081,-0.318507,-0.0793254],[11.9051,0.313111,0.133297,0.0229728],[0.232499,0.191595,0.0787167,0.00488624],[-0.0459825,0.0793648,0.0389484,0.00919976],[-0.081869,-0.00427824,0.00761608,0.00946791],[-0.0480739,-0.0150916,-0.00190142,0.00414169]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.06
S298 (cal/mol*K) = 19.95
G298 (kcal/mol) = 24.12

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(353); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(353)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.637e-01 -6.651e-01 -3.185e-01 -7.933e-02 / CHEB/ 1.191e+01 3.131e-01 1.333e-01 2.297e-02 / CHEB/ 2.325e-01 1.916e-01 7.872e-02 4.886e-03 / CHEB/ -4.598e-02 7.936e-02 3.895e-02 9.200e-03 / CHEB/ -8.187e-02 -4.278e-03 7.616e-03 9.468e-03 / CHEB/ -4.807e-02 -1.509e-02 -1.901e-03 4.142e-03 /

3132.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	+3.8	+6.1	+7.0
log₁₀(k(10 bar)/[mole,m,s])	-4.2	+3.4	+5.9	+7.0

Chebyshev(coeffs=[[2.92788,-0.810409,-0.35896,-0.0694099],[9.93935,0.424498,0.158418,0.00952269],[0.277122,0.203685,0.0789386,0.00229449],[-0.0467132,0.0787564,0.0392307,0.00952862],[-0.0882812,-0.00308484,0.00976863,0.0103011],[-0.0518226,-0.0137992,-0.000710832,0.00456847]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.86
S298 (cal/mol*K) = 30.84
G298 (kcal/mol) = 11.67

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C5H9(355); H(25), C#C(354); C7H10(65)+H(25)(+M)=>C5H9(355)+C#C(354)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.928e+00 -8.104e-01 -3.590e-01 -6.941e-02 / CHEB/ 9.939e+00 4.245e-01 1.584e-01 9.523e-03 / CHEB/ 2.771e-01 2.037e-01 7.894e-02 2.294e-03 / CHEB/ -4.671e-02 7.876e-02 3.923e-02 9.529e-03 / CHEB/ -8.828e-02 -3.085e-03 9.769e-03 1.030e-02 / CHEB/ -5.182e-02 -1.380e-02 -7.108e-04 4.568e-03 /

3133.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+3.0	+5.2	+6.1
log₁₀(k(10 bar)/[mole,m,s])	-4.4	+2.6	+5.1	+6.1

Chebyshev(coeffs=[[2.85052,-0.909554,-0.377183,-0.05731],[8.9768,0.522721,0.172887,-0.00540545],[0.384141,0.203836,0.0791355,0.00283596],[-0.0298432,0.0746329,0.03915,0.0104843],[-0.085853,-0.00330234,0.0106771,0.0106882],[-0.0512017,-0.0133888,-0.000414252,0.00465968]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.81
S298 (cal/mol*K) = -1.63
G298 (kcal/mol) = -4.32

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(356); H(25), C7H11(356); C7H10(65)+H(25)(+M)=>C7H11(356)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.851e+00 -9.096e-01 -3.772e-01 -5.731e-02 / CHEB/ 8.977e+00 5.227e-01 1.729e-01 -5.405e-03 / CHEB/ 3.841e-01 2.038e-01 7.914e-02 2.836e-03 / CHEB/ -2.984e-02 7.463e-02 3.915e-02 1.048e-02 / CHEB/ -8.585e-02 -3.302e-03 1.068e-02 1.069e-02 / CHEB/ -5.120e-02 -1.339e-02 -4.143e-04 4.660e-03 /

3134.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	+2.2	+4.4	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-5.4	+1.5	+4.1	+5.2

Chebyshev(coeffs=[[2.4906,-1.9745,-0.538527,-0.0203397],[8.1938,1.417,0.204411,-0.0522036],[0.603488,0.302306,0.160236,0.00122357],[0.0479426,0.101957,0.0578278,0.0116342],[-0.0685295,0.00480002,0.00864891,0.00583251],[-0.0678172,-0.0280138,-0.00230406,0.00446109]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.55
S298 (cal/mol*K) = -4.65
G298 (kcal/mol) = -27.16

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(326); H(25), C7H11(326); C7H10(65)+H(25)(+M)=>C7H11(326)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.491e+00 -1.974e+00 -5.385e-01 -2.034e-02 / CHEB/ 8.194e+00 1.417e+00 2.044e-01 -5.220e-02 / CHEB/ 6.035e-01 3.023e-01 1.602e-01 1.224e-03 / CHEB/ 4.794e-02 1.020e-01 5.783e-02 1.163e-02 / CHEB/ -6.853e-02 4.800e-03 8.649e-03 5.833e-03 / CHEB/ -6.782e-02 -2.801e-02 -2.304e-03 4.461e-03 /

3135.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.7	+4.9	+5.9	+5.9
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+4.8	+6.3	+6.6

Chebyshev(coeffs=[[6.77359,-0.655205,-0.511762,-0.00187271],[5.04083,1.6226,0.0131156,-0.0882978],[0.197152,0.425194,0.115226,-0.0321782],[-0.161938,0.134909,0.0755354,0.00571363],[-0.162013,0.0234216,0.0339519,0.0134335],[-0.0801664,-0.0149797,0.0120313,0.00813176]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.36
S298 (cal/mol*K) = 0.08
G298 (kcal/mol) = -15.38

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(357); H(25), C7H11(357); C7H10(65)+H(25)(+M)=>C7H11(357)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.774e+00 -6.552e-01 -5.118e-01 -1.873e-03 / CHEB/ 5.041e+00 1.623e+00 1.312e-02 -8.830e-02 / CHEB/ 1.972e-01 4.252e-01 1.152e-01 -3.218e-02 / CHEB/ -1.619e-01 1.349e-01 7.554e-02 5.714e-03 / CHEB/ -1.620e-01 2.342e-02 3.395e-02 1.343e-02 / CHEB/ -8.017e-02 -1.498e-02 1.203e-02 8.132e-03 /

3136.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-2.4	+2.4	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-18.2	-2.5	+2.3	+4.5

Chebyshev(coeffs=[[-10.9589,-0.308487,-0.174307,-0.0642985],[21.8838,0.107163,0.0580801,0.0198128],[-0.181808,0.135087,0.068483,0.0171289],[-0.133812,0.0509798,0.0280551,0.00959151],[-0.0919545,-0.0147152,-0.00264704,0.00419252],[-0.0479028,-0.015855,-0.00566554,0.000929316]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.78
S298 (cal/mol*K) = 36.84
G298 (kcal/mol) = 60.80

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C4H6(74); H(25), C3H5(98); C7H10(65)+H(25)(+M)=>C4H6(74)+C3H5(98)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.096e+01 -3.085e-01 -1.743e-01 -6.430e-02 / CHEB/ 2.188e+01 1.072e-01 5.808e-02 1.981e-02 / CHEB/ -1.818e-01 1.351e-01 6.848e-02 1.713e-02 / CHEB/ -1.338e-01 5.098e-02 2.806e-02 9.592e-03 / CHEB/ -9.195e-02 -1.472e-02 -2.647e-03 4.193e-03 / CHEB/ -4.790e-02 -1.586e-02 -5.666e-03 9.293e-04 /

3137.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-0.2	+4.3	+6.4
log₁₀(k(10 bar)/[mole,m,s])	-14.9	-0.4	+4.2	+6.3

Chebyshev(coeffs=[[-7.59742,-0.353511,-0.196129,-0.0690705],[20.111,0.122798,0.0659081,0.0217831],[0.0159494,0.148378,0.072068,0.0150848],[-0.0783539,0.0584646,0.0313248,0.00991099],[-0.0756318,-0.0131373,-0.000691043,0.00565655],[-0.0424763,-0.0164327,-0.00522237,0.00167928]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.18
S298 (cal/mol*K) = 39.39
G298 (kcal/mol) = 53.44

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C4H7(358); H(25), C3H4(73); C7H10(65)+H(25)(+M)=>C3H4(73)+C4H7(358)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.597e+00 -3.535e-01 -1.961e-01 -6.907e-02 / CHEB/ 2.011e+01 1.228e-01 6.591e-02 2.178e-02 / CHEB/ 1.595e-02 1.484e-01 7.207e-02 1.508e-02 / CHEB/ -7.835e-02 5.846e-02 3.132e-02 9.911e-03 / CHEB/ -7.563e-02 -1.314e-02 -6.910e-04 5.657e-03 / CHEB/ -4.248e-02 -1.643e-02 -5.222e-03 1.679e-03 /

3138.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.1	-9.2	-2.6	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-30.3	-9.3	-2.7	+0.4

Chebyshev(coeffs=[[-22.6189,-0.203334,-0.124484,-0.0542534],[29.4198,0.0612311,0.0377407,0.0166334],[-0.164008,0.0978209,0.0555971,0.0201295],[-0.130822,0.0370287,0.0215482,0.00836244],[-0.0886117,-0.0124352,-0.00503295,0.000235346],[-0.046761,-0.012517,-0.00588327,-0.000904365]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 95.84
S298 (cal/mol*K) = 30.27
G298 (kcal/mol) = 86.82

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(111); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(111)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.262e+01 -2.033e-01 -1.245e-01 -5.425e-02 / CHEB/ 2.942e+01 6.123e-02 3.774e-02 1.663e-02 / CHEB/ -1.640e-01 9.782e-02 5.560e-02 2.013e-02 / CHEB/ -1.308e-01 3.703e-02 2.155e-02 8.362e-03 / CHEB/ -8.861e-02 -1.244e-02 -5.033e-03 2.353e-04 / CHEB/ -4.676e-02 -1.252e-02 -5.883e-03 -9.044e-04 /

3139.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.1	-6.7	-0.9	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-25.3	-6.8	-0.9	+1.8

Chebyshev(coeffs=[[-17.757,-0.243342,-0.144278,-0.0587165],[25.8773,0.0828016,0.0490005,0.0197986],[-0.07459,0.116368,0.062486,0.0191818],[-0.103885,0.0410407,0.0235586,0.00890966],[-0.0803355,-0.0160949,-0.00522078,0.0018992],[-0.0435392,-0.0148345,-0.00629947,-0.000259341]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.65
S298 (cal/mol*K) = 24.16
G298 (kcal/mol) = 75.46

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(115); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.776e+01 -2.433e-01 -1.443e-01 -5.872e-02 / CHEB/ 2.588e+01 8.280e-02 4.900e-02 1.980e-02 / CHEB/ -7.459e-02 1.164e-01 6.249e-02 1.918e-02 / CHEB/ -1.039e-01 4.104e-02 2.356e-02 8.910e-03 / CHEB/ -8.034e-02 -1.609e-02 -5.221e-03 1.899e-03 / CHEB/ -4.354e-02 -1.483e-02 -6.299e-03 -2.593e-04 /

3140.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.0	-7.9	-1.3	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-29.2	-8.0	-1.3	+1.7

Chebyshev(coeffs=[[-21.5856,-0.177055,-0.109672,-0.0490151],[29.8203,0.0611171,0.0381887,0.0173352],[-0.259384,0.091109,0.0525298,0.0197656],[-0.161004,0.030216,0.0181891,0.00765976],[-0.0979008,-0.0156094,-0.00697772,-0.000590384],[-0.0488039,-0.0128855,-0.00642662,-0.00142485]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.72
S298 (cal/mol*K) = 39.44
G298 (kcal/mol) = 85.96

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C5H9(355); H(25), C2H2(359); C7H10(65)+H(25)(+M)=>C2H2(359)+C5H9(355)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.159e+01 -1.771e-01 -1.097e-01 -4.902e-02 / CHEB/ 2.982e+01 6.112e-02 3.819e-02 1.734e-02 / CHEB/ -2.594e-01 9.111e-02 5.253e-02 1.977e-02 / CHEB/ -1.610e-01 3.022e-02 1.819e-02 7.660e-03 / CHEB/ -9.790e-02 -1.561e-02 -6.978e-03 -5.904e-04 / CHEB/ -4.880e-02 -1.289e-02 -6.427e-03 -1.425e-03 /

3141.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.7	-5.3	+0.3	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-22.9	-5.5	+0.3	+3.0

Chebyshev(coeffs=[[-15.291,-0.27095,-0.157495,-0.0613732],[24.2901,0.101863,0.058498,0.0221524],[0.135844,0.125962,0.0660183,0.018719],[-0.0484156,0.0433856,0.0247687,0.00927765],[-0.0651297,-0.0175106,-0.00510272,0.0027169],[-0.0390827,-0.0161382,-0.0066304,-4.2547e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.05
S298 (cal/mol*K) = 25.33
G298 (kcal/mol) = 68.51

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(114); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(114)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.529e+01 -2.709e-01 -1.575e-01 -6.137e-02 / CHEB/ 2.429e+01 1.019e-01 5.850e-02 2.215e-02 / CHEB/ 1.358e-01 1.260e-01 6.602e-02 1.872e-02 / CHEB/ -4.842e-02 4.339e-02 2.477e-02 9.278e-03 / CHEB/ -6.513e-02 -1.751e-02 -5.103e-03 2.717e-03 / CHEB/ -3.908e-02 -1.614e-02 -6.630e-03 -4.255e-05 /

3142.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.8	-12.5	-5.1	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-35.9	-12.6	-5.1	-1.7

Chebyshev(coeffs=[[-28.0158,-0.148802,-0.09393,-0.0436317],[32.7566,0.0520575,0.0332198,0.0157414],[-0.141342,0.0790785,0.0470363,0.0191213],[-0.128709,0.0255456,0.0157106,0.00692467],[-0.0857305,-0.0148408,-0.00733973,-0.00150339],[-0.0436485,-0.0117962,-0.00627065,-0.00181726]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 106.39
S298 (cal/mol*K) = 27.18
G298 (kcal/mol) = 98.30

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(360); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(360)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.802e+01 -1.488e-01 -9.393e-02 -4.363e-02 / CHEB/ 3.276e+01 5.206e-02 3.322e-02 1.574e-02 / CHEB/ -1.413e-01 7.908e-02 4.704e-02 1.912e-02 / CHEB/ -1.287e-01 2.555e-02 1.571e-02 6.925e-03 / CHEB/ -8.573e-02 -1.484e-02 -7.340e-03 -1.503e-03 / CHEB/ -4.365e-02 -1.180e-02 -6.271e-03 -1.817e-03 /

3143.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.7	-12.3	-4.8	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-35.8	-12.4	-4.9	-1.3

Chebyshev(coeffs=[[-27.9471,-0.146706,-0.0927202,-0.0431756],[32.9637,0.0522991,0.0333969,0.0158477],[-0.109732,0.078104,0.0465749,0.0190492],[-0.121484,0.0249312,0.0153764,0.00681868],[-0.083347,-0.0149387,-0.00745727,-0.00160784],[-0.0427926,-0.0117481,-0.00628891,-0.0018695]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 106.39
S298 (cal/mol*K) = 27.18
G298 (kcal/mol) = 98.30

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(361); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(361)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.795e+01 -1.467e-01 -9.272e-02 -4.318e-02 / CHEB/ 3.296e+01 5.230e-02 3.340e-02 1.585e-02 / CHEB/ -1.097e-01 7.810e-02 4.657e-02 1.905e-02 / CHEB/ -1.215e-01 2.493e-02 1.538e-02 6.819e-03 / CHEB/ -8.335e-02 -1.494e-02 -7.457e-03 -1.608e-03 / CHEB/ -4.279e-02 -1.175e-02 -6.289e-03 -1.869e-03 /

3144.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.7	-12.0	-4.4	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-35.8	-12.0	-4.4	-0.8

Chebyshev(coeffs=[[-27.928,-0.141817,-0.0899399,-0.0421707],[33.4723,0.0498044,0.0319412,0.0152869],[-0.125436,0.0759857,0.045546,0.0188549],[-0.124668,0.0243777,0.0150733,0.00671852],[-0.0839111,-0.0145926,-0.00738277,-0.0017031],[-0.0427191,-0.0114947,-0.00620402,-0.00189686]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 108.59
S298 (cal/mol*K) = 25.38
G298 (kcal/mol) = 101.03

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(36); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(36)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.793e+01 -1.418e-01 -8.994e-02 -4.217e-02 / CHEB/ 3.347e+01 4.980e-02 3.194e-02 1.529e-02 / CHEB/ -1.254e-01 7.599e-02 4.555e-02 1.885e-02 / CHEB/ -1.247e-01 2.438e-02 1.507e-02 6.719e-03 / CHEB/ -8.391e-02 -1.459e-02 -7.383e-03 -1.703e-03 / CHEB/ -4.272e-02 -1.149e-02 -6.204e-03 -1.897e-03 /

3145.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-43.8	-16.8	-8.2	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-43.9	-16.9	-8.2	-4.1

Chebyshev(coeffs=[[-35.7418,-0.0968278,-0.0632785,-0.0314426],[38.0692,0.0350311,0.0231528,0.0117399],[-0.176287,0.0548825,0.0345493,0.0159313],[-0.141143,0.0166398,0.0106603,0.00510174],[-0.0851593,-0.0123421,-0.00709717,-0.00262054],[-0.0403868,-0.00913756,-0.00540636,-0.00216075]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 123.83
S298 (cal/mol*K) = 25.77
G298 (kcal/mol) = 116.15

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(362); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(362)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.574e+01 -9.683e-02 -6.328e-02 -3.144e-02 / CHEB/ 3.807e+01 3.503e-02 2.315e-02 1.174e-02 / CHEB/ -1.763e-01 5.488e-02 3.455e-02 1.593e-02 / CHEB/ -1.411e-01 1.664e-02 1.066e-02 5.102e-03 / CHEB/ -8.516e-02 -1.234e-02 -7.097e-03 -2.621e-03 / CHEB/ -4.039e-02 -9.138e-03 -5.406e-03 -2.161e-03 /

3150.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+1.1	+2.1	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+0.8	+2.0	+2.7

Chebyshev(coeffs=[[6.00895,-0.87154,-0.147116,-0.0451271],[1.82253,0.712921,0.00518403,0.00888441],[0.606486,0.161457,0.0809994,-0.00937105],[0.212222,-0.00612391,0.0429126,0.022291],[0.0426242,-0.0360923,-0.00606624,0.0107666],[-0.0153831,-0.0173875,-0.00948518,-0.00262575]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.63
S298 (cal/mol*K) = -42.31
G298 (kcal/mol) = -44.03

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(566); C2H4(72), C7H11(566); C5H7(210)+C2H4(72)(+M)=>C7H11(566)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.009e+00 -8.715e-01 -1.471e-01 -4.513e-02 / CHEB/ 1.823e+00 7.129e-01 5.184e-03 8.884e-03 / CHEB/ 6.065e-01 1.615e-01 8.100e-02 -9.371e-03 / CHEB/ 2.122e-01 -6.124e-03 4.291e-02 2.229e-02 / CHEB/ 4.262e-02 -3.609e-02 -6.066e-03 1.077e-02 / CHEB/ -1.538e-02 -1.739e-02 -9.485e-03 -2.626e-03 /

3151.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.4	+2.9	+3.8	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+0.5	+2.4	+3.6	+4.3

Chebyshev(coeffs=[[7.4075,-1.17097,-0.442355,-0.0703433],[2.1057,0.843273,0.197943,-0.0320779],[0.543597,0.155963,0.134939,0.0457216],[0.161244,0.0670883,0.0412854,0.0207023],[0.0421593,0.0249504,0.00761579,0.00233619],[-0.00274535,-0.00905407,-0.0012748,0.000725993]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.95
S298 (cal/mol*K) = -17.94
G298 (kcal/mol) = -18.60

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(80); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(80)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.408e+00 -1.171e+00 -4.424e-01 -7.034e-02 / CHEB/ 2.106e+00 8.433e-01 1.979e-01 -3.208e-02 / CHEB/ 5.436e-01 1.560e-01 1.349e-01 4.572e-02 / CHEB/ 1.612e-01 6.709e-02 4.129e-02 2.070e-02 / CHEB/ 4.216e-02 2.495e-02 7.616e-03 2.336e-03 / CHEB/ -2.745e-03 -9.054e-03 -1.275e-03 7.260e-04 /

3152.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+3.9	+4.6	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+3.3	+4.3	+5.0

Chebyshev(coeffs=[[8.71709,-1.52739,-0.374525,-0.0314101],[1.63971,1.02534,0.0839168,-0.027352],[0.40367,0.27118,0.126261,-0.00975833],[0.145936,0.07522,0.0585168,0.0129994],[0.0533877,0.0226959,0.0103703,0.00799706],[0.00210951,-0.000163534,0.00293866,0.00228434]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.22
S298 (cal/mol*K) = -40.97
G298 (kcal/mol) = -49.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(567); C2H4(72), C7H11(567); C5H7(210)+C2H4(72)(+M)=>C7H11(567)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.717e+00 -1.527e+00 -3.745e-01 -3.141e-02 / CHEB/ 1.640e+00 1.025e+00 8.392e-02 -2.735e-02 / CHEB/ 4.037e-01 2.712e-01 1.263e-01 -9.758e-03 / CHEB/ 1.459e-01 7.522e-02 5.852e-02 1.300e-02 / CHEB/ 5.339e-02 2.270e-02 1.037e-02 7.997e-03 / CHEB/ 2.110e-03 -1.635e-04 2.939e-03 2.284e-03 /

3153.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+3.9	+4.0	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+3.5	+3.6	+3.8	+3.9

Chebyshev(coeffs=[[9.57915,-0.646033,-0.332009,-0.108168],[0.187834,0.289354,0.138823,0.0362854],[0.0797372,0.111546,0.0580818,0.0220147],[0.0713716,0.0919814,0.0413645,0.00902237],[0.0198376,0.0188552,0.00886206,0.0023091],[-0.00523035,-0.0112375,-0.005752,-0.00154958]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.42
S298 (cal/mol*K) = -42.07
G298 (kcal/mol) = -57.89

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(561); C2H4(72), C7H11(561); C5H7(210)+C2H4(72)(+M)=>C7H11(561)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.579e+00 -6.460e-01 -3.320e-01 -1.082e-01 / CHEB/ 1.878e-01 2.894e-01 1.388e-01 3.629e-02 / CHEB/ 7.974e-02 1.115e-01 5.808e-02 2.201e-02 / CHEB/ 7.137e-02 9.198e-02 4.136e-02 9.022e-03 / CHEB/ 1.984e-02 1.886e-02 8.862e-03 2.309e-03 / CHEB/ -5.230e-03 -1.124e-02 -5.752e-03 -1.550e-03 /

3154.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+3.1	+3.7	+4.1
log₁₀(k(10 bar)/[mole,m,s])	+0.9	+2.5	+3.4	+4.0

Chebyshev(coeffs=[[7.98073,-1.47756,-0.34388,-0.0180085],[1.48246,0.948022,0.0421796,-0.0418655],[0.347903,0.280449,0.130247,-0.0102103],[0.118706,0.0787742,0.0594861,0.0138207],[0.0422496,0.0236186,0.00905184,0.00671012],[0.000157131,0.0021036,0.0034896,0.00187278]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -70.42
S298 (cal/mol*K) = -42.07
G298 (kcal/mol) = -57.89

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(568); C2H4(72), C7H11(568); C5H7(210)+C2H4(72)(+M)=>C7H11(568)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.981e+00 -1.478e+00 -3.439e-01 -1.801e-02 / CHEB/ 1.482e+00 9.480e-01 4.218e-02 -4.187e-02 / CHEB/ 3.479e-01 2.804e-01 1.302e-01 -1.021e-02 / CHEB/ 1.187e-01 7.877e-02 5.949e-02 1.382e-02 / CHEB/ 4.225e-02 2.362e-02 9.052e-03 6.710e-03 / CHEB/ 1.571e-04 2.104e-03 3.490e-03 1.873e-03 /

3155.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+3.7	+4.1	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+3.0	+3.8	+4.3

Chebyshev(coeffs=[[8.66234,-1.49635,-0.344641,-0.0171963],[1.20407,0.936844,0.0375733,-0.0407278],[0.260338,0.288894,0.127807,-0.0118139],[0.101793,0.0871973,0.0600626,0.0121672],[0.0426289,0.0269657,0.0101176,0.00624463],[0.00205943,0.00288494,0.00413379,0.00188859]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.22
S298 (cal/mol*K) = -40.97
G298 (kcal/mol) = -49.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(569); C2H4(72), C7H11(569); C5H7(210)+C2H4(72)(+M)=>C7H11(569)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.662e+00 -1.496e+00 -3.446e-01 -1.720e-02 / CHEB/ 1.204e+00 9.368e-01 3.757e-02 -4.073e-02 / CHEB/ 2.603e-01 2.889e-01 1.278e-01 -1.181e-02 / CHEB/ 1.018e-01 8.720e-02 6.006e-02 1.217e-02 / CHEB/ 4.263e-02 2.697e-02 1.012e-02 6.245e-03 / CHEB/ 2.059e-03 2.885e-03 4.134e-03 1.889e-03 /

3156.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.8	+4.1	+3.9	+3.5
log₁₀(k(10 bar)/[mole,m,s])	+3.6	+4.3	+4.4	+4.3

Chebyshev(coeffs=[[9.38777,0.268784,-0.436327,-0.0513402],[0.141331,0.952747,0.0767187,-0.00579873],[-0.00368198,0.274853,0.0948825,-0.0207374],[-0.0521015,0.128121,0.0580115,0.00416114],[-0.0898641,0.0614939,0.0188537,0.00517888],[-0.0726527,0.0173773,0.00868271,0.00103166]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -90.13
S298 (cal/mol*K) = -44.62
G298 (kcal/mol) = -76.84

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(570); C2H4(72), C7H11(570); C5H7(210)+C2H4(72)(+M)=>C7H11(570)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.388e+00 2.688e-01 -4.363e-01 -5.134e-02 / CHEB/ 1.413e-01 9.527e-01 7.672e-02 -5.799e-03 / CHEB/ -3.682e-03 2.749e-01 9.488e-02 -2.074e-02 / CHEB/ -5.210e-02 1.281e-01 5.801e-02 4.161e-03 / CHEB/ -8.986e-02 6.149e-02 1.885e-02 5.179e-03 / CHEB/ -7.265e-02 1.738e-02 8.683e-03 1.032e-03 /

3157.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+3.9	+4.7	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+3.4	+4.5	+5.2

Chebyshev(coeffs=[[8.41451,-1.39509,-0.340997,-0.0206503],[2.07526,0.979362,0.0633453,-0.0457952],[0.518169,0.236786,0.138318,-0.00201029],[0.120907,0.0492361,0.0541839,0.0199875],[0.0269,0.016558,0.00434905,0.00705753],[-0.00760244,0.00157115,0.00173934,0.00110607]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.67
S298 (cal/mol*K) = -6.32
G298 (kcal/mol) = -20.79

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(81); C2H4(72), CH3(425); C5H7(210)+C2H4(72)(+M)=>C6H8(81)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.415e+00 -1.395e+00 -3.410e-01 -2.065e-02 / CHEB/ 2.075e+00 9.794e-01 6.335e-02 -4.580e-02 / CHEB/ 5.182e-01 2.368e-01 1.383e-01 -2.010e-03 / CHEB/ 1.209e-01 4.924e-02 5.418e-02 1.999e-02 / CHEB/ 2.690e-02 1.656e-02 4.349e-03 7.058e-03 / CHEB/ -7.602e-03 1.571e-03 1.739e-03 1.106e-03 /

3158.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	-0.3	+1.7	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-5.8	-0.6	+1.6	+2.8

Chebyshev(coeffs=[[1.57252,-1.06459,-0.35012,-0.0330878],[6.31327,0.848702,0.154693,-0.0482708],[0.723433,0.115155,0.119588,0.0318747],[0.142162,0.0228096,0.0271539,0.0216237],[0.0222368,0.0168675,0.00134791,0.00134184],[-0.00988364,0.00016638,0.00207923,0.00045437]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.10
S298 (cal/mol*K) = 0.73
G298 (kcal/mol) = 9.88

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H6(62); C2H4(72), C2H5(421); C5H7(210)+C2H4(72)(+M)=>C5H6(62)+C2H5(421)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.573e+00 -1.065e+00 -3.501e-01 -3.309e-02 / CHEB/ 6.313e+00 8.487e-01 1.547e-01 -4.827e-02 / CHEB/ 7.234e-01 1.152e-01 1.196e-01 3.187e-02 / CHEB/ 1.422e-01 2.281e-02 2.715e-02 2.162e-02 / CHEB/ 2.224e-02 1.687e-02 1.348e-03 1.342e-03 / CHEB/ -9.884e-03 1.664e-04 2.079e-03 4.544e-04 /

3159.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	-0.5	+1.3	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-4.7	-0.9	+1.2	+2.3

Chebyshev(coeffs=[[2.80121,-1.07387,-0.453419,-0.121497],[4.25948,0.697862,0.245966,0.0624945],[1.03415,0.225935,0.0960994,0.0074393],[0.223316,0.0814374,0.0514131,0.00871409],[0.0199868,-0.00971164,0.00308861,0.00962758],[-0.0116629,-0.0140722,-0.00552998,0.002143]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.62
S298 (cal/mol*K) = -18.53
G298 (kcal/mol) = 0.90

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(63); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(63)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.801e+00 -1.074e+00 -4.534e-01 -1.215e-01 / CHEB/ 4.259e+00 6.979e-01 2.460e-01 6.249e-02 / CHEB/ 1.034e+00 2.259e-01 9.610e-02 7.439e-03 / CHEB/ 2.233e-01 8.144e-02 5.141e-02 8.714e-03 / CHEB/ 1.999e-02 -9.712e-03 3.089e-03 9.628e-03 / CHEB/ -1.166e-02 -1.407e-02 -5.530e-03 2.143e-03 /

3160.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-4.3	-1.4	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-11.5	-4.6	-1.5	+0.2

Chebyshev(coeffs=[[-3.95916,-0.937472,-0.347929,-0.0440588],[8.97044,0.750344,0.180017,-0.0358809],[0.878507,0.0948469,0.101915,0.0376631],[0.215189,0.023426,0.0220889,0.0181179],[0.0448996,0.0170056,0.00310652,0.000510652],[-0.00256194,-0.000438423,0.00194181,0.000765236]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.78
S298 (cal/mol*K) = -12.91
G298 (kcal/mol) = 22.62

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(65); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(65)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.959e+00 -9.375e-01 -3.479e-01 -4.406e-02 / CHEB/ 8.970e+00 7.503e-01 1.800e-01 -3.588e-02 / CHEB/ 8.785e-01 9.485e-02 1.019e-01 3.766e-02 / CHEB/ 2.152e-01 2.343e-02 2.209e-02 1.812e-02 / CHEB/ 4.490e-02 1.701e-02 3.107e-03 5.107e-04 / CHEB/ -2.562e-03 -4.384e-04 1.942e-03 7.652e-04 /

3161.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.9	-1.7	+1.7	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-2.0	+1.6	+3.6

Chebyshev(coeffs=[[-2.90536,-0.772064,-0.32985,-0.0603575],[11.3491,0.621189,0.197036,-0.0123646],[0.816207,0.0703373,0.0780752,0.0394274],[0.234714,0.0240228,0.017703,0.0136238],[0.0614064,0.0164602,0.00501109,0.000160143],[0.00182281,-0.00149311,0.00126237,0.00105522]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.53
S298 (cal/mol*K) = 3.26
G298 (kcal/mol) = 27.56

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H7(571); C2H4(72), C3H4(73); C5H7(210)+C2H4(72)(+M)=>C3H4(73)+C4H7(571)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.905e+00 -7.721e-01 -3.298e-01 -6.036e-02 / CHEB/ 1.135e+01 6.212e-01 1.970e-01 -1.236e-02 / CHEB/ 8.162e-01 7.034e-02 7.808e-02 3.943e-02 / CHEB/ 2.347e-01 2.402e-02 1.770e-02 1.362e-02 / CHEB/ 6.141e-02 1.646e-02 5.011e-03 1.601e-04 / CHEB/ 1.823e-03 -1.493e-03 1.262e-03 1.055e-03 /

3162.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-1.8	+0.5	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-2.0	+0.4	+1.9

Chebyshev(coeffs=[[0.301215,-0.515421,-0.237951,-0.0809939],[6.40756,0.288671,0.0991443,0.0319605],[0.848884,0.0835438,0.0493792,0.00983332],[0.242403,0.0732332,0.0402363,0.0113243],[0.086012,0.0200352,0.0104026,0.00433028],[0.00919949,-0.00641499,-0.00273989,-0.000242694]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.58
S298 (cal/mol*K) = -14.01
G298 (kcal/mol) = 13.75

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(69); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(69)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.012e-01 -5.154e-01 -2.380e-01 -8.099e-02 / CHEB/ 6.408e+00 2.887e-01 9.914e-02 3.196e-02 / CHEB/ 8.489e-01 8.354e-02 4.938e-02 9.833e-03 / CHEB/ 2.424e-01 7.323e-02 4.024e-02 1.132e-02 / CHEB/ 8.601e-02 2.004e-02 1.040e-02 4.330e-03 / CHEB/ 9.199e-03 -6.415e-03 -2.740e-03 -2.427e-04 /

3163.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.2	-3.9	-1.3	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-4.1	-1.4	+0.1

Chebyshev(coeffs=[[-3.47278,-0.729137,-0.35371,-0.101281],[8.65308,0.573046,0.222838,0.027147],[0.706461,0.0479572,0.0652681,0.0420101],[0.165412,0.0490122,0.0263142,0.0117702],[0.0291986,0.0208317,0.00916108,0.00165244],[-0.00315676,-0.00870538,-0.00316994,-0.000177068]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.12
S298 (cal/mol*K) = -17.62
G298 (kcal/mol) = 23.37

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(71); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(71)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.473e+00 -7.291e-01 -3.537e-01 -1.013e-01 / CHEB/ 8.653e+00 5.730e-01 2.228e-01 2.715e-02 / CHEB/ 7.065e-01 4.796e-02 6.527e-02 4.201e-02 / CHEB/ 1.654e-01 4.901e-02 2.631e-02 1.177e-02 / CHEB/ 2.920e-02 2.083e-02 9.161e-03 1.652e-03 / CHEB/ -3.157e-03 -8.705e-03 -3.170e-03 -1.771e-04 /

3164.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+1.3	+2.1	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+0.7	+1.8	+2.5

Chebyshev(coeffs=[[5.86567,-1.44396,-0.341795,-0.0190043],[1.96415,0.966223,0.0512551,-0.0432746],[0.493488,0.265496,0.134486,-0.00704538],[0.147123,0.0654658,0.0580836,0.0165984],[0.0444966,0.0189772,0.00707287,0.00723344],[-0.000516876,0.00113277,0.00244231,0.00168194]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -51.39
S298 (cal/mol*K) = -40.09
G298 (kcal/mol) = -39.45

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(572); C2H4(72), C7H11(572); C5H7(210)+C2H4(72)(+M)=>C7H11(572)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.866e+00 -1.444e+00 -3.418e-01 -1.900e-02 / CHEB/ 1.964e+00 9.662e-01 5.126e-02 -4.327e-02 / CHEB/ 4.935e-01 2.655e-01 1.345e-01 -7.045e-03 / CHEB/ 1.471e-01 6.547e-02 5.808e-02 1.660e-02 / CHEB/ 4.450e-02 1.898e-02 7.073e-03 7.233e-03 / CHEB/ -5.169e-04 1.133e-03 2.442e-03 1.682e-03 /

3165.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.3	+2.0	+2.3	+2.5
log₁₀(k(10 bar)/[mole,m,s])	+0.1	+1.3	+2.0	+2.4

Chebyshev(coeffs=[[7.02728,-1.50599,-0.34613,-0.0169311],[1.05726,0.9269,0.0340338,-0.0404678],[0.200052,0.288458,0.125509,-0.0125981],[0.0799706,0.0897105,0.0593968,0.0111994],[0.0355646,0.0290603,0.0101851,0.00566152],[-0.00152584,0.00410276,0.00436857,0.00159667]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -96.90
S298 (cal/mol*K) = -54.60
G298 (kcal/mol) = -80.63

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(573); C2H4(72), C7H11(573); C5H7(210)+C2H4(72)(+M)=>C7H11(573)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.027e+00 -1.506e+00 -3.461e-01 -1.693e-02 / CHEB/ 1.057e+00 9.269e-01 3.403e-02 -4.047e-02 / CHEB/ 2.001e-01 2.885e-01 1.255e-01 -1.260e-02 / CHEB/ 7.997e-02 8.971e-02 5.940e-02 1.120e-02 / CHEB/ 3.556e-02 2.906e-02 1.019e-02 5.662e-03 / CHEB/ -1.526e-03 4.103e-03 4.369e-03 1.597e-03 /

3166.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.3	-2.5	-0.0	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-2.8	-0.1	+1.4

Chebyshev(coeffs=[[-1.57235,-0.81321,-0.384977,-0.112526],[7.85492,0.533017,0.213949,0.0506754],[0.837676,0.178078,0.0961328,0.0205193],[0.218387,0.0650397,0.0405502,0.0141918],[0.0167717,-0.00981613,-0.00167406,0.00522852],[-0.0147302,-0.0151783,-0.00640106,-0.000263325]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.08
S298 (cal/mol*K) = -6.75
G298 (kcal/mol) = 19.09

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(574); C2H4(72), CH2(137); C5H7(210)+C2H4(72)(+M)=>CH2(137)+C6H9(574)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.572e+00 -8.132e-01 -3.850e-01 -1.125e-01 / CHEB/ 7.855e+00 5.330e-01 2.139e-01 5.068e-02 / CHEB/ 8.377e-01 1.781e-01 9.613e-02 2.052e-02 / CHEB/ 2.184e-01 6.504e-02 4.055e-02 1.419e-02 / CHEB/ 1.677e-02 -9.816e-03 -1.674e-03 5.229e-03 / CHEB/ -1.473e-02 -1.518e-02 -6.401e-03 -2.633e-04 /

3167.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.8	-7.5	-3.0	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-20.1	-7.7	-3.0	-0.5

Chebyshev(coeffs=[[-12.6431,-0.423218,-0.234391,-0.0819365],[17.3637,0.320134,0.156552,0.0357093],[0.515205,0.0344636,0.0339119,0.0244849],[0.175947,0.0287241,0.0166122,0.00708587],[0.0412374,0.0154547,0.00808416,0.00227885],[-0.0026652,-0.0024491,-0.00021073,0.000950146]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.41
S298 (cal/mol*K) = -3.34
G298 (kcal/mol) = 43.40

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(575); C2H4(72), CH2(T)(82); C5H7(210)+C2H4(72)(+M)=>CH2(T)(82)+C6H9(575)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.264e+01 -4.232e-01 -2.344e-01 -8.194e-02 / CHEB/ 1.736e+01 3.201e-01 1.566e-01 3.571e-02 / CHEB/ 5.152e-01 3.446e-02 3.391e-02 2.448e-02 / CHEB/ 1.759e-01 2.872e-02 1.661e-02 7.086e-03 / CHEB/ 4.124e-02 1.545e-02 8.084e-03 2.279e-03 / CHEB/ -2.665e-03 -2.449e-03 -2.107e-04 9.501e-04 /

3168.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-4.4	-1.1	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-4.7	-1.2	+0.8

Chebyshev(coeffs=[[-4.91451,-0.852388,-0.336162,-0.050497],[10.3807,0.70938,0.195416,-0.0250209],[1.03137,0.072758,0.0903826,0.0410655],[0.262328,0.0177523,0.0167764,0.0160503],[0.0599912,0.0148787,0.00277466,-0.000244079],[0.00231029,-0.0017208,0.00122321,0.000658846]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.58
S298 (cal/mol*K) = -13.17
G298 (kcal/mol) = 26.50

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(90); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(90)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.915e+00 -8.524e-01 -3.362e-01 -5.050e-02 / CHEB/ 1.038e+01 7.094e-01 1.954e-01 -2.502e-02 / CHEB/ 1.031e+00 7.276e-02 9.038e-02 4.107e-02 / CHEB/ 2.623e-01 1.775e-02 1.678e-02 1.605e-02 / CHEB/ 5.999e-02 1.488e-02 2.775e-03 -2.441e-04 / CHEB/ 2.310e-03 -1.721e-03 1.223e-03 6.588e-04 /

3169.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	+0.5	+1.9	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+0.0	+1.7	+2.6

Chebyshev(coeffs=[[4.36768,-1.35856,-0.340418,-0.0217011],[3.26415,0.984638,0.0731245,-0.0473389],[0.766312,0.216227,0.140352,0.00205503],[0.173195,0.0401048,0.0507776,0.0220702],[0.0407843,0.0156698,0.00262891,0.00661601],[-0.00274789,0.00154393,0.00146344,0.000724446]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -54.02
S298 (cal/mol*K) = -36.17
G298 (kcal/mol) = -43.24

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(396); C2H4(72), C7H11(396); C5H7(210)+C2H4(72)(+M)=>C7H11(396)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.368e+00 -1.359e+00 -3.404e-01 -2.170e-02 / CHEB/ 3.264e+00 9.846e-01 7.312e-02 -4.734e-02 / CHEB/ 7.663e-01 2.162e-01 1.404e-01 2.055e-03 / CHEB/ 1.732e-01 4.010e-02 5.078e-02 2.207e-02 / CHEB/ 4.078e-02 1.567e-02 2.629e-03 6.616e-03 / CHEB/ -2.748e-03 1.544e-03 1.463e-03 7.244e-04 /

3170.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	+0.5	+1.9	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+0.0	+1.7	+2.6

H298 (kcal/mol) = -54.02
S298 (cal/mol*K) = -36.17
G298 (kcal/mol) = -43.24

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(397); C2H4(72), C7H11(397); C5H7(210)+C2H4(72)(+M)=>C7H11(397)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.368e+00 -1.359e+00 -3.404e-01 -2.170e-02 / CHEB/ 3.264e+00 9.846e-01 7.312e-02 -4.734e-02 / CHEB/ 7.663e-01 2.162e-01 1.404e-01 2.055e-03 / CHEB/ 1.732e-01 4.010e-02 5.078e-02 2.207e-02 / CHEB/ 4.078e-02 1.567e-02 2.629e-03 6.616e-03 / CHEB/ -2.748e-03 1.544e-03 1.463e-03 7.244e-04 /

3171.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+0.8	+2.1	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-2.7	+0.3	+1.9	+2.8

Chebyshev(coeffs=[[4.75679,-1.3697,-0.340523,-0.0213893],[3.11061,0.983701,0.0701269,-0.0468763],[0.739475,0.222515,0.139856,0.000795082],[0.171505,0.0426046,0.051872,0.021493],[0.0410621,0.0158262,0.00311206,0.00678771],[-0.00265874,0.00155069,0.00151609,0.000837186]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -54.02
S298 (cal/mol*K) = -36.17
G298 (kcal/mol) = -43.24

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(395); C2H4(72), C7H11(395); C5H7(210)+C2H4(72)(+M)=>C7H11(395)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.757e+00 -1.370e+00 -3.405e-01 -2.139e-02 / CHEB/ 3.111e+00 9.837e-01 7.013e-02 -4.688e-02 / CHEB/ 7.395e-01 2.225e-01 1.399e-01 7.951e-04 / CHEB/ 1.715e-01 4.260e-02 5.187e-02 2.149e-02 / CHEB/ 4.106e-02 1.583e-02 3.112e-03 6.788e-03 / CHEB/ -2.659e-03 1.551e-03 1.516e-03 8.372e-04 /

3172.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+0.4	+1.8	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-3.2	-0.1	+1.6	+2.5

Chebyshev(coeffs=[[4.27577,-1.36333,-0.340455,-0.0215686],[3.2557,0.98431,0.0718396,-0.0471419],[0.767756,0.218915,0.140153,0.00151392],[0.176255,0.0411439,0.0512509,0.0218296],[0.042134,0.0157264,0.00283071,0.00669302],[-0.00227712,0.00154729,0.00148288,0.000771983]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -51.82
S298 (cal/mol*K) = -36.59
G298 (kcal/mol) = -40.92

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(398); C2H4(72), C7H11(398); C5H7(210)+C2H4(72)(+M)=>C7H11(398)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.276e+00 -1.363e+00 -3.405e-01 -2.157e-02 / CHEB/ 3.256e+00 9.843e-01 7.184e-02 -4.714e-02 / CHEB/ 7.678e-01 2.189e-01 1.402e-01 1.514e-03 / CHEB/ 1.763e-01 4.114e-02 5.125e-02 2.183e-02 / CHEB/ 4.213e-02 1.573e-02 2.831e-03 6.693e-03 / CHEB/ -2.277e-03 1.547e-03 1.483e-03 7.720e-04 /

3173.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.9	+3.5	+3.8	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+2.4	+3.3	+3.7	+4.0

Chebyshev(coeffs=[[8.69763,-0.676815,-0.358926,-0.114272],[0.984916,0.481361,0.216097,0.0355826],[0.204239,0.0542727,0.0507641,0.0311966],[0.0541032,0.0292149,0.0173155,0.00881437],[0.0116151,0.0139647,0.00724616,0.00233496],[-0.00676057,0.00142834,0.00230716,0.00196303]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -77.89
S298 (cal/mol*K) = -42.19
G298 (kcal/mol) = -65.32

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(394); C2H4(72), C7H11(394); C5H7(210)+C2H4(72)(+M)=>C7H11(394)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.698e+00 -6.768e-01 -3.589e-01 -1.143e-01 / CHEB/ 9.849e-01 4.814e-01 2.161e-01 3.558e-02 / CHEB/ 2.042e-01 5.427e-02 5.076e-02 3.120e-02 / CHEB/ 5.410e-02 2.921e-02 1.732e-02 8.814e-03 / CHEB/ 1.162e-02 1.396e-02 7.246e-03 2.335e-03 / CHEB/ -6.761e-03 1.428e-03 2.307e-03 1.963e-03 /

3174.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.1	+1.6	+2.3	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+1.0	+2.1	+2.7

Chebyshev(coeffs=[[6.14163,-1.43934,-0.342549,-0.0192651],[1.93223,0.964593,0.0515827,-0.0438168],[0.470661,0.26026,0.134317,-0.00662075],[0.130901,0.0636374,0.0573582,0.0168112],[0.0369298,0.019547,0.00678047,0.0070291],[-0.00348463,0.00186909,0.00251011,0.0015161]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.86
S298 (cal/mol*K) = -42.32
G298 (kcal/mol) = -38.25

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(576); C2H4(72), C7H11(576); C5H7(210)+C2H4(72)(+M)=>C7H11(576)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.142e+00 -1.439e+00 -3.425e-01 -1.927e-02 / CHEB/ 1.932e+00 9.646e-01 5.158e-02 -4.382e-02 / CHEB/ 4.707e-01 2.603e-01 1.343e-01 -6.621e-03 / CHEB/ 1.309e-01 6.364e-02 5.736e-02 1.681e-02 / CHEB/ 3.693e-02 1.955e-02 6.780e-03 7.029e-03 / CHEB/ -3.485e-03 1.869e-03 2.510e-03 1.516e-03 /

3175.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.2	-3.4	+0.6	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-3.6	+0.5	+2.7

Chebyshev(coeffs=[[-6.06594,-0.629242,-0.300111,-0.0728142],[13.7248,0.505477,0.194728,0.00995088],[0.786312,0.0511907,0.0578229,0.0362622],[0.23126,0.0252174,0.0159311,0.0100234],[0.05312,0.0163184,0.00649478,0.000542516],[2.67841e-06,-0.00220944,0.000572795,0.00119265]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.53
S298 (cal/mol*K) = 3.26
G298 (kcal/mol) = 27.56

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(577); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C2H3(100)+C5H8(577)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.066e+00 -6.292e-01 -3.001e-01 -7.281e-02 / CHEB/ 1.372e+01 5.055e-01 1.947e-01 9.951e-03 / CHEB/ 7.863e-01 5.119e-02 5.782e-02 3.626e-02 / CHEB/ 2.313e-01 2.522e-02 1.593e-02 1.002e-02 / CHEB/ 5.312e-02 1.632e-02 6.495e-03 5.425e-04 / CHEB/ 2.678e-06 -2.209e-03 5.728e-04 1.193e-03 /

3176.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.6	+0.4	+0.9	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-1.8	-0.3	+0.6	+1.1

Chebyshev(coeffs=[[5.2298,-1.48319,-0.344881,-0.01778],[1.39894,0.941379,0.0398967,-0.0417172],[0.304397,0.279699,0.128781,-0.0107147],[0.0997523,0.080338,0.059048,0.0131732],[0.0349938,0.0251356,0.00911602,0.00628402],[-0.00261544,0.00306505,0.00368275,0.00165496]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -55.97
S298 (cal/mol*K) = -45.71
G298 (kcal/mol) = -42.35

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(578); C2H4(72), C7H11(578); C5H7(210)+C2H4(72)(+M)=>C7H11(578)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.230e+00 -1.483e+00 -3.449e-01 -1.778e-02 / CHEB/ 1.399e+00 9.414e-01 3.990e-02 -4.172e-02 / CHEB/ 3.044e-01 2.797e-01 1.288e-01 -1.071e-02 / CHEB/ 9.975e-02 8.034e-02 5.905e-02 1.317e-02 / CHEB/ 3.499e-02 2.514e-02 9.116e-03 6.284e-03 / CHEB/ -2.615e-03 3.065e-03 3.683e-03 1.655e-03 /

3177.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+3.8	+4.6	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+1.4	+3.2	+4.3	+5.0

Chebyshev(coeffs=[[8.44841,-1.38218,-0.440946,-0.102281],[1.79475,0.856709,0.167922,0.0497466],[0.532392,0.299369,0.110073,-0.0135141],[0.166983,0.0951109,0.0648924,0.00822624],[0.035415,0.00622074,0.0106241,0.0130122],[-0.00313949,-0.00611814,-0.00115927,0.00281795]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -39.83
S298 (cal/mol*K) = -20.98
G298 (kcal/mol) = -33.57

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(79); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(79)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.448e+00 -1.382e+00 -4.409e-01 -1.023e-01 / CHEB/ 1.795e+00 8.567e-01 1.679e-01 4.975e-02 / CHEB/ 5.324e-01 2.994e-01 1.101e-01 -1.351e-02 / CHEB/ 1.670e-01 9.511e-02 6.489e-02 8.226e-03 / CHEB/ 3.542e-02 6.221e-03 1.062e-02 1.301e-02 / CHEB/ -3.139e-03 -6.118e-03 -1.159e-03 2.818e-03 /

3178.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+4.9	+5.5	+5.8
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+4.3	+5.2	+5.8

Chebyshev(coeffs=[[9.78477,-1.47855,-0.343809,-0.0178397],[1.46123,0.947133,0.0419488,-0.0416702],[0.338393,0.280655,0.130043,-0.0102792],[0.11483,0.0791061,0.0594086,0.0136762],[0.0407158,0.0237842,0.00900991,0.00659908],[-0.000522641,0.00218605,0.00346196,0.00179742]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.17
S298 (cal/mol*K) = -12.00
G298 (kcal/mol) = -45.59

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(94); C2H4(72), CH3(425); C5H7(210)+C2H4(72)(+M)=>C6H8(94)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.785e+00 -1.479e+00 -3.438e-01 -1.784e-02 / CHEB/ 1.461e+00 9.471e-01 4.195e-02 -4.167e-02 / CHEB/ 3.384e-01 2.807e-01 1.300e-01 -1.028e-02 / CHEB/ 1.148e-01 7.911e-02 5.941e-02 1.368e-02 / CHEB/ 4.072e-02 2.378e-02 9.010e-03 6.599e-03 / CHEB/ -5.226e-04 2.186e-03 3.462e-03 1.797e-03 /

3179.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.0	+5.1	+5.2	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+4.1	+4.5	+4.9	+5.1

Chebyshev(coeffs=[[10.4473,-1.17652,-0.567899,-0.148045],[0.386204,0.5955,0.264288,0.0481253],[0.169374,0.27952,0.132163,0.0329014],[0.095462,0.161259,0.0729378,0.0147788],[-0.00328745,0.00762836,0.00967996,0.00761304],[-0.0286574,-0.0364912,-0.0137205,0.000560105]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.17
S298 (cal/mol*K) = -39.53
G298 (kcal/mol) = -56.39

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(500); C2H4(72), C7H11(500); C5H7(210)+C2H4(72)(+M)=>C7H11(500)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.045e+01 -1.177e+00 -5.679e-01 -1.480e-01 / CHEB/ 3.862e-01 5.955e-01 2.643e-01 4.813e-02 / CHEB/ 1.694e-01 2.795e-01 1.322e-01 3.290e-02 / CHEB/ 9.546e-02 1.613e-01 7.294e-02 1.478e-02 / CHEB/ -3.287e-03 7.628e-03 9.680e-03 7.613e-03 / CHEB/ -2.866e-02 -3.649e-02 -1.372e-02 5.601e-04 /

3180.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.6	-7.1	-2.5	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-19.8	-7.2	-2.6	-0.1

Chebyshev(coeffs=[[-12.3444,-0.415447,-0.231291,-0.0818489],[17.55,0.313438,0.154533,0.0363325],[0.512357,0.0338453,0.0331175,0.0239548],[0.175546,0.0287058,0.0166013,0.00703046],[0.0412668,0.01534,0.00808903,0.00234045],[-0.00256524,-0.00245721,-0.000246,0.000921243]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.24
S298 (cal/mol*K) = -0.30
G298 (kcal/mol) = 43.33

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H5(99); C2H4(72), C3H6(579); C5H7(210)+C2H4(72)(+M)=>C4H5(99)+C3H6(579)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.234e+01 -4.154e-01 -2.313e-01 -8.185e-02 / CHEB/ 1.755e+01 3.134e-01 1.545e-01 3.633e-02 / CHEB/ 5.124e-01 3.385e-02 3.312e-02 2.395e-02 / CHEB/ 1.755e-01 2.871e-02 1.660e-02 7.030e-03 / CHEB/ 4.127e-02 1.534e-02 8.089e-03 2.340e-03 / CHEB/ -2.565e-03 -2.457e-03 -2.460e-04 9.212e-04 /

3181.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+2.1	+3.2	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+1.9	+3.6	+4.2

Chebyshev(coeffs=[[3.73008,-0.660392,-0.527112,0.000768074],[5.52028,1.63573,0.0194521,-0.0938944],[0.125728,0.421488,0.126284,-0.0316085],[-0.0728102,0.136003,0.0767127,0.00639471],[-0.05237,0.0259583,0.0330369,0.013497],[-0.0654311,-0.0147519,0.0118234,0.00870973]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.27
S298 (cal/mol*K) = -9.01
G298 (kcal/mol) = -6.58

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(447); H(25), C7H11(447); C7H10(65)+H(25)(+M)=>C7H11(447)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.730e+00 -6.604e-01 -5.271e-01 7.681e-04 / CHEB/ 5.520e+00 1.636e+00 1.945e-02 -9.389e-02 / CHEB/ 1.257e-01 4.215e-01 1.263e-01 -3.161e-02 / CHEB/ -7.281e-02 1.360e-01 7.671e-02 6.395e-03 / CHEB/ -5.237e-02 2.596e-02 3.304e-02 1.350e-02 / CHEB/ -6.543e-02 -1.475e-02 1.182e-02 8.710e-03 /

3182.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+3.5	+5.9	+6.9
log₁₀(k(10 bar)/[mole,m,s])	-5.1	+2.7	+5.6	+6.8

Chebyshev(coeffs=[[2.59112,-1.70804,-0.587031,-0.0598966],[9.77371,1.06967,0.214113,-0.0515785],[0.516487,0.263155,0.134896,0.00673595],[0.013469,0.126248,0.0624293,0.0161858],[-0.0787857,0.0291768,0.0232374,0.0123694],[-0.0690383,-0.0171797,0.00342106,0.00759576]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.07
S298 (cal/mol*K) = 32.97
G298 (kcal/mol) = 10.25

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C5H8(448); H(25), C2H3(100); C7H10(65)+H(25)(+M)=>C2H3(100)+C5H8(448)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.591e+00 -1.708e+00 -5.870e-01 -5.990e-02 / CHEB/ 9.774e+00 1.070e+00 2.141e-01 -5.158e-02 / CHEB/ 5.165e-01 2.632e-01 1.349e-01 6.736e-03 / CHEB/ 1.347e-02 1.262e-01 6.243e-02 1.619e-02 / CHEB/ -7.879e-02 2.918e-02 2.324e-02 1.237e-02 / CHEB/ -6.904e-02 -1.718e-02 3.421e-03 7.596e-03 /

3183.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.6	-5.2	+0.5	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-24.0	-5.4	+0.4	+2.9

Chebyshev(coeffs=[[-16.5728,-0.44081,-0.265883,-0.112282],[26.0399,0.159072,0.0947699,0.0386981],[-0.235713,0.141261,0.0793611,0.0280211],[-0.139805,0.0907394,0.0509898,0.0180648],[-0.0953937,0.00687762,0.00727173,0.00593764],[-0.0592355,-0.0194503,-0.00855561,-0.000680083]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 84.97
S298 (cal/mol*K) = 44.56
G298 (kcal/mol) = 71.69

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C5H8(449); H(25), C2H3(100); C7H10(65)+H(25)(+M)=>C2H3(100)+C5H8(449)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.657e+01 -4.408e-01 -2.659e-01 -1.123e-01 / CHEB/ 2.604e+01 1.591e-01 9.477e-02 3.870e-02 / CHEB/ -2.357e-01 1.413e-01 7.936e-02 2.802e-02 / CHEB/ -1.398e-01 9.074e-02 5.099e-02 1.806e-02 / CHEB/ -9.539e-02 6.878e-03 7.272e-03 5.938e-03 / CHEB/ -5.924e-02 -1.945e-02 -8.556e-03 -6.801e-04 /

3184.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.0	-10.4	-4.0	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-31.3	-10.6	-4.1	-1.0

Chebyshev(coeffs=[[-23.6443,-0.357939,-0.220874,-0.097936],[28.9841,0.124892,0.0767166,0.0335472],[-0.130175,0.12061,0.0696691,0.0264321],[-0.113096,0.0759662,0.0441563,0.0170531],[-0.0849079,0.00369932,0.00484013,0.00451135],[-0.0533277,-0.0170962,-0.0081237,-0.00135652]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 93.64
S298 (cal/mol*K) = 30.69
G298 (kcal/mol) = 84.50

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(109); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(109)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.364e+01 -3.579e-01 -2.209e-01 -9.794e-02 / CHEB/ 2.898e+01 1.249e-01 7.672e-02 3.355e-02 / CHEB/ -1.302e-01 1.206e-01 6.967e-02 2.643e-02 / CHEB/ -1.131e-01 7.597e-02 4.416e-02 1.705e-02 / CHEB/ -8.491e-02 3.699e-03 4.840e-03 4.511e-03 / CHEB/ -5.333e-02 -1.710e-02 -8.124e-03 -1.357e-03 /

3185.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	+2.0	+4.1	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-5.8	+1.2	+3.7	+4.8

Chebyshev(coeffs=[[2.01733,-1.96913,-0.570749,-0.03849],[8.33063,1.3082,0.168162,-0.071345],[0.542888,0.263694,0.14306,-0.00227011],[0.0125702,0.114178,0.0651484,0.017761],[-0.0785924,0.0293695,0.0236143,0.0133766],[-0.0708799,-0.0147647,0.005051,0.00736688]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.56
S298 (cal/mol*K) = -7.74
G298 (kcal/mol) = -10.25

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(294); H(25), C7H11(294); C7H10(65)+H(25)(+M)=>C7H11(294)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.017e+00 -1.969e+00 -5.707e-01 -3.849e-02 / CHEB/ 8.331e+00 1.308e+00 1.682e-01 -7.135e-02 / CHEB/ 5.429e-01 2.637e-01 1.431e-01 -2.270e-03 / CHEB/ 1.257e-02 1.142e-01 6.515e-02 1.776e-02 / CHEB/ -7.859e-02 2.937e-02 2.361e-02 1.338e-02 / CHEB/ -7.088e-02 -1.476e-02 5.051e-03 7.367e-03 /

3186.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.5	+4.7	+5.5	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+4.3	+5.8	+6.1

Chebyshev(coeffs=[[6.17389,-1.24792,-0.76016,-0.0383929],[5.22263,1.96226,0.122992,-0.0994157],[0.092828,0.464341,0.153861,-0.0149424],[-0.184068,0.204167,0.0958197,0.00682431],[-0.160118,0.0532528,0.0435608,0.0140848],[-0.0844337,-0.0256352,0.00981029,0.0097834]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.70
S298 (cal/mol*K) = -1.03
G298 (kcal/mol) = -14.39

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(412); H(25), C7H11(412); C7H10(65)+H(25)(+M)=>C7H11(412)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.174e+00 -1.248e+00 -7.602e-01 -3.839e-02 / CHEB/ 5.223e+00 1.962e+00 1.230e-01 -9.942e-02 / CHEB/ 9.283e-02 4.643e-01 1.539e-01 -1.494e-02 / CHEB/ -1.841e-01 2.042e-01 9.582e-02 6.824e-03 / CHEB/ -1.601e-01 5.325e-02 4.356e-02 1.408e-02 / CHEB/ -8.443e-02 -2.564e-02 9.810e-03 9.783e-03 /

3187.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.7	-6.0	-0.4	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-24.1	-6.2	-0.5	+2.2

Chebyshev(coeffs=[[-16.5482,-0.484288,-0.285364,-0.114413],[24.9367,0.180086,0.103228,0.0384154],[-0.021053,0.152934,0.0837255,0.0274811],[-0.0787136,0.0950969,0.0520854,0.0172589],[-0.0780088,0.00694309,0.00794335,0.00671452],[-0.0545834,-0.0199881,-0.00805313,0.000204727]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.78
S298 (cal/mol*K) = 34.22
G298 (kcal/mol) = 60.58

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C4H6(450); H(25), C3H5(98); C7H10(65)+H(25)(+M)=>C3H5(98)+C4H6(450)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.655e+01 -4.843e-01 -2.854e-01 -1.144e-01 / CHEB/ 2.494e+01 1.801e-01 1.032e-01 3.842e-02 / CHEB/ -2.105e-02 1.529e-01 8.373e-02 2.748e-02 / CHEB/ -7.871e-02 9.510e-02 5.209e-02 1.726e-02 / CHEB/ -7.801e-02 6.943e-03 7.943e-03 6.715e-03 / CHEB/ -5.458e-02 -1.999e-02 -8.053e-03 2.047e-04 /

3188.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.4	-12.8	-5.9	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-34.6	-13.0	-6.0	-2.7

Chebyshev(coeffs=[[-26.8425,-0.322421,-0.201314,-0.0914696],[30.3676,0.118865,0.0739483,0.0332422],[-0.0479935,0.110515,0.0650542,0.0258621],[-0.0958749,0.0681235,0.0404196,0.0163997],[-0.0795127,0.00135513,0.00315914,0.00357965],[-0.0504728,-0.0166276,-0.00834956,-0.0019086]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.49
S298 (cal/mol*K) = 22.60
G298 (kcal/mol) = 90.76

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(451); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(451)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.684e+01 -3.224e-01 -2.013e-01 -9.147e-02 / CHEB/ 3.037e+01 1.189e-01 7.395e-02 3.324e-02 / CHEB/ -4.799e-02 1.105e-01 6.505e-02 2.586e-02 / CHEB/ -9.587e-02 6.812e-02 4.042e-02 1.640e-02 / CHEB/ -7.951e-02 1.355e-03 3.159e-03 3.580e-03 / CHEB/ -5.047e-02 -1.663e-02 -8.350e-03 -1.909e-03 /

3209.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.1	+4.9	+5.2	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+3.2	+4.4	+4.9	+5.2

Chebyshev(coeffs=[[9.81681,-1.27228,-0.373549,-0.0256665],[1.20135,0.835371,0.111378,-0.0415455],[0.113701,0.173345,0.102061,0.00175808],[0.0162183,0.087464,0.0514855,0.0160909],[0.00270052,0.0489986,0.0187187,0.00576979],[-0.0162636,0.00597091,0.00600686,0.00168024]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -45.19
S298 (cal/mol*K) = -31.12
G298 (kcal/mol) = -35.92

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(657); H(25), C7H11(657); C7H10(18)+H(25)(+M)=>C7H11(657)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.817e+00 -1.272e+00 -3.735e-01 -2.567e-02 / CHEB/ 1.201e+00 8.354e-01 1.114e-01 -4.155e-02 / CHEB/ 1.137e-01 1.733e-01 1.021e-01 1.758e-03 / CHEB/ 1.622e-02 8.746e-02 5.149e-02 1.609e-02 / CHEB/ 2.701e-03 4.900e-02 1.872e-02 5.770e-03 / CHEB/ -1.626e-02 5.971e-03 6.007e-03 1.680e-03 /

3210.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+5.2	+5.9	+6.3
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+4.8	+5.7	+6.3

Chebyshev(coeffs=[[9.73763,-1.12015,-0.348916,-0.0400638],[1.99137,0.753231,0.118138,-0.0216966],[0.435796,0.183491,0.103521,-0.000222605],[0.0878242,0.066953,0.0496752,0.0196031],[0.01085,0.0296784,0.0131945,0.00836767],[-0.0119245,0.00237932,0.00344764,0.00120197]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.51
S298 (cal/mol*K) = -5.62
G298 (kcal/mol) = -34.84

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(658); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(658)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.738e+00 -1.120e+00 -3.489e-01 -4.006e-02 / CHEB/ 1.991e+00 7.532e-01 1.181e-01 -2.170e-02 / CHEB/ 4.358e-01 1.835e-01 1.035e-01 -2.226e-04 / CHEB/ 8.782e-02 6.695e-02 4.968e-02 1.960e-02 / CHEB/ 1.085e-02 2.968e-02 1.319e-02 8.368e-03 / CHEB/ -1.192e-02 2.379e-03 3.448e-03 1.202e-03 /

3211.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+5.7	+6.4	+6.8
log₁₀(k(10 bar)/[mole,m,s])	+3.0	+5.2	+6.2	+6.8

Chebyshev(coeffs=[[9.99354,-1.19201,-0.359565,-0.0276581],[2.25129,0.864112,0.131805,-0.0409713],[0.430596,0.141119,0.103035,0.0081889],[0.0807387,0.0616382,0.0449375,0.0195328],[0.0100952,0.0388495,0.0148115,0.00623024],[-0.0142557,0.00366327,0.00467895,0.00165167]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.31
S298 (cal/mol*K) = 7.85
G298 (kcal/mol) = -33.65

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H7(571); H(25), C#CC(659); C7H10(18)+H(25)(+M)=>C4H7(571)+C#CC(659)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.994e+00 -1.192e+00 -3.596e-01 -2.766e-02 / CHEB/ 2.251e+00 8.641e-01 1.318e-01 -4.097e-02 / CHEB/ 4.306e-01 1.411e-01 1.030e-01 8.189e-03 / CHEB/ 8.074e-02 6.164e-02 4.494e-02 1.953e-02 / CHEB/ 1.010e-02 3.885e-02 1.481e-02 6.230e-03 / CHEB/ -1.426e-02 3.663e-03 4.679e-03 1.652e-03 /

3212.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.1	+2.8	+4.1	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+2.5	+3.9	+4.7

Chebyshev(coeffs=[[6.28237,-1.03783,-0.340819,-0.0327849],[3.7198,0.829802,0.159001,-0.0379287],[0.597912,0.0765787,0.0927954,0.0198445],[0.065559,0.0394894,0.0314222,0.0204129],[-0.000497769,0.0341989,0.0116966,0.00440623],[-0.0166876,0.0031869,0.0045364,0.00149396]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.55
S298 (cal/mol*K) = 7.55
G298 (kcal/mol) = -6.80

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(660); H(25), CH3(425); C7H10(18)+H(25)(+M)=>CH3(425)+C6H8(660)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.282e+00 -1.038e+00 -3.408e-01 -3.278e-02 / CHEB/ 3.720e+00 8.298e-01 1.590e-01 -3.793e-02 / CHEB/ 5.979e-01 7.658e-02 9.280e-02 1.984e-02 / CHEB/ 6.556e-02 3.949e-02 3.142e-02 2.041e-02 / CHEB/ -4.978e-04 3.420e-02 1.170e-02 4.406e-03 / CHEB/ -1.669e-02 3.187e-03 4.536e-03 1.494e-03 /

3213.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-1.8	+0.9	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-2.0	+0.8	+2.2

Chebyshev(coeffs=[[-2.47409,-0.546733,-0.263668,-0.0639189],[10.2215,0.434359,0.173334,0.011802],[0.378415,0.0299926,0.0376645,0.0248686],[0.0817189,0.0304414,0.0176492,0.00896399],[0.00355262,0.0262927,0.0134734,0.0039308],[-0.0144763,0.00102057,0.00278975,0.00250685]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.22
S298 (cal/mol*K) = 13.21
G298 (kcal/mol) = 24.29

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H6(661); H(25), C2H5(421); C7H10(18)+H(25)(+M)=>C2H5(421)+C5H6(661)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.474e+00 -5.467e-01 -2.637e-01 -6.392e-02 / CHEB/ 1.022e+01 4.344e-01 1.733e-01 1.180e-02 / CHEB/ 3.784e-01 2.999e-02 3.766e-02 2.487e-02 / CHEB/ 8.172e-02 3.044e-02 1.765e-02 8.964e-03 / CHEB/ 3.553e-03 2.629e-02 1.347e-02 3.931e-03 / CHEB/ -1.448e-02 1.021e-03 2.790e-03 2.507e-03 /

3214.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.1	-5.7	-2.2	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-15.3	-5.8	-2.2	-0.3

Chebyshev(coeffs=[[-8.1155,-0.453646,-0.237482,-0.0716194],[13.1155,0.351993,0.160645,0.027296],[0.502325,0.0267285,0.0292046,0.0207682],[0.140698,0.0320145,0.0179841,0.00752255],[0.0283614,0.0232195,0.0127832,0.00433408],[-0.00499839,-0.000696034,0.00145539,0.00205284]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.90
S298 (cal/mol*K) = -0.43
G298 (kcal/mol) = 37.03

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(662); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(662)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.115e+00 -4.536e-01 -2.375e-01 -7.162e-02 / CHEB/ 1.312e+01 3.520e-01 1.606e-01 2.730e-02 / CHEB/ 5.023e-01 2.673e-02 2.920e-02 2.077e-02 / CHEB/ 1.407e-01 3.201e-02 1.798e-02 7.523e-03 / CHEB/ 2.836e-02 2.322e-02 1.278e-02 4.334e-03 / CHEB/ -4.998e-03 -6.960e-04 1.455e-03 2.053e-03 /

3215.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.3	-3.7	+0.1	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-14.5	-3.8	+0.0	+2.0

Chebyshev(coeffs=[[-7.36212,-0.332583,-0.187308,-0.0675383],[14.9615,0.249228,0.126977,0.0330968],[0.277439,0.0164798,0.0175944,0.0136897],[0.083484,0.0284915,0.0160464,0.00611255],[0.0110406,0.0211809,0.0126177,0.00514089],[-0.0101445,0.000318892,0.00159105,0.0019105]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 45.05
S298 (cal/mol*K) = 15.58
G298 (kcal/mol) = 40.41

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H7(571); H(25), C3H4(663); C7H10(18)+H(25)(+M)=>C4H7(571)+C3H4(663)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.362e+00 -3.326e-01 -1.873e-01 -6.754e-02 / CHEB/ 1.496e+01 2.492e-01 1.270e-01 3.310e-02 / CHEB/ 2.774e-01 1.648e-02 1.759e-02 1.369e-02 / CHEB/ 8.348e-02 2.849e-02 1.605e-02 6.113e-03 / CHEB/ 1.104e-02 2.118e-02 1.262e-02 5.141e-03 / CHEB/ -1.014e-02 3.189e-04 1.591e-03 1.911e-03 /

3216.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-3.2	-0.1	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-3.4	-0.2	+1.6

Chebyshev(coeffs=[[-4.28123,-0.559596,-0.267286,-0.0631738],[11.0473,0.445491,0.174996,0.0101201],[0.618649,0.0308766,0.03903,0.0253301],[0.150037,0.0304695,0.0177622,0.00923063],[0.0258131,0.0265269,0.0134623,0.00386124],[-0.00666862,0.00108131,0.00285976,0.00250884]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.70
S298 (cal/mol*K) = -1.53
G298 (kcal/mol) = 28.16

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(664); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(664)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.281e+00 -5.596e-01 -2.673e-01 -6.317e-02 / CHEB/ 1.105e+01 4.455e-01 1.750e-01 1.012e-02 / CHEB/ 6.186e-01 3.088e-02 3.903e-02 2.533e-02 / CHEB/ 1.500e-01 3.047e-02 1.776e-02 9.231e-03 / CHEB/ 2.581e-02 2.653e-02 1.346e-02 3.861e-03 / CHEB/ -6.669e-03 1.081e-03 2.860e-03 2.509e-03 /

3217.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-1.4	+1.1	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-8.1	-1.6	+1.0	+2.4

Chebyshev(coeffs=[[-0.87738,-0.673967,-0.292373,-0.0570636],[8.45357,0.526933,0.173546,-0.00282381],[0.655324,0.0579009,0.0592652,0.0254497],[0.12613,0.0303945,0.0204777,0.0137725],[0.0125519,0.0249292,0.0113171,0.00331914],[-0.010594,0.0015899,0.00324987,0.00199444]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.88
S298 (cal/mol*K) = 3.74
G298 (kcal/mol) = 17.77

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(665); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(665)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.774e-01 -6.740e-01 -2.924e-01 -5.706e-02 / CHEB/ 8.454e+00 5.269e-01 1.735e-01 -2.824e-03 / CHEB/ 6.553e-01 5.790e-02 5.927e-02 2.545e-02 / CHEB/ 1.261e-01 3.039e-02 2.048e-02 1.377e-02 / CHEB/ 1.255e-02 2.493e-02 1.132e-02 3.319e-03 / CHEB/ -1.059e-02 1.590e-03 3.250e-03 1.994e-03 /

3218.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+3.9	+4.3	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+1.9	+3.4	+4.1	+4.5

Chebyshev(coeffs=[[8.6654,-1.24798,-0.369173,-0.0262618],[1.50711,0.846588,0.117883,-0.0414557],[0.21404,0.164585,0.102844,0.00365375],[0.0442073,0.0792213,0.0497819,0.0172823],[0.011283,0.0454775,0.0175568,0.00605399],[-0.0142261,0.00506466,0.00555294,0.00173136]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -84.55
S298 (cal/mol*K) = -41.81
G298 (kcal/mol) = -72.09

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(666); H(25), C7H11(666); C7H10(18)+H(25)(+M)=>C7H11(666)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.665e+00 -1.248e+00 -3.692e-01 -2.626e-02 / CHEB/ 1.507e+00 8.466e-01 1.179e-01 -4.146e-02 / CHEB/ 2.140e-01 1.646e-01 1.028e-01 3.654e-03 / CHEB/ 4.421e-02 7.922e-02 4.978e-02 1.728e-02 / CHEB/ 1.128e-02 4.548e-02 1.756e-02 6.054e-03 / CHEB/ -1.423e-02 5.065e-03 5.553e-03 1.731e-03 /

3219.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-4.5	-1.3	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-4.6	-1.3	+0.4

Chebyshev(coeffs=[[-6.48982,-0.458074,-0.237538,-0.0697792],[12.3691,0.355539,0.159482,0.0245974],[0.386476,0.0264856,0.029714,0.0212131],[0.102031,0.031664,0.0178171,0.0075813],[0.0146512,0.0239873,0.0131365,0.00439974],[-0.00975897,-0.000272413,0.00173776,0.00216945]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.20
S298 (cal/mol*K) = 5.74
G298 (kcal/mol) = 33.49

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(667); H(25), CH2(137); C7H10(18)+H(25)(+M)=>CH2(137)+C6H9(667)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.490e+00 -4.581e-01 -2.375e-01 -6.978e-02 / CHEB/ 1.237e+01 3.555e-01 1.595e-01 2.460e-02 / CHEB/ 3.865e-01 2.649e-02 2.971e-02 2.121e-02 / CHEB/ 1.020e-01 3.166e-02 1.782e-02 7.581e-03 / CHEB/ 1.465e-02 2.399e-02 1.314e-02 4.400e-03 / CHEB/ -9.759e-03 -2.724e-04 1.738e-03 2.169e-03 /

3220.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.0	-7.0	-2.4	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-20.1	-7.1	-2.5	-0.1

Chebyshev(coeffs=[[-12.8204,-0.236485,-0.142448,-0.0599627],[18.3122,0.166855,0.0942691,0.0336854],[0.307933,0.0120149,0.0108179,0.00787166],[0.100263,0.0257193,0.0149857,0.00590153],[0.0195345,0.0176441,0.0111667,0.00519172],[-0.00563664,0.000308709,0.00110607,0.0013446]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.19
S298 (cal/mol*K) = 8.11
G298 (kcal/mol) = 44.78

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(668); H(25), CH3(425); C7H10(18)+H(25)(+M)=>C6H8(668)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.282e+01 -2.365e-01 -1.424e-01 -5.996e-02 / CHEB/ 1.831e+01 1.669e-01 9.427e-02 3.369e-02 / CHEB/ 3.079e-01 1.201e-02 1.082e-02 7.872e-03 / CHEB/ 1.003e-01 2.572e-02 1.499e-02 5.902e-03 / CHEB/ 1.953e-02 1.764e-02 1.117e-02 5.192e-03 / CHEB/ -5.637e-03 3.087e-04 1.106e-03 1.345e-03 /

3221.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+2.1	+3.4	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+1.6	+3.1	+4.1

Chebyshev(coeffs=[[6.08409,-1.49087,-0.407298,-0.0528091],[3.03951,1.09764,0.136427,-0.0150582],[0.720244,0.204145,0.123333,-0.00589518],[0.180293,0.0489292,0.0549016,0.0204593],[0.0465051,0.0231993,0.00925173,0.0100757],[-0.00333738,0.00241412,0.00240866,0.00172773]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.06
S298 (cal/mol*K) = -19.16
G298 (kcal/mol) = -21.35

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(590); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(590)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.084e+00 -1.491e+00 -4.073e-01 -5.281e-02 / CHEB/ 3.040e+00 1.098e+00 1.364e-01 -1.506e-02 / CHEB/ 7.202e-01 2.041e-01 1.233e-01 -5.895e-03 / CHEB/ 1.803e-01 4.893e-02 5.490e-02 2.046e-02 / CHEB/ 4.651e-02 2.320e-02 9.252e-03 1.008e-02 / CHEB/ -3.337e-03 2.414e-03 2.409e-03 1.728e-03 /

3222.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+0.5	+1.7	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-2.9	-0.1	+1.5	+2.4

Chebyshev(coeffs=[[4.43383,-1.48896,-0.408764,-0.0529213],[3.02402,1.08981,0.134862,-0.0159297],[0.674201,0.199482,0.122239,-0.00587814],[0.163851,0.0497174,0.0542914,0.0202712],[0.0475266,0.0249843,0.00942905,0.00971457],[-0.00327055,0.0034874,0.00283662,0.00161816]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -57.13
S298 (cal/mol*K) = -37.39
G298 (kcal/mol) = -45.99

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(591); C2H4(72), C7H11(591); C5H7(210)+C2H4(72)(+M)=>C7H11(591)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.434e+00 -1.489e+00 -4.088e-01 -5.292e-02 / CHEB/ 3.024e+00 1.090e+00 1.349e-01 -1.593e-02 / CHEB/ 6.742e-01 1.995e-01 1.222e-01 -5.878e-03 / CHEB/ 1.639e-01 4.972e-02 5.429e-02 2.027e-02 / CHEB/ 4.753e-02 2.498e-02 9.429e-03 9.715e-03 / CHEB/ -3.271e-03 3.487e-03 2.837e-03 1.618e-03 /

3223.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+0.9	+2.1	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-2.5	+0.4	+1.8	+2.7

Chebyshev(coeffs=[[4.89173,-1.50077,-0.409868,-0.0529117],[2.92814,1.0877,0.132268,-0.0154217],[0.662003,0.205085,0.121648,-0.00688246],[0.148345,0.0528838,0.055204,0.0195891],[0.0280805,0.0260603,0.0100958,0.00976644],[-0.00896857,0.00378153,0.00304631,0.00173236]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -57.13
S298 (cal/mol*K) = -37.39
G298 (kcal/mol) = -45.99

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(592); C2H4(72), C7H11(592); C5H7(210)+C2H4(72)(+M)=>C7H11(592)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.892e+00 -1.501e+00 -4.099e-01 -5.291e-02 / CHEB/ 2.928e+00 1.088e+00 1.323e-01 -1.542e-02 / CHEB/ 6.620e-01 2.051e-01 1.216e-01 -6.882e-03 / CHEB/ 1.483e-01 5.288e-02 5.520e-02 1.959e-02 / CHEB/ 2.808e-02 2.606e-02 1.010e-02 9.766e-03 / CHEB/ -8.969e-03 3.782e-03 3.046e-03 1.732e-03 /

3224.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+3.4	+4.0	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+2.8	+3.6	+4.2

Chebyshev(coeffs=[[8.21455,-1.60667,-0.41944,-0.0523779],[1.4891,1.05522,0.110302,-0.0103644],[0.293405,0.257794,0.114464,-0.0146826],[0.103604,0.0873224,0.0613006,0.0127256],[0.0409527,0.0351691,0.0157969,0.00940261],[-0.00193402,0.0049365,0.00530721,0.0026701]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -77.93
S298 (cal/mol*K) = -39.57
G298 (kcal/mol) = -66.14

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(405); C2H4(72), C7H11(405); C5H7(210)+C2H4(72)(+M)=>C7H11(405)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.215e+00 -1.607e+00 -4.194e-01 -5.238e-02 / CHEB/ 1.489e+00 1.055e+00 1.103e-01 -1.036e-02 / CHEB/ 2.934e-01 2.578e-01 1.145e-01 -1.468e-02 / CHEB/ 1.036e-01 8.732e-02 6.130e-02 1.273e-02 / CHEB/ 4.095e-02 3.517e-02 1.580e-02 9.403e-03 / CHEB/ -1.934e-03 4.936e-03 5.307e-03 2.670e-03 /

3225.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	-0.4	+2.1	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-0.8	+2.0	+3.6

Chebyshev(coeffs=[[0.826453,-1.13708,-0.392637,-0.0552247],[7.44346,0.935013,0.201899,-0.0248173],[1.01602,0.0911659,0.107276,0.0258712],[0.220961,0.0238176,0.0286557,0.0227188],[0.0459889,0.0211251,0.00435784,0.00341459],[-0.00430032,0.000772352,0.0024268,0.000615278]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.13
S298 (cal/mol*K) = -4.02
G298 (kcal/mol) = 11.32

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(593); C2H4(72), CH3(425); C5H7(210)+C2H4(72)(+M)=>C6H8(593)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.265e-01 -1.137e+00 -3.926e-01 -5.522e-02 / CHEB/ 7.443e+00 9.350e-01 2.019e-01 -2.482e-02 / CHEB/ 1.016e+00 9.117e-02 1.073e-01 2.587e-02 / CHEB/ 2.210e-01 2.382e-02 2.866e-02 2.272e-02 / CHEB/ 4.599e-02 2.113e-02 4.358e-03 3.415e-03 / CHEB/ -4.300e-03 7.724e-04 2.427e-03 6.153e-04 /

3226.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-3.9	-1.2	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-4.2	-1.3	+0.3

Chebyshev(coeffs=[[-3.6034,-1.00517,-0.388573,-0.0632367],[8.86748,0.801973,0.213874,-0.0176335],[0.814687,0.0850012,0.0919615,0.0311365],[0.198567,0.0295725,0.0257277,0.0188765],[0.0367867,0.0225722,0.00689109,0.00258144],[-0.00790543,0.00116045,0.00285516,0.00118715]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.87
S298 (cal/mol*K) = -14.02
G298 (kcal/mol) = 23.04

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(594); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(594)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.603e+00 -1.005e+00 -3.886e-01 -6.324e-02 / CHEB/ 8.867e+00 8.020e-01 2.139e-01 -1.763e-02 / CHEB/ 8.147e-01 8.500e-02 9.196e-02 3.114e-02 / CHEB/ 1.986e-01 2.957e-02 2.573e-02 1.888e-02 / CHEB/ 3.679e-02 2.257e-02 6.891e-03 2.581e-03 / CHEB/ -7.905e-03 1.160e-03 2.855e-03 1.187e-03 /

3227.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-4.3	-1.7	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-4.7	-1.8	-0.2

Chebyshev(coeffs=[[-3.64001,-1.059,-0.390784,-0.0593308],[8.29355,0.85893,0.210515,-0.0215186],[0.913741,0.0863459,0.0983138,0.0296692],[0.2101,0.0266457,0.0264696,0.0204539],[0.0399703,0.0219152,0.00575169,0.00280071],[-0.00647014,0.000961856,0.00269092,0.000939563]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.18
S298 (cal/mol*K) = -18.46
G298 (kcal/mol) = 20.68

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(595); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(595)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.640e+00 -1.059e+00 -3.908e-01 -5.933e-02 / CHEB/ 8.294e+00 8.589e-01 2.105e-01 -2.152e-02 / CHEB/ 9.137e-01 8.635e-02 9.831e-02 2.967e-02 / CHEB/ 2.101e-01 2.665e-02 2.647e-02 2.045e-02 / CHEB/ 3.997e-02 2.192e-02 5.752e-03 2.801e-03 / CHEB/ -6.470e-03 9.619e-04 2.691e-03 9.396e-04 /

3228.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+1.0	+1.7	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+0.4	+1.5	+2.1

Chebyshev(coeffs=[[5.61053,-1.44265,-0.438307,-0.0915487],[1.82427,0.909498,0.152039,0.0370688],[0.478388,0.285633,0.109699,-0.0189871],[0.123015,0.0817279,0.0622627,0.01037],[0.0218219,0.0142828,0.0118941,0.0134338],[-0.00661836,0.0024208,0.00226493,0.0026415]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -53.80
S298 (cal/mol*K) = -43.16
G298 (kcal/mol) = -40.94

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(596); C2H4(72), C7H11(596); C5H7(210)+C2H4(72)(+M)=>C7H11(596)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.611e+00 -1.443e+00 -4.383e-01 -9.155e-02 / CHEB/ 1.824e+00 9.095e-01 1.520e-01 3.707e-02 / CHEB/ 4.784e-01 2.856e-01 1.097e-01 -1.899e-02 / CHEB/ 1.230e-01 8.173e-02 6.226e-02 1.037e-02 / CHEB/ 2.182e-02 1.428e-02 1.189e-02 1.343e-02 / CHEB/ -6.618e-03 2.421e-03 2.265e-03 2.642e-03 /

3229.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-3.2	+0.5	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-3.4	+0.4	+2.5

Chebyshev(coeffs=[[-5.3411,-0.721964,-0.339114,-0.0821693],[12.8202,0.578925,0.219108,0.013946],[0.764989,0.0509106,0.0589253,0.0338027],[0.219441,0.0289888,0.0190321,0.0123042],[0.0460223,0.0200513,0.00849155,0.00169614],[-0.00547434,-0.000835745,0.0015356,0.00149452]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.42
S298 (cal/mol*K) = 2.04
G298 (kcal/mol) = 24.81

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H6(598); C2H4(72), C3H5(597); C5H7(210)+C2H4(72)(+M)=>C3H5(597)+C4H6(598)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.341e+00 -7.220e-01 -3.391e-01 -8.217e-02 / CHEB/ 1.282e+01 5.789e-01 2.191e-01 1.395e-02 / CHEB/ 7.650e-01 5.091e-02 5.893e-02 3.380e-02 / CHEB/ 2.194e-01 2.899e-02 1.903e-02 1.230e-02 / CHEB/ 4.602e-02 2.005e-02 8.492e-03 1.696e-03 / CHEB/ -5.474e-03 -8.357e-04 1.536e-03 1.495e-03 /

3230.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-4.8	-2.2	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-5.2	-2.3	-0.7

Chebyshev(coeffs=[[-4.10483,-1.06483,-0.391808,-0.0591516],[8.20841,0.860243,0.209303,-0.0219516],[0.89864,0.0880808,0.0987843,0.0292542],[0.204485,0.0273973,0.0269601,0.0204957],[0.0369885,0.0222878,0.00591053,0.0028835],[-0.00732944,0.00113305,0.00277613,0.000967044]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.18
S298 (cal/mol*K) = -18.46
G298 (kcal/mol) = 20.68

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(599); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(599)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.105e+00 -1.065e+00 -3.918e-01 -5.915e-02 / CHEB/ 8.208e+00 8.602e-01 2.093e-01 -2.195e-02 / CHEB/ 8.986e-01 8.808e-02 9.878e-02 2.925e-02 / CHEB/ 2.045e-01 2.740e-02 2.696e-02 2.050e-02 / CHEB/ 3.699e-02 2.229e-02 5.911e-03 2.883e-03 / CHEB/ -7.329e-03 1.133e-03 2.776e-03 9.670e-04 /

3231.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	-0.5	-0.1	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-2.7	-1.2	-0.4	+0.1

Chebyshev(coeffs=[[4.22071,-1.60949,-0.421059,-0.0525095],[1.46074,1.04778,0.107747,-0.01087],[0.260359,0.253638,0.112866,-0.0150252],[0.0830386,0.0872592,0.06058,0.012362],[0.0314245,0.0367587,0.015764,0.00903649],[-0.00558924,0.00636561,0.00557318,0.00245296]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -58.62
S298 (cal/mol*K) = -44.99
G298 (kcal/mol) = -45.22

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(600); C2H4(72), C7H11(600); C5H7(210)+C2H4(72)(+M)=>C7H11(600)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.221e+00 -1.609e+00 -4.211e-01 -5.251e-02 / CHEB/ 1.461e+00 1.048e+00 1.077e-01 -1.087e-02 / CHEB/ 2.604e-01 2.536e-01 1.129e-01 -1.503e-02 / CHEB/ 8.304e-02 8.726e-02 6.058e-02 1.236e-02 / CHEB/ 3.142e-02 3.676e-02 1.576e-02 9.036e-03 / CHEB/ -5.589e-03 6.366e-03 5.573e-03 2.453e-03 /

3232.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+1.1	+1.4	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+0.4	+1.0	+1.4

Chebyshev(coeffs=[[5.99911,-1.63416,-0.42376,-0.0522976],[1.13213,1.0334,0.102065,-0.00975643],[0.159908,0.262424,0.110131,-0.0164743],[0.0641505,0.0966497,0.0610454,0.0106114],[0.0323985,0.0409982,0.0169247,0.00848796],[-0.00428655,0.00762624,0.00632264,0.0024197]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -98.89
S298 (cal/mol*K) = -58.66
G298 (kcal/mol) = -81.41

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(601); C2H4(72), C7H11(601); C5H7(210)+C2H4(72)(+M)=>C7H11(601)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.999e+00 -1.634e+00 -4.238e-01 -5.230e-02 / CHEB/ 1.132e+00 1.033e+00 1.021e-01 -9.756e-03 / CHEB/ 1.599e-01 2.624e-01 1.101e-01 -1.647e-02 / CHEB/ 6.415e-02 9.665e-02 6.105e-02 1.061e-02 / CHEB/ 3.240e-02 4.100e-02 1.692e-02 8.488e-03 / CHEB/ -4.287e-03 7.626e-03 6.323e-03 2.420e-03 /

3233.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.7	-6.9	-2.5	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-18.9	-7.0	-2.6	-0.2

Chebyshev(coeffs=[[-11.5547,-0.488651,-0.2676,-0.0917006],[16.6254,0.36527,0.176016,0.038997],[0.4904,0.0356502,0.0351161,0.0244608],[0.167003,0.033286,0.0194481,0.00857458],[0.0352994,0.0192242,0.010155,0.00305478],[-0.00762962,-0.00116302,0.000751126,0.0014516]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.30
S298 (cal/mol*K) = -1.14
G298 (kcal/mol) = 40.64

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H7(602); C2H4(72), C2H4(603); C5H7(210)+C2H4(72)(+M)=>C2H4(603)+C5H7(602)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.155e+01 -4.887e-01 -2.676e-01 -9.170e-02 / CHEB/ 1.663e+01 3.653e-01 1.760e-01 3.900e-02 / CHEB/ 4.904e-01 3.565e-02 3.512e-02 2.446e-02 / CHEB/ 1.670e-01 3.329e-02 1.945e-02 8.575e-03 / CHEB/ 3.530e-02 1.922e-02 1.015e-02 3.055e-03 / CHEB/ -7.630e-03 -1.163e-03 7.511e-04 1.452e-03 /

3280.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+5.6	+6.7	+7.1
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+4.9	+6.3	+6.9

Chebyshev(coeffs=[[9.40221,-1.75495,-0.0421755,-0.00464023],[3.09485,1.00608,-0.114061,0.02355],[0.603322,0.371829,-0.0918041,-0.0867312],[-0.0437316,0.0652601,0.0272949,-0.0130712],[-0.0838321,0.0122958,0.0406129,0.0264123],[-0.0296617,-0.00979651,0.00654299,0.0084353]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -82.77
S298 (cal/mol*K) = -20.55
G298 (kcal/mol) = -76.65

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(499); H(25), C7H10(499); C7H9(5)+H(25)(+M)=>C7H10(499)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.402e+00 -1.755e+00 -4.218e-02 -4.640e-03 / CHEB/ 3.095e+00 1.006e+00 -1.141e-01 2.355e-02 / CHEB/ 6.033e-01 3.718e-01 -9.180e-02 -8.673e-02 / CHEB/ -4.373e-02 6.526e-02 2.729e-02 -1.307e-02 / CHEB/ -8.383e-02 1.230e-02 4.061e-02 2.641e-02 / CHEB/ -2.966e-02 -9.797e-03 6.543e-03 8.435e-03 /

3281.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-0.4	+1.6	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-1.1	+1.2	+1.9

Chebyshev(coeffs=[[-2.70269,-1.88484,-0.330923,0.00508768],[11.3661,1.21993,-0.000642507,-0.0839013],[-0.132501,0.412334,0.112856,-0.00126542],[-0.380462,0.0153593,0.0524418,0.0121098],[-0.184568,-0.0554526,0.00669397,0.00592145],[-0.0392778,-0.0238245,-0.00674214,0.00107184]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.78
S298 (cal/mol*K) = 28.93
G298 (kcal/mol) = 24.16

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H7(669); H(25), CH3(425); C7H9(5)+H(25)(+M)=>CH3(425)+C6H7(669)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.703e+00 -1.885e+00 -3.309e-01 5.088e-03 / CHEB/ 1.137e+01 1.220e+00 -6.425e-04 -8.390e-02 / CHEB/ -1.325e-01 4.123e-01 1.129e-01 -1.265e-03 / CHEB/ -3.805e-01 1.536e-02 5.244e-02 1.211e-02 / CHEB/ -1.846e-01 -5.545e-02 6.694e-03 5.921e-03 / CHEB/ -3.928e-02 -2.382e-02 -6.742e-03 1.072e-03 /

3282.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-4.8	-2.3	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-16.0	-5.4	-2.5	-1.5

Chebyshev(coeffs=[[-8.24842,-1.79168,-0.361811,0.000415132],[13.3301,1.24815,0.0542615,-0.0844295],[-0.117923,0.364966,0.11827,0.00261489],[-0.326679,-0.0231187,0.0438479,0.0140827],[-0.147357,-0.0639341,-0.000952403,0.00666988],[-0.0297442,-0.0191281,-0.00842253,0.00108566]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.92
S298 (cal/mol*K) = 18.98
G298 (kcal/mol) = 34.26

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(670); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(670)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.248e+00 -1.792e+00 -3.618e-01 4.151e-04 / CHEB/ 1.333e+01 1.248e+00 5.426e-02 -8.443e-02 / CHEB/ -1.179e-01 3.650e-01 1.183e-01 2.615e-03 / CHEB/ -3.267e-01 -2.312e-02 4.385e-02 1.408e-02 / CHEB/ -1.474e-01 -6.393e-02 -9.524e-04 6.670e-03 / CHEB/ -2.974e-02 -1.913e-02 -8.423e-03 1.086e-03 /

3283.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-2.7	+0.0	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-3.1	-0.2	+0.9

Chebyshev(coeffs=[[-7.17473,-1.59637,-0.405389,-0.0117087],[14.9315,1.21945,0.143502,-0.0782877],[-0.366285,0.272649,0.118893,0.0106111],[-0.330192,-0.0720978,0.0232998,0.0177382],[-0.130887,-0.0610588,-0.0117023,0.00552479],[-0.0364389,-0.00556779,-0.0075138,-0.000517759]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.07
S298 (cal/mol*K) = 35.00
G298 (kcal/mol) = 37.65

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H5(99); H(25), C3H5(597); C7H9(5)+H(25)(+M)=>C3H5(597)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.175e+00 -1.596e+00 -4.054e-01 -1.171e-02 / CHEB/ 1.493e+01 1.219e+00 1.435e-01 -7.829e-02 / CHEB/ -3.663e-01 2.726e-01 1.189e-01 1.061e-02 / CHEB/ -3.302e-01 -7.210e-02 2.330e-02 1.774e-02 / CHEB/ -1.309e-01 -6.106e-02 -1.170e-02 5.525e-03 / CHEB/ -3.644e-02 -5.568e-03 -7.514e-03 -5.178e-04 /

3284.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-0.0	+3.0	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-0.6	+2.8	+4.6

Chebyshev(coeffs=[[-0.943998,-1.82363,-0.230958,0.0285766],[10.5837,1.31787,-0.000238965,-0.0821419],[0.810494,0.505371,0.105965,-0.0134246],[0.0630958,0.0248838,0.0386811,0.00460403],[0.0177765,-0.0993639,0.000658421,0.00608827],[0.0366164,-0.0790521,-0.0088588,0.00681387]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.69
S298 (cal/mol*K) = 19.63
G298 (kcal/mol) = 17.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(671); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(671)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.440e-01 -1.824e+00 -2.310e-01 2.858e-02 / CHEB/ 1.058e+01 1.318e+00 -2.390e-04 -8.214e-02 / CHEB/ 8.105e-01 5.054e-01 1.060e-01 -1.342e-02 / CHEB/ 6.310e-02 2.488e-02 3.868e-02 4.604e-03 / CHEB/ 1.778e-02 -9.936e-02 6.584e-04 6.088e-03 / CHEB/ 3.662e-02 -7.905e-02 -8.859e-03 6.814e-03 /

3285.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-2.7	+0.0	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-3.1	-0.2	+0.9

Chebyshev(coeffs=[[-7.17475,-1.59637,-0.405388,-0.0117084],[14.9315,1.21945,0.1435,-0.0782879],[-0.36628,0.272651,0.118893,0.0106109],[-0.330192,-0.0720971,0.0233002,0.0177382],[-0.130887,-0.061059,-0.0117021,0.00552484],[-0.0364386,-0.00556804,-0.00751385,-0.000517727]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.07
S298 (cal/mol*K) = 35.00
G298 (kcal/mol) = 37.65

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(602); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C2H3(100)+C5H7(602)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.175e+00 -1.596e+00 -4.054e-01 -1.171e-02 / CHEB/ 1.493e+01 1.219e+00 1.435e-01 -7.829e-02 / CHEB/ -3.663e-01 2.727e-01 1.189e-01 1.061e-02 / CHEB/ -3.302e-01 -7.210e-02 2.330e-02 1.774e-02 / CHEB/ -1.309e-01 -6.106e-02 -1.170e-02 5.525e-03 / CHEB/ -3.644e-02 -5.568e-03 -7.514e-03 -5.177e-04 /

3286.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-1.5	+2.0	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-2.0	+1.9	+3.9

Chebyshev(coeffs=[[-3.55986,-1.76722,-0.260001,0.0205132],[12.4513,1.37987,0.0492379,-0.0751892],[0.79291,0.439197,0.106353,-0.011465],[0.111126,-0.0353013,0.029906,0.0058394],[0.0356362,-0.113826,-0.0047934,0.00973032],[0.0179558,-0.0612526,-0.00933586,0.00762532]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.72
S298 (cal/mol*K) = 17.88
G298 (kcal/mol) = 25.39

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(672); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(672)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.560e+00 -1.767e+00 -2.600e-01 2.051e-02 / CHEB/ 1.245e+01 1.380e+00 4.924e-02 -7.519e-02 / CHEB/ 7.929e-01 4.392e-01 1.064e-01 -1.146e-02 / CHEB/ 1.111e-01 -3.530e-02 2.991e-02 5.839e-03 / CHEB/ 3.564e-02 -1.138e-01 -4.793e-03 9.730e-03 / CHEB/ 1.796e-02 -6.125e-02 -9.336e-03 7.625e-03 /

3287.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.3	-1.3	+2.0	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-1.9	+1.9	+3.9

Chebyshev(coeffs=[[-3.31641,-1.79227,-0.278483,0.0211417],[12.2655,1.3837,0.0368954,-0.0806191],[0.726687,0.43708,0.131989,-0.00853425],[0.110799,-0.0217567,0.0436471,0.011109],[0.0437716,-0.0987646,-0.00703409,0.00892686],[0.0135987,-0.0596724,-0.0140366,0.00448237]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.72
S298 (cal/mol*K) = 17.88
G298 (kcal/mol) = 25.39

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(673); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(673)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.316e+00 -1.792e+00 -2.785e-01 2.114e-02 / CHEB/ 1.227e+01 1.384e+00 3.690e-02 -8.062e-02 / CHEB/ 7.267e-01 4.371e-01 1.320e-01 -8.534e-03 / CHEB/ 1.108e-01 -2.176e-02 4.365e-02 1.111e-02 / CHEB/ 4.377e-02 -9.876e-02 -7.034e-03 8.927e-03 / CHEB/ 1.360e-02 -5.967e-02 -1.404e-02 4.482e-03 /

3288.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.8	-0.6	+2.4	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-1.2	+2.3	+4.1

Chebyshev(coeffs=[[-1.838,-1.8302,-0.252117,0.0268187],[11.0568,1.3571,0.00509271,-0.0807192],[0.679039,0.469886,0.124776,-0.0134982],[0.0797647,0.0106775,0.0458188,0.00703858],[0.0340012,-0.0883037,-0.00438115,0.00613528],[0.0327482,-0.0701453,-0.0132179,0.00497805]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.89
S298 (cal/mol*K) = 19.74
G298 (kcal/mol) = 21.01

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(674); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(674)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.838e+00 -1.830e+00 -2.521e-01 2.682e-02 / CHEB/ 1.106e+01 1.357e+00 5.093e-03 -8.072e-02 / CHEB/ 6.790e-01 4.699e-01 1.248e-01 -1.350e-02 / CHEB/ 7.976e-02 1.068e-02 4.582e-02 7.039e-03 / CHEB/ 3.400e-02 -8.830e-02 -4.381e-03 6.135e-03 / CHEB/ 3.275e-02 -7.015e-02 -1.322e-02 4.978e-03 /

3289.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.4	-4.2	-1.6	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-4.8	-1.8	-0.7

Chebyshev(coeffs=[[-8.04691,-1.75427,-0.372004,-0.00146557],[13.9306,1.24932,0.073528,-0.0841742],[-0.120985,0.346828,0.119349,0.0041996],[-0.311382,-0.0353374,0.040131,0.0149149],[-0.137028,-0.0650674,-0.00355662,0.00670525],[-0.0282127,-0.0166353,-0.00864356,0.000864379]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.12
S298 (cal/mol*K) = 18.56
G298 (kcal/mol) = 36.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(675); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(675)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.047e+00 -1.754e+00 -3.720e-01 -1.466e-03 / CHEB/ 1.393e+01 1.249e+00 7.353e-02 -8.417e-02 / CHEB/ -1.210e-01 3.468e-01 1.193e-01 4.200e-03 / CHEB/ -3.114e-01 -3.534e-02 4.013e-02 1.491e-02 / CHEB/ -1.370e-01 -6.507e-02 -3.557e-03 6.705e-03 / CHEB/ -2.821e-02 -1.664e-02 -8.644e-03 8.644e-04 /

3290.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	+0.4	+2.6	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-0.4	+2.2	+3.8

Chebyshev(coeffs=[[1.53696,-1.8271,-0.119555,0.0152688],[7.20956,1.10278,-0.105417,-0.0317933],[1.06592,0.454464,0.093929,-0.03699],[-0.127695,0.0786371,0.0387094,0.0011042],[-0.0321151,0.0472595,-0.0170523,-0.00600546],[0.0479413,0.0100787,-0.0158242,-0.00179208]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.85
S298 (cal/mol*K) = -2.22
G298 (kcal/mol) = 2.52

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(676); H(25), C7H10(676); C7H9(5)+H(25)(+M)=>C7H10(676)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.537e+00 -1.827e+00 -1.196e-01 1.527e-02 / CHEB/ 7.210e+00 1.103e+00 -1.054e-01 -3.179e-02 / CHEB/ 1.066e+00 4.545e-01 9.393e-02 -3.699e-02 / CHEB/ -1.277e-01 7.864e-02 3.871e-02 1.104e-03 / CHEB/ -3.212e-02 4.726e-02 -1.705e-02 -6.005e-03 / CHEB/ 4.794e-02 1.008e-02 -1.582e-02 -1.792e-03 /

3291.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+1.4	+2.3	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-3.4	+0.2	+1.7	+2.4

Chebyshev(coeffs=[[4.76475,-2.12045,-0.117067,-0.0232656],[3.36597,0.834252,-0.24439,0.0366109],[0.474243,0.606672,0.00661816,-0.0669351],[-0.0950235,0.211585,0.10976,-0.0182687],[-0.0377391,0.0528223,0.0614056,0.0249487],[0.034894,0.0190828,0.00601826,0.011636]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.08
S298 (cal/mol*K) = -7.72
G298 (kcal/mol) = -11.78

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(599); H(25), C7H10(599); C7H9(5)+H(25)(+M)=>C7H10(599)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.765e+00 -2.120e+00 -1.171e-01 -2.327e-02 / CHEB/ 3.366e+00 8.343e-01 -2.444e-01 3.661e-02 / CHEB/ 4.742e-01 6.067e-01 6.618e-03 -6.694e-02 / CHEB/ -9.502e-02 2.116e-01 1.098e-01 -1.827e-02 / CHEB/ -3.774e-02 5.282e-02 6.141e-02 2.495e-02 / CHEB/ 3.489e-02 1.908e-02 6.018e-03 1.164e-02 /

3292.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	-0.9	+0.6	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-2.0	+0.1	+1.5

Chebyshev(coeffs=[[1.64371,-1.96321,-0.142983,0.00426198],[4.95142,0.924064,-0.14553,-0.0034544],[0.850839,0.627126,0.0963894,-0.0542958],[-0.0345526,0.263332,0.105722,0.00952775],[-0.0223346,0.0965784,0.0284699,0.0141322],[0.0757065,0.0213348,-0.0135663,-0.01296]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.08
S298 (cal/mol*K) = -7.72
G298 (kcal/mol) = -11.78

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(595); H(25), C7H10(595); C7H9(5)+H(25)(+M)=>C7H10(595)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.644e+00 -1.963e+00 -1.430e-01 4.262e-03 / CHEB/ 4.951e+00 9.241e-01 -1.455e-01 -3.454e-03 / CHEB/ 8.508e-01 6.271e-01 9.639e-02 -5.430e-02 / CHEB/ -3.455e-02 2.633e-01 1.057e-01 9.528e-03 / CHEB/ -2.233e-02 9.658e-02 2.847e-02 1.413e-02 / CHEB/ 7.571e-02 2.133e-02 -1.357e-02 -1.296e-02 /

3293.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+1.3	+2.9	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-3.5	+0.3	+2.6	+4.1

Chebyshev(coeffs=[[4.79777,-1.99754,-0.093304,-0.0111038],[4.07217,1.02216,-0.17025,0.0243955],[0.841332,0.711576,0.0684943,-0.0704243],[0.154514,0.249963,0.113458,-0.0143027],[0.111376,0.0222368,0.0264581,0.019766],[0.0937497,-0.0748374,-0.0351835,0.0044115]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.39
S298 (cal/mol*K) = -3.28
G298 (kcal/mol) = -9.41

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(594); H(25), C7H10(594); C7H9(5)+H(25)(+M)=>C7H10(594)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.798e+00 -1.998e+00 -9.330e-02 -1.110e-02 / CHEB/ 4.072e+00 1.022e+00 -1.703e-01 2.440e-02 / CHEB/ 8.413e-01 7.116e-01 6.849e-02 -7.042e-02 / CHEB/ 1.545e-01 2.500e-01 1.135e-01 -1.430e-02 / CHEB/ 1.114e-01 2.224e-02 2.646e-02 1.977e-02 / CHEB/ 9.375e-02 -7.484e-02 -3.518e-02 4.411e-03 /

3294.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+3.4	+4.3	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-1.7	+2.3	+3.7	+4.0

Chebyshev(coeffs=[[6.46437,-1.96371,-0.111059,0.00573247],[3.58552,0.799081,-0.153097,0.0233002],[0.517359,0.479122,0.00370894,-0.0770752],[-0.227771,0.205988,0.0762531,-0.0122242],[-0.205654,0.0977456,0.0386557,0.0211644],[-0.0666435,0.0343569,-0.00490048,0.000234938]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.31
S298 (cal/mol*K) = -8.42
G298 (kcal/mol) = -53.80

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(590); H(25), C7H10(590); C7H9(5)+H(25)(+M)=>C7H10(590)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.464e+00 -1.964e+00 -1.111e-01 5.732e-03 / CHEB/ 3.586e+00 7.991e-01 -1.531e-01 2.330e-02 / CHEB/ 5.174e-01 4.791e-01 3.709e-03 -7.708e-02 / CHEB/ -2.278e-01 2.060e-01 7.625e-02 -1.222e-02 / CHEB/ -2.057e-01 9.775e-02 3.866e-02 2.116e-02 / CHEB/ -6.664e-02 3.436e-02 -4.900e-03 2.349e-04 /

3295.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.9	+2.0	+3.5	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+1.0	+3.0	+3.9

Chebyshev(coeffs=[[4.14466,-1.99804,-0.191665,-0.0093886],[5.19635,0.864516,-0.224423,-0.0421866],[0.802565,0.53072,0.0522342,-0.069939],[-0.13329,0.1537,0.0776875,0.0094067],[-0.104855,0.00807433,0.019971,0.0192665],[0.0171214,-0.0252886,-0.0047518,-0.00231349]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.31
S298 (cal/mol*K) = -0.62
G298 (kcal/mol) = -7.12

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(677); H(25), C7H10(677); C7H9(5)+H(25)(+M)=>C7H10(677)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.145e+00 -1.998e+00 -1.917e-01 -9.389e-03 / CHEB/ 5.196e+00 8.645e-01 -2.244e-01 -4.219e-02 / CHEB/ 8.026e-01 5.307e-01 5.223e-02 -6.994e-02 / CHEB/ -1.333e-01 1.537e-01 7.769e-02 9.407e-03 / CHEB/ -1.049e-01 8.074e-03 1.997e-02 1.927e-02 / CHEB/ 1.712e-02 -2.529e-02 -4.752e-03 -2.313e-03 /

3296.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	+4.4	+6.0	+6.3
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+3.5	+5.5	+6.1

Chebyshev(coeffs=[[3.89452,-1.99748,-0.260561,0.0264186],[8.57181,1.04243,-0.111281,-0.0946012],[0.284516,0.479044,0.0979047,-0.00843069],[-0.369669,0.0988056,0.0616898,0.0161978],[-0.220305,-0.0188631,0.0186278,0.00357143],[-0.0538536,-0.0203312,-0.00141274,-0.00302728]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.72
S298 (cal/mol*K) = 19.28
G298 (kcal/mol) = 7.97

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(678); H(25), C7H10(678); C7H9(5)+H(25)(+M)=>C7H10(678)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.895e+00 -1.997e+00 -2.606e-01 2.642e-02 / CHEB/ 8.572e+00 1.042e+00 -1.113e-01 -9.460e-02 / CHEB/ 2.845e-01 4.790e-01 9.790e-02 -8.431e-03 / CHEB/ -3.697e-01 9.881e-02 6.169e-02 1.620e-02 / CHEB/ -2.203e-01 -1.886e-02 1.863e-02 3.571e-03 / CHEB/ -5.385e-02 -2.033e-02 -1.413e-03 -3.027e-03 /

3297.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	+4.4	+6.0	+6.3
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+3.5	+5.5	+6.1

H298 (kcal/mol) = 13.72
S298 (cal/mol*K) = 19.28
G298 (kcal/mol) = 7.97

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(679); H(25), C7H10(679); C7H9(5)+H(25)(+M)=>C7H10(679)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.895e+00 -1.997e+00 -2.606e-01 2.642e-02 / CHEB/ 8.572e+00 1.042e+00 -1.113e-01 -9.460e-02 / CHEB/ 2.845e-01 4.790e-01 9.790e-02 -8.431e-03 / CHEB/ -3.697e-01 9.881e-02 6.169e-02 1.620e-02 / CHEB/ -2.203e-01 -1.886e-02 1.863e-02 3.571e-03 / CHEB/ -5.385e-02 -2.033e-02 -1.413e-03 -3.027e-03 /

3298.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	+0.5	+1.1	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-5.3	-0.6	+0.4	+0.3

Chebyshev(coeffs=[[2.84437,-2.06602,-0.179696,0.000809035],[4.04389,0.737869,-0.210344,-0.0141236],[0.333238,0.47168,0.0521028,-0.0569266],[-0.403958,0.157039,0.0810463,0.0131643],[-0.288929,0.0421622,0.0252757,0.0207918],[-0.107637,0.00742474,-0.00107742,-0.00370006]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -1.45
G298 (kcal/mol) = -9.81

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(680); H(25), C7H10(680); C7H9(5)+H(25)(+M)=>C7H10(680)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.844e+00 -2.066e+00 -1.797e-01 8.090e-04 / CHEB/ 4.044e+00 7.379e-01 -2.103e-01 -1.412e-02 / CHEB/ 3.332e-01 4.717e-01 5.210e-02 -5.693e-02 / CHEB/ -4.040e-01 1.570e-01 8.105e-02 1.316e-02 / CHEB/ -2.889e-01 4.216e-02 2.528e-02 2.079e-02 / CHEB/ -1.076e-01 7.425e-03 -1.077e-03 -3.700e-03 /

3299.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.3	-0.4	+1.1	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-8.8	-1.3	+0.6	+1.0

Chebyshev(coeffs=[[-0.640943,-2.00678,-0.253796,0.0280892],[8.1151,1.0184,-0.122239,-0.0939425],[0.258681,0.480106,0.0960121,-0.0107121],[-0.386827,0.106806,0.0622299,0.0172083],[-0.242532,-0.0130802,0.0194489,0.00382518],[-0.0665355,-0.0181115,-0.000600511,-0.0036841]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.43
S298 (cal/mol*K) = -3.54
G298 (kcal/mol) = 13.48

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(681); H(25), C7H10(681); C7H9(5)+H(25)(+M)=>C7H10(681)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.409e-01 -2.007e+00 -2.538e-01 2.809e-02 / CHEB/ 8.115e+00 1.018e+00 -1.222e-01 -9.394e-02 / CHEB/ 2.587e-01 4.801e-01 9.601e-02 -1.071e-02 / CHEB/ -3.868e-01 1.068e-01 6.223e-02 1.721e-02 / CHEB/ -2.425e-01 -1.308e-02 1.945e-02 3.825e-03 / CHEB/ -6.654e-02 -1.811e-02 -6.005e-04 -3.684e-03 /

3300.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+5.5	+6.3	+6.5
log₁₀(k(10 bar)/[mole,m,s])	+1.5	+4.6	+5.8	+6.4

Chebyshev(coeffs=[[9.49599,-1.90585,-0.0834591,-0.00627735],[2.64767,0.874484,-0.100304,0.0374119],[0.44836,0.51861,-0.0175898,-0.0743522],[-0.0870213,0.174837,0.0249257,-0.0356959],[-0.101515,0.0463539,0.0137944,0.0156639],[-0.0312142,-0.000754373,-0.00934309,0.0133825]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -51.76
S298 (cal/mol*K) = -14.68
G298 (kcal/mol) = -47.39

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(682); H(25), C7H10(682); C7H9(5)+H(25)(+M)=>C7H10(682)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.496e+00 -1.906e+00 -8.346e-02 -6.277e-03 / CHEB/ 2.648e+00 8.745e-01 -1.003e-01 3.741e-02 / CHEB/ 4.484e-01 5.186e-01 -1.759e-02 -7.435e-02 / CHEB/ -8.702e-02 1.748e-01 2.493e-02 -3.570e-02 / CHEB/ -1.015e-01 4.635e-02 1.379e-02 1.566e-02 / CHEB/ -3.121e-02 -7.544e-04 -9.343e-03 1.338e-02 /

3301.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.2	+3.0	+4.0	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+3.1	+4.5	+4.9

Chebyshev(coeffs=[[7.05498,0.0626059,-0.0926375,-0.0222094],[2.57473,0.880985,-0.066877,0.0566542],[0.611275,0.461444,-0.0553632,-0.0739225],[-0.0580243,0.139885,-0.00187997,-0.041641],[-0.1697,0.0390959,0.0155927,0.0150075],[-0.0992409,0.0060222,0.000151078,0.0172434]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.71
S298 (cal/mol*K) = -12.83
G298 (kcal/mol) = -48.89

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(683); H(25), C7H10(683); C7H9(5)+H(25)(+M)=>C7H10(683)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.055e+00 6.261e-02 -9.264e-02 -2.221e-02 / CHEB/ 2.575e+00 8.810e-01 -6.688e-02 5.665e-02 / CHEB/ 6.113e-01 4.614e-01 -5.536e-02 -7.392e-02 / CHEB/ -5.802e-02 1.399e-01 -1.880e-03 -4.164e-02 / CHEB/ -1.697e-01 3.910e-02 1.559e-02 1.501e-02 / CHEB/ -9.924e-02 6.022e-03 1.511e-04 1.724e-02 /

3304.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.0	-3.8	-0.1	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-15.6	-4.2	-0.2	+1.6

Chebyshev(coeffs=[[-8.28661,-0.776673,-0.404785,-0.127184],[15.673,0.446931,0.207291,0.0456431],[0.277909,0.133817,0.0762709,0.0264083],[0.0275512,0.0915226,0.0442992,0.0113494],[-0.0313942,0.019147,0.0121812,0.00514887],[-0.0355343,-0.0131225,-0.00301251,0.00193439]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.47
S298 (cal/mol*K) = 38.68
G298 (kcal/mol) = 28.94

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(549); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(549)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.287e+00 -7.767e-01 -4.048e-01 -1.272e-01 / CHEB/ 1.567e+01 4.469e-01 2.073e-01 4.564e-02 / CHEB/ 2.779e-01 1.338e-01 7.627e-02 2.641e-02 / CHEB/ 2.755e-02 9.152e-02 4.430e-02 1.135e-02 / CHEB/ -3.139e-02 1.915e-02 1.218e-02 5.149e-03 / CHEB/ -3.553e-02 -1.312e-02 -3.013e-03 1.934e-03 /

3305.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	+0.6	+2.7	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-6.8	+0.0	+2.4	+3.5

Chebyshev(coeffs=[[0.375019,-1.50185,-0.611513,-0.102311],[8.91899,1.09356,0.376139,0.0105215],[0.291369,0.178137,0.0980164,0.0328851],[0.0034407,0.0775937,0.0251694,0.0023581],[-0.0439068,0.0171497,0.0100214,0.00232869],[-0.0363722,-0.0151287,0.00133268,0.00424535]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.84
S298 (cal/mol*K) = 50.65
G298 (kcal/mol) = 1.75

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H4(550); H(25), C3H7(433); C7H10(1)+H(25)(+M)=>C3H7(433)+C4H4(550)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.750e-01 -1.502e+00 -6.115e-01 -1.023e-01 / CHEB/ 8.919e+00 1.094e+00 3.761e-01 1.052e-02 / CHEB/ 2.914e-01 1.781e-01 9.802e-02 3.289e-02 / CHEB/ 3.441e-03 7.759e-02 2.517e-02 2.358e-03 / CHEB/ -4.391e-02 1.715e-02 1.002e-02 2.329e-03 / CHEB/ -3.637e-02 -1.513e-02 1.333e-03 4.245e-03 /

3306.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.3	-1.3	+2.1	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-1.6	+2.0	+3.7

Chebyshev(coeffs=[[-5.73936,-0.674338,-0.362772,-0.123824],[15.5115,0.375178,0.190798,0.0548763],[0.00639524,0.12746,0.0663948,0.021985],[-0.0372021,0.0889087,0.0408704,0.00842781],[-0.0458766,0.0119038,0.00884868,0.0042686],[-0.0374464,-0.0188612,-0.00574137,0.00117958]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.41
S298 (cal/mol*K) = 54.02
G298 (kcal/mol) = 31.31

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H6(551); H(25), C2H5(421); C7H10(1)+H(25)(+M)=>C5H6(551)+C2H5(421)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.739e+00 -6.743e-01 -3.628e-01 -1.238e-01 / CHEB/ 1.551e+01 3.752e-01 1.908e-01 5.488e-02 / CHEB/ 6.395e-03 1.275e-01 6.639e-02 2.198e-02 / CHEB/ -3.720e-02 8.891e-02 4.087e-02 8.428e-03 / CHEB/ -4.588e-02 1.190e-02 8.849e-03 4.269e-03 / CHEB/ -3.745e-02 -1.886e-02 -5.741e-03 1.180e-03 /

3307.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.1	-6.4	-1.5	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-22.4	-6.6	-1.5	+0.8

Chebyshev(coeffs=[[-15.1235,-0.369531,-0.220892,-0.0934607],[22.1867,0.175056,0.100447,0.0387603],[-0.115198,0.07647,0.0444299,0.0179286],[-0.0770671,0.0658313,0.0364897,0.0128261],[-0.0555818,0.00871527,0.00646749,0.00360735],[-0.0378165,-0.0139207,-0.00648882,-0.00125525]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.04
S298 (cal/mol*K) = 53.10
G298 (kcal/mol) = 54.22

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(552); H(25), CH3(425); C7H10(1)+H(25)(+M)=>C6H8(552)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.512e+01 -3.695e-01 -2.209e-01 -9.346e-02 / CHEB/ 2.219e+01 1.751e-01 1.004e-01 3.876e-02 / CHEB/ -1.152e-01 7.647e-02 4.443e-02 1.793e-02 / CHEB/ -7.707e-02 6.583e-02 3.649e-02 1.283e-02 / CHEB/ -5.558e-02 8.715e-03 6.467e-03 3.607e-03 / CHEB/ -3.782e-02 -1.392e-02 -6.489e-03 -1.255e-03 /

3308.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.0	-9.7	-3.6	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-28.2	-9.9	-3.7	-0.6

Chebyshev(coeffs=[[-20.5737,-0.375543,-0.220638,-0.0901832],[25.7682,0.147,0.0830932,0.0314363],[0.152646,0.105034,0.0568037,0.0187865],[0.0410448,0.079569,0.0439967,0.0152581],[0.000967586,0.00932709,0.00807433,0.00534347],[-0.0119657,-0.0175032,-0.00742656,-0.000595599]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.67
S298 (cal/mol*K) = 45.28
G298 (kcal/mol) = 66.18

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(116); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(116)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.057e+01 -3.755e-01 -2.206e-01 -9.018e-02 / CHEB/ 2.577e+01 1.470e-01 8.309e-02 3.144e-02 / CHEB/ 1.526e-01 1.050e-01 5.680e-02 1.879e-02 / CHEB/ 4.104e-02 7.957e-02 4.400e-02 1.526e-02 / CHEB/ 9.676e-04 9.327e-03 8.074e-03 5.343e-03 / CHEB/ -1.197e-02 -1.750e-02 -7.427e-03 -5.956e-04 /

3309.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.0	-4.2	+0.2	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-18.3	-4.4	+0.1	+2.2

Chebyshev(coeffs=[[-11.1258,-0.470328,-0.270902,-0.106414],[19.4714,0.236173,0.129844,0.0452504],[-0.0452449,0.095212,0.0531491,0.0200104],[-0.0530383,0.076077,0.0395447,0.011827],[-0.0487884,0.0100374,0.0074532,0.00396935],[-0.0369259,-0.0161532,-0.00661321,-0.000515689]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.52
S298 (cal/mol*K) = 56.25
G298 (kcal/mol) = 43.76

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H4(553); H(25), C3H7(433); C7H10(1)+H(25)(+M)=>C4H4(553)+C3H7(433)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.113e+01 -4.703e-01 -2.709e-01 -1.064e-01 / CHEB/ 1.947e+01 2.362e-01 1.298e-01 4.525e-02 / CHEB/ -4.524e-02 9.521e-02 5.315e-02 2.001e-02 / CHEB/ -5.304e-02 7.608e-02 3.954e-02 1.183e-02 / CHEB/ -4.879e-02 1.004e-02 7.453e-03 3.969e-03 / CHEB/ -3.693e-02 -1.615e-02 -6.613e-03 -5.157e-04 /

3310.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.0	-6.6	-1.9	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-20.4	-6.8	-2.0	+0.5

Chebyshev(coeffs=[[-13.1777,-0.529721,-0.280513,-0.104027],[19.3939,0.275635,0.131633,0.0428891],[0.126609,0.100142,0.0548799,0.0193755],[0.0944478,0.0833634,0.0392022,0.0100005],[0.0745433,0.0150052,0.00859184,0.00315568],[0.0107045,-0.0148204,-0.00484027,0.000100263]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.28
S298 (cal/mol*K) = 39.95
G298 (kcal/mol) = 46.38

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(69); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(69)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.318e+01 -5.297e-01 -2.805e-01 -1.040e-01 / CHEB/ 1.939e+01 2.756e-01 1.316e-01 4.289e-02 / CHEB/ 1.266e-01 1.001e-01 5.488e-02 1.938e-02 / CHEB/ 9.445e-02 8.336e-02 3.920e-02 1.000e-02 / CHEB/ 7.454e-02 1.501e-02 8.592e-03 3.156e-03 / CHEB/ 1.070e-02 -1.482e-02 -4.840e-03 1.003e-04 /

3311.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.9	-7.9	-2.8	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-24.2	-8.1	-2.9	-0.4

Chebyshev(coeffs=[[-16.7946,-0.443745,-0.261337,-0.105881],[22.4959,0.225417,0.121066,0.038361],[0.0394982,0.0783408,0.0514563,0.0255252],[-0.0419491,0.0708208,0.0395452,0.014185],[-0.0451791,0.0167256,0.0102048,0.00421033],[-0.0347198,-0.0102471,-0.00452607,-0.000524636]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 69.41
S298 (cal/mol*K) = 43.17
G298 (kcal/mol) = 56.55

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(554); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(554)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.679e+01 -4.437e-01 -2.613e-01 -1.059e-01 / CHEB/ 2.250e+01 2.254e-01 1.211e-01 3.836e-02 / CHEB/ 3.950e-02 7.834e-02 5.146e-02 2.553e-02 / CHEB/ -4.195e-02 7.082e-02 3.955e-02 1.418e-02 / CHEB/ -4.518e-02 1.673e-02 1.020e-02 4.210e-03 / CHEB/ -3.472e-02 -1.025e-02 -4.526e-03 -5.246e-04 /

3312.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.3	-11.2	-4.5	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-31.4	-11.3	-4.6	-1.3

Chebyshev(coeffs=[[-23.5668,-0.249199,-0.156199,-0.0722699],[28.1281,0.117504,0.071386,0.0310968],[0.21309,0.0525846,0.0323772,0.0144455],[0.00752477,0.0478531,0.0287433,0.0120992],[-0.0272487,0.00479493,0.00385467,0.00247207],[-0.0250705,-0.0110516,-0.00600282,-0.00196675]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.99
S298 (cal/mol*K) = 43.45
G298 (kcal/mol) = 74.04

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(555); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(555)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.357e+01 -2.492e-01 -1.562e-01 -7.227e-02 / CHEB/ 2.813e+01 1.175e-01 7.139e-02 3.110e-02 / CHEB/ 2.131e-01 5.258e-02 3.238e-02 1.445e-02 / CHEB/ 7.525e-03 4.785e-02 2.874e-02 1.210e-02 / CHEB/ -2.725e-02 4.795e-03 3.855e-03 2.472e-03 / CHEB/ -2.507e-02 -1.105e-02 -6.003e-03 -1.967e-03 /

3313.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+1.6	+3.3	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-4.8	+1.0	+3.0	+3.9

Chebyshev(coeffs=[[2.50263,-1.85908,-0.64122,-0.0666818],[7.15501,1.43162,0.369352,-0.0365574],[0.283048,0.182801,0.123234,0.0375676],[-0.010808,0.0611265,0.0215762,0.00581295],[-0.0434128,0.0175935,0.007543,0.00107835],[-0.0359947,-0.0114542,0.00299022,0.00372726]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.06
S298 (cal/mol*K) = 6.20
G298 (kcal/mol) = -12.90

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(556); H(25), C7H11(556); C7H10(1)+H(25)(+M)=>C7H11(556)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.503e+00 -1.859e+00 -6.412e-01 -6.668e-02 / CHEB/ 7.155e+00 1.432e+00 3.694e-01 -3.656e-02 / CHEB/ 2.830e-01 1.828e-01 1.232e-01 3.757e-02 / CHEB/ -1.081e-02 6.113e-02 2.158e-02 5.813e-03 / CHEB/ -4.341e-02 1.759e-02 7.543e-03 1.078e-03 / CHEB/ -3.599e-02 -1.145e-02 2.990e-03 3.727e-03 /

3314.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.2	-12.2	-5.8	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-32.3	-12.4	-5.9	-2.8

Chebyshev(coeffs=[[-24.7128,-0.238321,-0.150259,-0.0702549],[28.1165,0.102009,0.06259,0.0278005],[-0.0815454,0.0514937,0.0316145,0.014013],[-0.0749119,0.0481674,0.0290092,0.0122818],[-0.0523929,0.00601326,0.0044666,0.00263083],[-0.0332628,-0.0102383,-0.00557008,-0.00183311]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.70
S298 (cal/mol*K) = 48.51
G298 (kcal/mol) = 74.24

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(557); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(557)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.471e+01 -2.383e-01 -1.503e-01 -7.025e-02 / CHEB/ 2.812e+01 1.020e-01 6.259e-02 2.780e-02 / CHEB/ -8.155e-02 5.149e-02 3.161e-02 1.401e-02 / CHEB/ -7.491e-02 4.817e-02 2.901e-02 1.228e-02 / CHEB/ -5.239e-02 6.013e-03 4.467e-03 2.631e-03 / CHEB/ -3.326e-02 -1.024e-02 -5.570e-03 -1.833e-03 /

3315.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-49.2	-19.6	-10.1	-5.5
log₁₀(k(10 bar)/[mole,m,s])	-49.2	-19.6	-10.1	-5.5

Chebyshev(coeffs=[[-40.8948,-0.0727992,-0.0490601,-0.0257901],[41.7752,0.0157542,0.0106044,0.00556652],[-0.203943,0.0221351,0.0146604,0.00746758],[-0.11829,0.018614,0.012293,0.00623097],[-0.0581914,0.00188187,0.00133752,0.000766171],[-0.0279623,-0.00411669,-0.00262622,-0.001245]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 125.01
S298 (cal/mol*K) = 57.67
G298 (kcal/mol) = 107.83

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(558); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(558)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.089e+01 -7.280e-02 -4.906e-02 -2.579e-02 / CHEB/ 4.178e+01 1.575e-02 1.060e-02 5.567e-03 / CHEB/ -2.039e-01 2.214e-02 1.466e-02 7.468e-03 / CHEB/ -1.183e-01 1.861e-02 1.229e-02 6.231e-03 / CHEB/ -5.819e-02 1.882e-03 1.338e-03 7.662e-04 / CHEB/ -2.796e-02 -4.117e-03 -2.626e-03 -1.245e-03 /

3316.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-2.0	+1.0	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-2.4	+0.8	+2.3

Chebyshev(coeffs=[[-4.00997,-1.05791,-0.503788,-0.130256],[11.9613,0.713414,0.309772,0.0545965],[0.337019,0.154776,0.0787173,0.0252133],[0.0432408,0.0871763,0.0331577,0.00327872],[-0.0236008,0.0127317,0.00999712,0.00422869],[-0.0302687,-0.0197766,-0.00280101,0.00345607]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.99
S298 (cal/mol*K) = 14.08
G298 (kcal/mol) = -24.18

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(559); H(25), C7H11(559); C7H10(1)+H(25)(+M)=>C7H11(559)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.010e+00 -1.058e+00 -5.038e-01 -1.303e-01 / CHEB/ 1.196e+01 7.134e-01 3.098e-01 5.460e-02 / CHEB/ 3.370e-01 1.548e-01 7.872e-02 2.521e-02 / CHEB/ 4.324e-02 8.718e-02 3.316e-02 3.279e-03 / CHEB/ -2.360e-02 1.273e-02 9.997e-03 4.229e-03 / CHEB/ -3.027e-02 -1.978e-02 -2.801e-03 3.456e-03 /

3317.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.3	-6.6	-2.8	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-17.8	-6.9	-2.9	-0.9

Chebyshev(coeffs=[[-10.4108,-0.786506,-0.406303,-0.127207],[14.935,0.515307,0.247542,0.0613105],[0.497879,0.125907,0.0671306,0.0234487],[0.0940534,0.0811116,0.0361793,0.00692805],[-0.00640685,0.00776151,0.00789937,0.00459627],[-0.0245481,-0.0211258,-0.0059927,0.00167897]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.79
S298 (cal/mol*K) = 14.96
G298 (kcal/mol) = -24.24

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(560); H(25), C7H11(560); C7H10(1)+H(25)(+M)=>C7H11(560)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.041e+01 -7.865e-01 -4.063e-01 -1.272e-01 / CHEB/ 1.493e+01 5.153e-01 2.475e-01 6.131e-02 / CHEB/ 4.979e-01 1.259e-01 6.713e-02 2.345e-02 / CHEB/ 9.405e-02 8.111e-02 3.618e-02 6.928e-03 / CHEB/ -6.407e-03 7.762e-03 7.899e-03 4.596e-03 / CHEB/ -2.455e-02 -2.113e-02 -5.993e-03 1.679e-03 /

3318.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+2.5	+3.3	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-2.1	+1.7	+2.9	+3.3

Chebyshev(coeffs=[[5.4859,-2.79079,-0.534262,-0.0239244],[3.80917,2.21297,0.130502,-0.0721922],[0.138664,0.296833,0.195398,0.0147913],[-0.0440975,0.0176438,0.0469451,0.0106651],[-0.0413002,0.00392614,0.00269268,0.00372992],[-0.0345029,-0.00261681,0.000619162,0.00351724]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.72
S298 (cal/mol*K) = 11.90
G298 (kcal/mol) = -25.26

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(561); H(25), C7H11(561); C7H10(1)+H(25)(+M)=>C7H11(561)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.486e+00 -2.791e+00 -5.343e-01 -2.392e-02 / CHEB/ 3.809e+00 2.213e+00 1.305e-01 -7.219e-02 / CHEB/ 1.387e-01 2.968e-01 1.954e-01 1.479e-02 / CHEB/ -4.410e-02 1.764e-02 4.695e-02 1.067e-02 / CHEB/ -4.130e-02 3.926e-03 2.693e-03 3.730e-03 / CHEB/ -3.450e-02 -2.617e-03 6.192e-04 3.517e-03 /

3319.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+2.3	+3.9	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+1.7	+3.6	+4.5

Chebyshev(coeffs=[[3.79587,-2.10819,-0.620431,-0.0469408],[6.36446,1.71048,0.322859,-0.0585739],[0.38507,0.167789,0.151764,0.0366884],[0.0117752,0.0451226,0.0211085,0.0094252],[-0.0330664,0.0178085,0.00453882,0.00126892],[-0.0321747,-0.00973214,0.00320767,0.00323257]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.36
S298 (cal/mol*K) = 18.98
G298 (kcal/mol) = -13.01

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(562); H(25), C7H11(562); C7H10(1)+H(25)(+M)=>C7H11(562)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.796e+00 -2.108e+00 -6.204e-01 -4.694e-02 / CHEB/ 6.364e+00 1.710e+00 3.229e-01 -5.857e-02 / CHEB/ 3.851e-01 1.678e-01 1.518e-01 3.669e-02 / CHEB/ 1.178e-02 4.512e-02 2.111e-02 9.425e-03 / CHEB/ -3.307e-02 1.781e-02 4.539e-03 1.269e-03 / CHEB/ -3.217e-02 -9.732e-03 3.208e-03 3.233e-03 /

3320.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	-2.2	-0.6	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-8.5	-2.9	-0.9	+0.1

Chebyshev(coeffs=[[-1.06169,-1.98141,-0.632688,-0.0555076],[6.80503,1.57568,0.350716,-0.0495211],[0.358563,0.171578,0.136795,0.0383164],[0.00689074,0.0529934,0.0207576,0.00766734],[-0.0358499,0.0180689,0.00622284,0.00102486],[-0.0332506,-0.0107527,0.00314843,0.00350097]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.71
S298 (cal/mol*K) = 17.27
G298 (kcal/mol) = -9.85

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(563); H(25), C7H11(563); C7H10(1)+H(25)(+M)=>C7H11(563)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.062e+00 -1.981e+00 -6.327e-01 -5.551e-02 / CHEB/ 6.805e+00 1.576e+00 3.507e-01 -4.952e-02 / CHEB/ 3.586e-01 1.716e-01 1.368e-01 3.832e-02 / CHEB/ 6.891e-03 5.299e-02 2.076e-02 7.667e-03 / CHEB/ -3.585e-02 1.807e-02 6.223e-03 1.025e-03 / CHEB/ -3.325e-02 -1.075e-02 3.148e-03 3.501e-03 /

3321.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.0	-11.4	-4.8	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-32.1	-11.5	-4.8	-1.7

Chebyshev(coeffs=[[-24.4808,-0.22268,-0.141337,-0.0668769],[29.0501,0.0937237,0.0580253,0.0262154],[-0.074906,0.0485784,0.0300273,0.0134701],[-0.0740106,0.0457117,0.0277945,0.0120047],[-0.0516183,0.00559905,0.00415863,0.00246237],[-0.0324239,-0.00974388,-0.00539225,-0.00185604]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.15
S298 (cal/mol*K) = 50.84
G298 (kcal/mol) = 68.00

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(565); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>C6H9(565)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.448e+01 -2.227e-01 -1.413e-01 -6.688e-02 / CHEB/ 2.905e+01 9.372e-02 5.803e-02 2.622e-02 / CHEB/ -7.491e-02 4.858e-02 3.003e-02 1.347e-02 / CHEB/ -7.401e-02 4.571e-02 2.779e-02 1.200e-02 / CHEB/ -5.162e-02 5.599e-03 4.159e-03 2.462e-03 / CHEB/ -3.242e-02 -9.744e-03 -5.392e-03 -1.856e-03 /

3322.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.1	+3.3	+3.4	+3.5
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+3.0	+3.3	+3.5

Chebyshev(coeffs=[[8.85776,-0.467268,-0.275207,-0.110211],[0.405863,0.206332,0.115701,0.0404372],[0.107482,0.120827,0.0680588,0.0242498],[0.0665025,0.0747112,0.0413697,0.0142307],[0.0197078,0.00635416,0.00580044,0.00434417],[-0.0037526,-0.0156531,-0.00673274,-0.000376255]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -55.46
S298 (cal/mol*K) = -37.18
G298 (kcal/mol) = -44.38

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(308); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(308)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.858e+00 -4.673e-01 -2.752e-01 -1.102e-01 / CHEB/ 4.059e-01 2.063e-01 1.157e-01 4.044e-02 / CHEB/ 1.075e-01 1.208e-01 6.806e-02 2.425e-02 / CHEB/ 6.650e-02 7.471e-02 4.137e-02 1.423e-02 / CHEB/ 1.971e-02 6.354e-03 5.800e-03 4.344e-03 / CHEB/ -3.753e-03 -1.565e-02 -6.733e-03 -3.763e-04 /

3323.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+2.6	+2.7	+2.7
log₁₀(k(10 bar)/[mole,m,s])	+2.2	+2.4	+2.6	+2.6

Chebyshev(coeffs=[[8.21224,-0.470385,-0.276919,-0.110783],[0.312676,0.202739,0.113622,0.0396348],[0.0525506,0.120356,0.0676093,0.0239091],[0.0385257,0.0756882,0.0417275,0.0141752],[0.00699528,0.00732214,0.00625027,0.00441418],[-0.00886614,-0.0151902,-0.00646626,-0.000278391]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -100.35
S298 (cal/mol*K) = -59.09
G298 (kcal/mol) = -82.74

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(309); C2H4(72), C7H11(309); C5H7(210)+C2H4(72)(+M)=>C7H11(309)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.212e+00 -4.704e-01 -2.769e-01 -1.108e-01 / CHEB/ 3.127e-01 2.027e-01 1.136e-01 3.963e-02 / CHEB/ 5.255e-02 1.204e-01 6.761e-02 2.391e-02 / CHEB/ 3.853e-02 7.569e-02 4.173e-02 1.418e-02 / CHEB/ 6.995e-03 7.322e-03 6.250e-03 4.414e-03 / CHEB/ -8.866e-03 -1.519e-02 -6.466e-03 -2.784e-04 /

3324.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+2.6	+2.8	+2.9
log₁₀(k(10 bar)/[mole,m,s])	+2.0	+2.4	+2.7	+2.9

Chebyshev(coeffs=[[8.15936,-0.463477,-0.273328,-0.109785],[0.517545,0.207224,0.116173,0.0405856],[0.138919,0.118316,0.0668656,0.0240332],[0.0687398,0.0726336,0.0404022,0.0140678],[0.0160517,0.00576013,0.00549306,0.00425428],[-0.00657705,-0.0153853,-0.00666811,-0.000432118]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -85.30
S298 (cal/mol*K) = -50.96
G298 (kcal/mol) = -70.12

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(310); C2H4(72), C7H11(310); C5H7(210)+C2H4(72)(+M)=>C7H11(310)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.159e+00 -4.635e-01 -2.733e-01 -1.098e-01 / CHEB/ 5.175e-01 2.072e-01 1.162e-01 4.059e-02 / CHEB/ 1.389e-01 1.183e-01 6.687e-02 2.403e-02 / CHEB/ 6.874e-02 7.263e-02 4.040e-02 1.407e-02 / CHEB/ 1.605e-02 5.760e-03 5.493e-03 4.254e-03 / CHEB/ -6.577e-03 -1.539e-02 -6.668e-03 -4.321e-04 /

3325.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.3	+1.9	+2.3	+2.6
log₁₀(k(10 bar)/[mole,m,s])	+1.0	+1.7	+2.2	+2.6

Chebyshev(coeffs=[[7.29334,-0.451768,-0.267325,-0.108208],[0.873767,0.21209,0.118973,0.041665],[0.263511,0.112796,0.0644271,0.0238067],[0.099505,0.0672313,0.0379461,0.0137317],[0.0198374,0.00382066,0.00450323,0.00398888],[-0.00761925,-0.0150717,-0.00670356,-0.000637444]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -74.75
S298 (cal/mol*K) = -53.59
G298 (kcal/mol) = -58.78

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(311); C2H4(72), C7H11(311); C5H7(210)+C2H4(72)(+M)=>C7H11(311)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.293e+00 -4.518e-01 -2.673e-01 -1.082e-01 / CHEB/ 8.738e-01 2.121e-01 1.190e-01 4.167e-02 / CHEB/ 2.635e-01 1.128e-01 6.443e-02 2.381e-02 / CHEB/ 9.951e-02 6.723e-02 3.795e-02 1.373e-02 / CHEB/ 1.984e-02 3.821e-03 4.503e-03 3.989e-03 / CHEB/ -7.619e-03 -1.507e-02 -6.704e-03 -6.374e-04 /

3326.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+2.2	+1.9	+1.7
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+1.9	+1.8	+1.7

Chebyshev(coeffs=[[7.92951,-0.486659,-0.285307,-0.113049],[-0.0993558,0.191316,0.107256,0.0373832],[-0.132021,0.124451,0.0689647,0.023485],[-0.0277164,0.0828118,0.0447228,0.0143128],[-0.0122639,0.0112917,0.00810021,0.00473111],[-0.0135624,-0.0144494,-0.00588336,7.4702e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -85.30
S298 (cal/mol*K) = -50.50
G298 (kcal/mol) = -70.25

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(312); C2H4(72), C7H11(312); C5H7(210)+C2H4(72)(+M)=>C7H11(312)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.930e+00 -4.867e-01 -2.853e-01 -1.130e-01 / CHEB/ -9.936e-02 1.913e-01 1.073e-01 3.738e-02 / CHEB/ -1.320e-01 1.245e-01 6.896e-02 2.348e-02 / CHEB/ -2.772e-02 8.281e-02 4.472e-02 1.431e-02 / CHEB/ -1.226e-02 1.129e-02 8.100e-03 4.731e-03 / CHEB/ -1.356e-02 -1.445e-02 -5.883e-03 7.470e-05 /

3327.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.3	+4.1	+4.0	+3.9
log₁₀(k(10 bar)/[mole,m,s])	+3.9	+3.9	+3.9	+3.8

Chebyshev(coeffs=[[9.86161,-0.480609,-0.282125,-0.112122],[0.0187716,0.196886,0.110388,0.038513],[-0.0614686,0.124205,0.069174,0.0238937],[0.00516539,0.0806283,0.043887,0.0143785],[0.00082547,0.00966123,0.00736979,0.00464132],[-0.00876583,-0.0150402,-0.00623575,-6.55491e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -74.75
S298 (cal/mol*K) = -53.59
G298 (kcal/mol) = -58.78

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(313); C2H4(72), C7H11(313); C5H7(210)+C2H4(72)(+M)=>C7H11(313)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.862e+00 -4.806e-01 -2.821e-01 -1.121e-01 / CHEB/ 1.877e-02 1.969e-01 1.104e-01 3.851e-02 / CHEB/ -6.147e-02 1.242e-01 6.917e-02 2.389e-02 / CHEB/ 5.165e-03 8.063e-02 4.389e-02 1.438e-02 / CHEB/ 8.255e-04 9.661e-03 7.370e-03 4.641e-03 / CHEB/ -8.766e-03 -1.504e-02 -6.236e-03 -6.555e-05 /

3328.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.2	+3.9	+3.5	+3.2
log₁₀(k(10 bar)/[mole,m,s])	+3.9	+3.6	+3.3	+3.1

Chebyshev(coeffs=[[9.68863,-0.492804,-0.288374,-0.113776],[-0.312943,0.187764,0.105375,0.0368056],[-0.206502,0.126858,0.0699627,0.0235037],[-0.0476434,0.0860014,0.0461028,0.0144322],[-0.0152909,0.0128976,0.00884587,0.00486195],[-0.0128222,-0.014268,-0.0057068,0.000204557]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -99.00
S298 (cal/mol*K) = -59.21
G298 (kcal/mol) = -81.36

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(314); C2H4(72), C7H11(314); C5H7(210)+C2H4(72)(+M)=>C7H11(314)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.689e+00 -4.928e-01 -2.884e-01 -1.138e-01 / CHEB/ -3.129e-01 1.878e-01 1.054e-01 3.681e-02 / CHEB/ -2.065e-01 1.269e-01 6.996e-02 2.350e-02 / CHEB/ -4.764e-02 8.600e-02 4.610e-02 1.443e-02 / CHEB/ -1.529e-02 1.290e-02 8.846e-03 4.862e-03 / CHEB/ -1.282e-02 -1.427e-02 -5.707e-03 2.046e-04 /

3329.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	-1.2	+0.0	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-3.6	-1.4	-0.1	+0.8

Chebyshev(coeffs=[[3.18616,-0.398139,-0.239454,-0.10055],[2.61795,0.218461,0.123875,0.0447606],[0.741891,0.0855437,0.0515027,0.0215674],[0.184797,0.0497778,0.0296699,0.0122385],[0.026093,0.000445554,0.00243917,0.0030896],[-0.00886266,-0.0125528,-0.00615788,-0.00125439]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.08
S298 (cal/mol*K) = -31.35
G298 (kcal/mol) = -2.74

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(315); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(315)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.186e+00 -3.981e-01 -2.395e-01 -1.005e-01 / CHEB/ 2.618e+00 2.185e-01 1.239e-01 4.476e-02 / CHEB/ 7.419e-01 8.554e-02 5.150e-02 2.157e-02 / CHEB/ 1.848e-01 4.978e-02 2.967e-02 1.224e-02 / CHEB/ 2.609e-02 4.456e-04 2.439e-03 3.090e-03 / CHEB/ -8.863e-03 -1.255e-02 -6.158e-03 -1.254e-03 /

3330.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-3.8	-1.4	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-3.9	-1.5	-0.1

Chebyshev(coeffs=[[-2.16204,-0.256179,-0.162852,-0.0767656],[7.03646,0.117176,0.0719356,0.0314969],[0.765387,0.063723,0.0394698,0.0175898],[0.196386,0.039298,0.0246894,0.0113623],[0.0206368,0.00121293,0.00201014,0.00210804],[-0.0108487,-0.00895741,-0.00491811,-0.00158623]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.80
S298 (cal/mol*K) = -19.83
G298 (kcal/mol) = 21.70

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(316); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(316)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.162e+00 -2.562e-01 -1.629e-01 -7.677e-02 / CHEB/ 7.036e+00 1.172e-01 7.194e-02 3.150e-02 / CHEB/ 7.654e-01 6.372e-02 3.947e-02 1.759e-02 / CHEB/ 1.964e-01 3.930e-02 2.469e-02 1.136e-02 / CHEB/ 2.064e-02 1.213e-03 2.010e-03 2.108e-03 / CHEB/ -1.085e-02 -8.957e-03 -4.918e-03 -1.586e-03 /

3331.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-3.7	-1.4	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-9.1	-3.8	-1.5	-0.2

Chebyshev(coeffs=[[-2.08649,-0.254986,-0.162164,-0.0765081],[6.9537,0.116238,0.0714062,0.0313093],[0.734395,0.0635965,0.0394007,0.0175677],[0.187998,0.0392408,0.0246617,0.0113571],[0.0179435,0.00121651,0.00200566,0.00209994],[-0.0118253,-0.00893371,-0.00490888,-0.00158717]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.80
S298 (cal/mol*K) = -19.37
G298 (kcal/mol) = 21.57

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(317); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(317)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.086e+00 -2.550e-01 -1.622e-01 -7.651e-02 / CHEB/ 6.954e+00 1.162e-01 7.141e-02 3.131e-02 / CHEB/ 7.344e-01 6.360e-02 3.940e-02 1.757e-02 / CHEB/ 1.880e-01 3.924e-02 2.466e-02 1.136e-02 / CHEB/ 1.794e-02 1.217e-03 2.006e-03 2.100e-03 / CHEB/ -1.183e-02 -8.934e-03 -4.909e-03 -1.587e-03 /

3332.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	-3.0	-1.2	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-7.0	-3.1	-1.2	-0.1

Chebyshev(coeffs=[[0.131661,-0.333725,-0.205704,-0.0910741],[4.63298,0.181915,0.106462,0.0417296],[0.908329,0.0679092,0.0420603,0.018723],[0.180151,0.0437944,0.0268091,0.0117032],[0.00807639,0.00109582,0.00236509,0.00264582],[-0.0138532,-0.0105229,-0.00550193,-0.0014928]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.10
S298 (cal/mol*K) = -28.08
G298 (kcal/mol) = 10.46

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(78); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(78)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.317e-01 -3.337e-01 -2.057e-01 -9.107e-02 / CHEB/ 4.633e+00 1.819e-01 1.065e-01 4.173e-02 / CHEB/ 9.083e-01 6.791e-02 4.206e-02 1.872e-02 / CHEB/ 1.802e-01 4.379e-02 2.681e-02 1.170e-02 / CHEB/ 8.076e-03 1.096e-03 2.365e-03 2.646e-03 / CHEB/ -1.385e-02 -1.052e-02 -5.502e-03 -1.493e-03 /

3333.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.6	-6.4	-3.5	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-6.5	-3.5	-1.9

Chebyshev(coeffs=[[-6.56791,-0.201561,-0.130638,-0.063932],[9.79704,0.0764245,0.0482238,0.0223723],[0.680713,0.0563796,0.0354303,0.0162779],[0.206393,0.0360278,0.0230057,0.0109336],[0.0297535,0.00156688,0.00192216,0.00178465],[-0.00817374,-0.00772784,-0.00439909,-0.00158238]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.35
S298 (cal/mol*K) = -22.46
G298 (kcal/mol) = 33.04

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(318); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(318)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.568e+00 -2.016e-01 -1.306e-01 -6.393e-02 / CHEB/ 9.797e+00 7.642e-02 4.822e-02 2.237e-02 / CHEB/ 6.807e-01 5.638e-02 3.543e-02 1.628e-02 / CHEB/ 2.064e-01 3.603e-02 2.301e-02 1.093e-02 / CHEB/ 2.975e-02 1.567e-03 1.922e-03 1.785e-03 / CHEB/ -8.174e-03 -7.728e-03 -4.399e-03 -1.582e-03 /

3334.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.6	-6.4	-3.5	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-6.5	-3.5	-1.9

H298 (kcal/mol) = 26.35
S298 (cal/mol*K) = -22.46
G298 (kcal/mol) = 33.04

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(319); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(319)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.568e+00 -2.016e-01 -1.306e-01 -6.393e-02 / CHEB/ 9.797e+00 7.642e-02 4.822e-02 2.237e-02 / CHEB/ 6.807e-01 5.638e-02 3.543e-02 1.628e-02 / CHEB/ 2.064e-01 3.603e-02 2.301e-02 1.093e-02 / CHEB/ 2.975e-02 1.567e-03 1.922e-03 1.785e-03 / CHEB/ -8.174e-03 -7.728e-03 -4.399e-03 -1.582e-03 /

3335.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.4	+4.5	+4.4	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+4.1	+4.2	+4.3	+4.3

Chebyshev(coeffs=[[10.085,-0.475914,-0.279811,-0.111608],[0.169248,0.1985,0.111221,0.0387511],[-0.0155955,0.121404,0.0678755,0.0236931],[0.0116535,0.0779612,0.0426736,0.0142035],[-0.00190744,0.0086816,0.00688906,0.00452694],[-0.0116517,-0.014872,-0.00623452,-0.000150241]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -63.43
S298 (cal/mol*K) = -59.01
G298 (kcal/mol) = -45.85

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(320); C2H4(72), C7H11(320); C5H7(210)+C2H4(72)(+M)=>C7H11(320)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.009e+01 -4.759e-01 -2.798e-01 -1.116e-01 / CHEB/ 1.692e-01 1.985e-01 1.112e-01 3.875e-02 / CHEB/ -1.560e-02 1.214e-01 6.788e-02 2.369e-02 / CHEB/ 1.165e-02 7.796e-02 4.267e-02 1.420e-02 / CHEB/ -1.907e-03 8.682e-03 6.889e-03 4.527e-03 / CHEB/ -1.165e-02 -1.487e-02 -6.235e-03 -1.502e-04 /

3336.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	-2.5	-0.5	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-2.6	-0.5	+0.6

Chebyshev(coeffs=[[-0.0420599,-0.288834,-0.181335,-0.083376],[5.69194,0.14382,0.0866298,0.0363543],[0.783914,0.0661147,0.0408061,0.0180463],[0.179679,0.0409804,0.0255004,0.0115108],[0.0150834,0.00117618,0.00216464,0.00233675],[-0.0121942,-0.00960772,-0.00516825,-0.00155672]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.73
S298 (cal/mol*K) = -20.69
G298 (kcal/mol) = 7.89

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(322); C2H4(72), CH2(T)(82); C5H7(210)+C2H4(72)(+M)=>CH2(T)(82)+C6H9(322)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.206e-02 -2.888e-01 -1.813e-01 -8.338e-02 / CHEB/ 5.692e+00 1.438e-01 8.663e-02 3.635e-02 / CHEB/ 7.839e-01 6.611e-02 4.081e-02 1.805e-02 / CHEB/ 1.797e-01 4.098e-02 2.550e-02 1.151e-02 / CHEB/ 1.508e-02 1.176e-03 2.165e-03 2.337e-03 / CHEB/ -1.219e-02 -9.608e-03 -5.168e-03 -1.557e-03 /

3337.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.8	-7.3	-4.2	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-14.9	-7.4	-4.2	-2.5

Chebyshev(coeffs=[[-7.6994,-0.194771,-0.126507,-0.0621613],[10.2301,0.0738144,0.0466931,0.0217719],[0.708973,0.05475,0.0345136,0.0159594],[0.220711,0.0349886,0.0224155,0.0107222],[0.0399667,0.00134093,0.0017484,0.00167569],[-0.00496743,-0.00759119,-0.00435169,-0.00159667]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.55
S298 (cal/mol*K) = -25.80
G298 (kcal/mol) = 35.23

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(323); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(323)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.699e+00 -1.948e-01 -1.265e-01 -6.216e-02 / CHEB/ 1.023e+01 7.381e-02 4.669e-02 2.177e-02 / CHEB/ 7.090e-01 5.475e-02 3.451e-02 1.596e-02 / CHEB/ 2.207e-01 3.499e-02 2.242e-02 1.072e-02 / CHEB/ 3.997e-02 1.341e-03 1.748e-03 1.676e-03 / CHEB/ -4.967e-03 -7.591e-03 -4.352e-03 -1.597e-03 /

3340.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	+0.4	+1.9	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-3.3	+0.1	+1.8	+2.6

Chebyshev(coeffs=[[3.81763,-0.776688,-0.318645,-0.0709656],[3.93662,0.55457,0.144289,-0.00575374],[0.785998,0.115674,0.101653,0.032128],[0.120948,0.0575329,0.0377022,0.0224363],[-0.00730058,0.00863013,0.00190762,0.00211688],[-0.0257351,-0.0134995,-0.00528193,-0.00177839]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.24
S298 (cal/mol*K) = -15.28
G298 (kcal/mol) = -3.68

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(549); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(549)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.818e+00 -7.767e-01 -3.186e-01 -7.097e-02 / CHEB/ 3.937e+00 5.546e-01 1.443e-01 -5.754e-03 / CHEB/ 7.860e-01 1.157e-01 1.017e-01 3.213e-02 / CHEB/ 1.209e-01 5.753e-02 3.770e-02 2.244e-02 / CHEB/ -7.301e-03 8.630e-03 1.908e-03 2.117e-03 / CHEB/ -2.574e-02 -1.350e-02 -5.282e-03 -1.778e-03 /

3341.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+3.8	+4.3	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+3.4	+4.1	+4.4

Chebyshev(coeffs=[[8.7302,-0.974377,-0.351947,-0.0570819],[1.29469,0.583175,0.105085,-0.0207613],[0.322142,0.194502,0.119559,0.0151988],[0.0710041,0.0972703,0.0554617,0.019872],[-0.0144844,0.0146646,0.00590149,0.00519061],[-0.0312829,-0.0164323,-0.00455625,0.000286836]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.86
S298 (cal/mol*K) = -3.32
G298 (kcal/mol) = -30.87

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H4(550); C2H4(72), C3H7(433); C5H7(210)+C2H4(72)(+M)=>C3H7(433)+C4H4(550)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.730e+00 -9.744e-01 -3.519e-01 -5.708e-02 / CHEB/ 1.295e+00 5.832e-01 1.051e-01 -2.076e-02 / CHEB/ 3.221e-01 1.945e-01 1.196e-01 1.520e-02 / CHEB/ 7.100e-02 9.727e-02 5.546e-02 1.987e-02 / CHEB/ -1.448e-02 1.466e-02 5.901e-03 5.191e-03 / CHEB/ -3.128e-02 -1.643e-02 -4.556e-03 2.868e-04 /

3342.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+2.8	+4.1	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-0.5	+2.6	+4.0	+4.7

Chebyshev(coeffs=[[6.40858,-0.50255,-0.26894,-0.0948613],[3.54407,0.314781,0.15317,0.0427935],[0.667851,0.0789598,0.0459754,0.019648],[0.0872434,0.0631099,0.033878,0.0105713],[-0.024353,0.00504932,0.00566674,0.00375986],[-0.0325705,-0.0155829,-0.00702397,-0.00116771]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.30
S298 (cal/mol*K) = 0.05
G298 (kcal/mol) = -1.31

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H6(551); C2H4(72), C2H5(421); C5H7(210)+C2H4(72)(+M)=>C5H6(551)+C2H5(421)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.409e+00 -5.025e-01 -2.689e-01 -9.486e-02 / CHEB/ 3.544e+00 3.148e-01 1.532e-01 4.279e-02 / CHEB/ 6.679e-01 7.896e-02 4.598e-02 1.965e-02 / CHEB/ 8.724e-02 6.311e-02 3.388e-02 1.057e-02 / CHEB/ -2.435e-02 5.049e-03 5.667e-03 3.760e-03 / CHEB/ -3.257e-02 -1.558e-02 -7.024e-03 -1.168e-03 /

3343.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-1.4	+0.9	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-1.6	+0.9	+2.1

Chebyshev(coeffs=[[-0.858997,-0.358527,-0.198825,-0.0768219],[8.36589,0.210164,0.105223,0.0347551],[0.49834,0.0672511,0.0396724,0.0150466],[0.0906637,0.0515664,0.0302066,0.0115672],[-0.0215646,0.00305693,0.00358971,0.00303108],[-0.0302944,-0.0130086,-0.00654474,-0.00173]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.34
S298 (cal/mol*K) = -0.87
G298 (kcal/mol) = 21.59

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(552); C2H4(72), CH3(425); C5H7(210)+C2H4(72)(+M)=>C6H8(552)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.590e-01 -3.585e-01 -1.988e-01 -7.682e-02 / CHEB/ 8.366e+00 2.102e-01 1.052e-01 3.476e-02 / CHEB/ 4.983e-01 6.725e-02 3.967e-02 1.505e-02 / CHEB/ 9.066e-02 5.157e-02 3.021e-02 1.157e-02 / CHEB/ -2.156e-02 3.057e-03 3.590e-03 3.031e-03 / CHEB/ -3.029e-02 -1.301e-02 -6.545e-03 -1.730e-03 /

3344.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.7	-4.3	-0.9	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-4.5	-1.0	+0.9

Chebyshev(coeffs=[[-5.6781,-0.437824,-0.231494,-0.0781114],[11.6255,0.221488,0.0999069,0.0243503],[0.711764,0.121223,0.0660544,0.018575],[0.218592,0.0693889,0.041016,0.0161392],[0.0382142,0.00168056,0.00442246,0.0054049],[-0.0080377,-0.0176857,-0.00811723,-0.00132089]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.97
S298 (cal/mol*K) = -8.68
G298 (kcal/mol) = 33.55

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(116); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(116)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.678e+00 -4.378e-01 -2.315e-01 -7.811e-02 / CHEB/ 1.163e+01 2.215e-01 9.991e-02 2.435e-02 / CHEB/ 7.118e-01 1.212e-01 6.605e-02 1.857e-02 / CHEB/ 2.186e-01 6.939e-02 4.102e-02 1.614e-02 / CHEB/ 3.821e-02 1.681e-03 4.422e-03 5.405e-03 / CHEB/ -8.038e-03 -1.769e-02 -8.117e-03 -1.321e-03 /

3345.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	+0.7	+2.5	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+0.5	+2.4	+3.4

Chebyshev(coeffs=[[2.70076,-0.621306,-0.286435,-0.0704585],[6.0926,0.430767,0.1471,0.00370559],[0.569834,0.0918491,0.0756677,0.031948],[0.0890804,0.0573012,0.0328582,0.0161222],[-0.018241,0.00729734,0.00257194,0.000571207],[-0.0291596,-0.0147986,-0.00635784,-0.00150176]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.81
S298 (cal/mol*K) = 2.28
G298 (kcal/mol) = 11.13

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H4(553); C2H4(72), C3H7(433); C5H7(210)+C2H4(72)(+M)=>C4H4(553)+C3H7(433)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.701e+00 -6.213e-01 -2.864e-01 -7.046e-02 / CHEB/ 6.093e+00 4.308e-01 1.471e-01 3.706e-03 / CHEB/ 5.698e-01 9.185e-02 7.567e-02 3.195e-02 / CHEB/ 8.908e-02 5.730e-02 3.286e-02 1.612e-02 / CHEB/ -1.824e-02 7.297e-03 2.572e-03 5.712e-04 / CHEB/ -2.916e-02 -1.480e-02 -6.358e-03 -1.502e-03 /

3346.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-2.8	-0.4	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-9.6	-3.0	-0.5	+0.9

Chebyshev(coeffs=[[-2.45732,-0.541356,-0.275187,-0.0822141],[8.63793,0.383374,0.156128,0.016911],[0.596426,0.0741738,0.0651456,0.0367146],[0.112684,0.0487529,0.0286904,0.0141469],[-0.00512021,0.0095526,0.00391882,0.00021581],[-0.0226124,-0.0118417,-0.00534996,-0.00117481]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.71
S298 (cal/mol*K) = -10.79
G298 (kcal/mol) = 23.92

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(554); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(554)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.457e+00 -5.414e-01 -2.752e-01 -8.221e-02 / CHEB/ 8.638e+00 3.834e-01 1.561e-01 1.691e-02 / CHEB/ 5.964e-01 7.417e-02 6.515e-02 3.671e-02 / CHEB/ 1.127e-01 4.875e-02 2.869e-02 1.415e-02 / CHEB/ -5.120e-03 9.553e-03 3.919e-03 2.158e-04 / CHEB/ -2.261e-02 -1.184e-02 -5.350e-03 -1.175e-03 /

3347.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.7	-5.7	-1.8	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-15.9	-5.8	-1.8	+0.2

Chebyshev(coeffs=[[-8.43506,-0.261962,-0.152367,-0.0628105],[13.7855,0.149887,0.0799279,0.0286946],[0.709052,0.0541098,0.0331856,0.013313],[0.172843,0.0414754,0.0253461,0.0110938],[0.0150479,0.0011684,0.00188876,0.00200009],[-0.0142784,-0.0110559,-0.00599343,-0.00201928]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.29
S298 (cal/mol*K) = -10.51
G298 (kcal/mol) = 41.42

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(555); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(555)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.435e+00 -2.620e-01 -1.524e-01 -6.281e-02 / CHEB/ 1.379e+01 1.499e-01 7.993e-02 2.869e-02 / CHEB/ 7.091e-01 5.411e-02 3.319e-02 1.331e-02 / CHEB/ 1.728e-01 4.148e-02 2.535e-02 1.109e-02 / CHEB/ 1.505e-02 1.168e-03 1.889e-03 2.000e-03 / CHEB/ -1.428e-02 -1.106e-02 -5.993e-03 -2.019e-03 /

3348.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.3	+4.0	+4.3	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+2.9	+3.7	+4.2	+4.4

Chebyshev(coeffs=[[9.22094,-0.598184,-0.315724,-0.105462],[0.869639,0.328678,0.156908,0.0388917],[0.267846,0.112415,0.062615,0.0241839],[0.0718549,0.0817085,0.0411657,0.0115544],[-0.0142973,0.00956238,0.00781591,0.00429118],[-0.0295587,-0.0175213,-0.00698599,-0.000328812]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -59.76
S298 (cal/mol*K) = -47.77
G298 (kcal/mol) = -45.53

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(556); C2H4(72), C7H11(556); C5H7(210)+C2H4(72)(+M)=>C7H11(556)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.221e+00 -5.982e-01 -3.157e-01 -1.055e-01 / CHEB/ 8.696e-01 3.287e-01 1.569e-01 3.889e-02 / CHEB/ 2.678e-01 1.124e-01 6.261e-02 2.418e-02 / CHEB/ 7.185e-02 8.171e-02 4.117e-02 1.155e-02 / CHEB/ -1.430e-02 9.562e-03 7.816e-03 4.291e-03 / CHEB/ -2.956e-02 -1.752e-02 -6.986e-03 -3.288e-04 /

3349.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.5	-6.7	-3.1	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-16.7	-6.8	-3.2	-1.4

Chebyshev(coeffs=[[-9.50404,-0.252701,-0.148221,-0.061725],[13.65,0.134862,0.0727214,0.0264131],[0.405392,0.054823,0.0332166,0.0132319],[0.0974882,0.0424683,0.0258452,0.0112406],[-0.00661244,0.00221061,0.00239434,0.00208031],[-0.0218453,-0.0105721,-0.00571706,-0.00191219]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.99
S298 (cal/mol*K) = -5.46
G298 (kcal/mol) = 41.61

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(557); C2H4(72), CH2(137); C5H7(210)+C2H4(72)(+M)=>CH2(137)+C6H9(557)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.504e+00 -2.527e-01 -1.482e-01 -6.173e-02 / CHEB/ 1.365e+01 1.349e-01 7.272e-02 2.641e-02 / CHEB/ 4.054e-01 5.482e-02 3.322e-02 1.323e-02 / CHEB/ 9.749e-02 4.247e-02 2.585e-02 1.124e-02 / CHEB/ -6.612e-03 2.211e-03 2.394e-03 2.080e-03 / CHEB/ -2.185e-02 -1.057e-02 -5.717e-03 -1.912e-03 /

3350.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.9	-13.1	-6.8	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-32.0	-13.2	-6.8	-3.7

Chebyshev(coeffs=[[-24.3608,-0.0850594,-0.056553,-0.0290202],[26.5994,0.0275789,0.0181534,0.00914938],[0.0881014,0.0279859,0.0183582,0.00918161],[0.024741,0.0202926,0.0132628,0.00659432],[-0.00839541,0.000911481,0.000709763,0.000461961],[-0.0133799,-0.00502871,-0.00315063,-0.001438]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.30
S298 (cal/mol*K) = 3.70
G298 (kcal/mol) = 75.20

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(558); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C2H3(100)+C5H8(558)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.436e+01 -8.506e-02 -5.655e-02 -2.902e-02 / CHEB/ 2.660e+01 2.758e-02 1.815e-02 9.149e-03 / CHEB/ 8.810e-02 2.799e-02 1.836e-02 9.182e-03 / CHEB/ 2.474e-02 2.029e-02 1.326e-02 6.594e-03 / CHEB/ -8.395e-03 9.115e-04 7.098e-04 4.620e-04 / CHEB/ -1.338e-02 -5.029e-03 -3.151e-03 -1.438e-03 /

3351.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.6	+1.5	+2.6	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-0.9	+1.2	+2.5	+3.2

Chebyshev(coeffs=[[5.89237,-0.554812,-0.294247,-0.100296],[2.4453,0.338387,0.163187,0.0425711],[0.684793,0.0951593,0.0545178,0.0227294],[0.148432,0.0690408,0.0358028,0.0106565],[-0.00233057,0.00568535,0.00607324,0.00381902],[-0.0264101,-0.0169533,-0.00717616,-0.000848729]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.69
S298 (cal/mol*K) = -39.89
G298 (kcal/mol) = -56.81

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(559); C2H4(72), C7H11(559); C5H7(210)+C2H4(72)(+M)=>C7H11(559)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.892e+00 -5.548e-01 -2.942e-01 -1.003e-01 / CHEB/ 2.445e+00 3.384e-01 1.632e-01 4.257e-02 / CHEB/ 6.848e-01 9.516e-02 5.452e-02 2.273e-02 / CHEB/ 1.484e-01 6.904e-02 3.580e-02 1.066e-02 / CHEB/ -2.331e-03 5.685e-03 6.073e-03 3.819e-03 / CHEB/ -2.641e-02 -1.695e-02 -7.176e-03 -8.487e-04 /

3352.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	-2.5	-0.8	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-2.7	-0.9	+0.2

Chebyshev(coeffs=[[1.06595,-0.514233,-0.274155,-0.095385],[3.93052,0.336091,0.163515,0.0448425],[0.986406,0.0810009,0.047629,0.0208709],[0.198202,0.0611875,0.0327493,0.0101723],[0.0105252,0.00328876,0.00493172,0.00357905],[-0.0206951,-0.0165509,-0.0074187,-0.00121028]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.49
S298 (cal/mol*K) = -39.01
G298 (kcal/mol) = -56.87

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(560); C2H4(72), C7H11(560); C5H7(210)+C2H4(72)(+M)=>C7H11(560)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.066e+00 -5.142e-01 -2.742e-01 -9.538e-02 / CHEB/ 3.931e+00 3.361e-01 1.635e-01 4.484e-02 / CHEB/ 9.864e-01 8.100e-02 4.763e-02 2.087e-02 / CHEB/ 1.982e-01 6.119e-02 3.275e-02 1.017e-02 / CHEB/ 1.053e-02 3.289e-03 4.932e-03 3.579e-03 / CHEB/ -2.070e-02 -1.655e-02 -7.419e-03 -1.210e-03 /

3353.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.0	+4.6	+4.9	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+3.6	+4.3	+4.8	+5.0

Chebyshev(coeffs=[[9.89061,-0.600944,-0.317011,-0.10567],[0.822852,0.329363,0.15724,0.0389286],[0.266331,0.114792,0.0638239,0.0244935],[0.0865853,0.0830097,0.0417731,0.011694],[-0.00331195,0.00971202,0.00789263,0.00432608],[-0.025642,-0.0178331,-0.00709518,-0.000313728]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.06
S298 (cal/mol*K) = -34.99
G298 (kcal/mol) = -45.64

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(562); C2H4(72), C7H11(562); C5H7(210)+C2H4(72)(+M)=>C7H11(562)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.891e+00 -6.009e-01 -3.170e-01 -1.057e-01 / CHEB/ 8.229e-01 3.294e-01 1.572e-01 3.893e-02 / CHEB/ 2.663e-01 1.148e-01 6.382e-02 2.449e-02 / CHEB/ 8.659e-02 8.301e-02 4.177e-02 1.169e-02 / CHEB/ -3.312e-03 9.712e-03 7.893e-03 4.326e-03 / CHEB/ -2.564e-02 -1.783e-02 -7.095e-03 -3.137e-04 /

3354.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.6	+0.1	+0.5	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-1.0	-0.2	+0.4	+0.6

Chebyshev(coeffs=[[5.36142,-0.598829,-0.31599,-0.105459],[0.895607,0.329627,0.157411,0.0390394],[0.282909,0.11353,0.0632075,0.0243652],[0.0862617,0.0821396,0.0413814,0.0116186],[-0.00550851,0.00951758,0.00780189,0.00429664],[-0.0267389,-0.0177139,-0.00706448,-0.000336621]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -53.41
S298 (cal/mol*K) = -36.70
G298 (kcal/mol) = -42.48

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(563); C2H4(72), C7H11(563); C5H7(210)+C2H4(72)(+M)=>C7H11(563)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.361e+00 -5.988e-01 -3.160e-01 -1.055e-01 / CHEB/ 8.956e-01 3.296e-01 1.574e-01 3.904e-02 / CHEB/ 2.829e-01 1.135e-01 6.321e-02 2.437e-02 / CHEB/ 8.626e-02 8.214e-02 4.138e-02 1.162e-02 / CHEB/ -5.509e-03 9.518e-03 7.802e-03 4.297e-03 / CHEB/ -2.674e-02 -1.771e-02 -7.064e-03 -3.366e-04 /

3355.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+2.6	+2.8	+2.9
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+2.3	+2.7	+2.9

Chebyshev(coeffs=[[7.95316,-0.597,-0.315289,-0.105334],[0.670104,0.328964,0.157285,0.0390989],[0.219101,0.115954,0.0645317,0.0246831],[0.0740582,0.0829649,0.041879,0.0118186],[-0.00434908,0.00912096,0.00760191,0.00428515],[-0.024982,-0.0183054,-0.00733895,-0.000360994]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -42.58
S298 (cal/mol*K) = -44.94
G298 (kcal/mol) = -29.19

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(564); C2H4(72), C7H11(564); C5H7(210)+C2H4(72)(+M)=>C7H11(564)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.953e+00 -5.970e-01 -3.153e-01 -1.053e-01 / CHEB/ 6.701e-01 3.290e-01 1.573e-01 3.910e-02 / CHEB/ 2.191e-01 1.160e-01 6.453e-02 2.468e-02 / CHEB/ 7.406e-02 8.296e-02 4.188e-02 1.182e-02 / CHEB/ -4.349e-03 9.121e-03 7.602e-03 4.285e-03 / CHEB/ -2.498e-02 -1.831e-02 -7.339e-03 -3.610e-04 /

3356.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.2	-5.8	-2.0	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-16.4	-5.9	-2.1	-0.2

Chebyshev(coeffs=[[-9.15654,-0.238082,-0.141055,-0.0595552],[14.513,0.124899,0.0683674,0.0252656],[0.394504,0.0527934,0.0321296,0.0130512],[0.0974879,0.0409639,0.0250714,0.0110523],[-0.00459012,0.0021126,0.00222887,0.00190522],[-0.0204643,-0.010178,-0.00556579,-0.0019087]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.45
S298 (cal/mol*K) = -3.13
G298 (kcal/mol) = 35.38

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(565); C2H4(72), CH2(T)(82); C5H7(210)+C2H4(72)(+M)=>C6H9(565)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.157e+00 -2.381e-01 -1.411e-01 -5.956e-02 / CHEB/ 1.451e+01 1.249e-01 6.837e-02 2.527e-02 / CHEB/ 3.945e-01 5.279e-02 3.213e-02 1.305e-02 / CHEB/ 9.749e-02 4.096e-02 2.507e-02 1.105e-02 / CHEB/ -4.590e-03 2.113e-03 2.229e-03 1.905e-03 / CHEB/ -2.046e-02 -1.018e-02 -5.566e-03 -1.909e-03 /

3357.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.5	-12.4	-4.5	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-36.7	-12.5	-4.5	-0.6

Chebyshev(coeffs=[[-28.6245,-0.20748,-0.127036,-0.0553865],[34.0628,0.128006,0.0725124,0.0259248],[0.0249421,0.0429675,0.0262718,0.0113765],[-0.0429276,-0.0126939,-0.00498246,0.000470239],[-0.0405537,-0.0020244,-0.00159529,-0.000986754],[-0.02746,-0.000194005,-0.000568664,-0.000665368]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 107.26
S298 (cal/mol*K) = 24.41
G298 (kcal/mol) = 99.98

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(529); C2H4(115), CH2(137); C2H4(115)+C5H6(62)(+M)=>CH2(137)+C6H8(529)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.862e+01 -2.075e-01 -1.270e-01 -5.539e-02 / CHEB/ 3.406e+01 1.280e-01 7.251e-02 2.592e-02 / CHEB/ 2.494e-02 4.297e-02 2.627e-02 1.138e-02 / CHEB/ -4.293e-02 -1.269e-02 -4.982e-03 4.702e-04 / CHEB/ -4.055e-02 -2.024e-03 -1.595e-03 -9.868e-04 / CHEB/ -2.746e-02 -1.940e-04 -5.687e-04 -6.654e-04 /

3358.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.6	+0.9	+3.7	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-7.3	+0.6	+3.6	+5.0

Chebyshev(coeffs=[[0.293041,-0.970139,-0.229946,-0.0315597],[10.114,0.65628,0.0303768,-0.024736],[0.557555,0.191876,0.0639116,-0.00991192],[0.0846147,-0.00697976,0.0370987,0.00823861],[-0.00318682,-0.0274315,0.00718427,0.0107787],[-0.0100467,-0.0107715,-0.00464172,0.00429328]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.83
S298 (cal/mol*K) = -40.33
G298 (kcal/mol) = -44.82

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(530); C5H6(62), C7H10(530); C2H4(115)+C5H6(62)(+M)=>C7H10(530)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.930e-01 -9.701e-01 -2.299e-01 -3.156e-02 / CHEB/ 1.011e+01 6.563e-01 3.038e-02 -2.474e-02 / CHEB/ 5.576e-01 1.919e-01 6.391e-02 -9.912e-03 / CHEB/ 8.461e-02 -6.980e-03 3.710e-02 8.239e-03 / CHEB/ -3.187e-03 -2.743e-02 7.184e-03 1.078e-02 / CHEB/ -1.005e-02 -1.077e-02 -4.642e-03 4.293e-03 /

3359.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.4	+1.7	+1.5	+1.3
log₁₀(k(10 bar)/[mole,m,s])	+1.5	+2.1	+2.3	+2.2

Chebyshev(coeffs=[[6.92475,0.808026,-0.574875,-0.149393],[0.249946,0.582462,0.25792,0.0461134],[0.146538,0.280133,0.131937,0.0322341],[-0.0304424,0.165536,0.0744616,0.0148206],[-0.0794435,0.0104047,0.0108494,0.00798011],[-0.0419791,-0.0357387,-0.0133063,0.000955178]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -71.60
S298 (cal/mol*K) = -48.04
G298 (kcal/mol) = -57.29

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(469); C2H4(72), C7H11(469); C5H7(210)+C2H4(72)(+M)=>C7H11(469)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.925e+00 8.080e-01 -5.749e-01 -1.494e-01 / CHEB/ 2.499e-01 5.825e-01 2.579e-01 4.611e-02 / CHEB/ 1.465e-01 2.801e-01 1.319e-01 3.223e-02 / CHEB/ -3.044e-02 1.655e-01 7.446e-02 1.482e-02 / CHEB/ -7.944e-02 1.040e-02 1.085e-02 7.980e-03 / CHEB/ -4.198e-02 -3.574e-02 -1.331e-02 9.552e-04 /

3360.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	-1.4	-0.5	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-3.6	-1.8	-0.7	+0.0

Chebyshev(coeffs=[[3.2736,-1.07602,-0.523982,-0.141231],[1.89883,0.642744,0.287613,0.0568342],[0.628305,0.246605,0.12029,0.033511],[0.203397,0.126025,0.0601378,0.0135728],[0.021206,-0.0074541,0.00343104,0.00589371],[-0.0227047,-0.0376507,-0.0149451,-0.000882206]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -80.09
S298 (cal/mol*K) = -49.75
G298 (kcal/mol) = -65.27

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(612); C2H4(72), C7H11(612); C5H7(210)+C2H4(72)(+M)=>C7H11(612)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.274e+00 -1.076e+00 -5.240e-01 -1.412e-01 / CHEB/ 1.899e+00 6.427e-01 2.876e-01 5.683e-02 / CHEB/ 6.283e-01 2.466e-01 1.203e-01 3.351e-02 / CHEB/ 2.034e-01 1.260e-01 6.014e-02 1.357e-02 / CHEB/ 2.121e-02 -7.454e-03 3.431e-03 5.894e-03 / CHEB/ -2.270e-02 -3.765e-02 -1.495e-02 -8.822e-04 /

3361.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.0	+3.9	+4.6	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+3.4	+4.4	+5.0

Chebyshev(coeffs=[[8.85724,-1.09868,-0.533614,-0.142375],[1.40055,0.64059,0.286313,0.0556731],[0.523132,0.258143,0.124891,0.0339458],[0.200916,0.133069,0.0626041,0.0138343],[0.0279384,-0.00599919,0.00407422,0.00609738],[-0.0203908,-0.0384639,-0.0150353,-0.000704978]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -33.87
S298 (cal/mol*K) = -4.55
G298 (kcal/mol) = -32.52

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H5(99); C2H4(72), C3H6(613); C5H7(210)+C2H4(72)(+M)=>C4H5(99)+C3H6(613)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.857e+00 -1.099e+00 -5.336e-01 -1.424e-01 / CHEB/ 1.401e+00 6.406e-01 2.863e-01 5.567e-02 / CHEB/ 5.231e-01 2.581e-01 1.249e-01 3.395e-02 / CHEB/ 2.009e-01 1.331e-01 6.260e-02 1.383e-02 / CHEB/ 2.794e-02 -5.999e-03 4.074e-03 6.097e-03 / CHEB/ -2.039e-02 -3.846e-02 -1.504e-02 -7.050e-04 /

3362.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-2.3	+0.8	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-2.6	+0.7	+2.5

Chebyshev(coeffs=[[-3.63653,-0.591024,-0.319008,-0.112776],[11.3353,0.359576,0.174553,0.0515069],[0.588153,0.15208,0.0888953,0.0302918],[0.18946,0.07251,0.0428841,0.0172484],[0.0193433,-0.0130477,-0.00488368,0.00131817],[-0.0179818,-0.0259224,-0.0132935,-0.00379967]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.49
S298 (cal/mol*K) = 5.44
G298 (kcal/mol) = 29.87

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H5(99); C2H4(72), C3H6(614); C5H7(210)+C2H4(72)(+M)=>C4H5(99)+C3H6(614)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.637e+00 -5.910e-01 -3.190e-01 -1.128e-01 / CHEB/ 1.134e+01 3.596e-01 1.746e-01 5.151e-02 / CHEB/ 5.882e-01 1.521e-01 8.890e-02 3.029e-02 / CHEB/ 1.895e-01 7.251e-02 4.288e-02 1.725e-02 / CHEB/ 1.934e-02 -1.305e-02 -4.884e-03 1.318e-03 / CHEB/ -1.798e-02 -2.592e-02 -1.329e-02 -3.800e-03 /

3363.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	-4.7	-0.6	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-4.8	-0.6	+1.5

Chebyshev(coeffs=[[-8.95164,-0.412797,-0.2403,-0.0959626],[15.9347,0.237865,0.126986,0.0419445],[0.398385,0.113145,0.0710815,0.0309446],[0.14768,0.0563887,0.0344932,0.0153898],[0.0182456,-0.00840945,-0.00439118,-0.00103925],[-0.0147029,-0.0195647,-0.0107751,-0.00372156]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.32
S298 (cal/mol*K) = 8.43
G298 (kcal/mol) = 45.81

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(615); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C2H3(100)+C5H8(615)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.952e+00 -4.128e-01 -2.403e-01 -9.596e-02 / CHEB/ 1.593e+01 2.379e-01 1.270e-01 4.194e-02 / CHEB/ 3.984e-01 1.131e-01 7.108e-02 3.094e-02 / CHEB/ 1.477e-01 5.639e-02 3.449e-02 1.539e-02 / CHEB/ 1.825e-02 -8.409e-03 -4.391e-03 -1.039e-03 / CHEB/ -1.470e-02 -1.956e-02 -1.078e-02 -3.722e-03 /

3364.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-4.2	-0.9	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-4.4	-1.0	+0.9

Chebyshev(coeffs=[[-5.56878,-0.5581,-0.307682,-0.109854],[11.5631,0.385586,0.191077,0.0509377],[0.648751,0.0732296,0.0544507,0.0297817],[0.21298,0.0646129,0.0349203,0.0118897],[0.0512167,0.0126913,0.00786554,0.00338432],[-0.00133143,-0.0157054,-0.00719708,-0.00119795]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.97
S298 (cal/mol*K) = -8.68
G298 (kcal/mol) = 33.55

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(118); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(118)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.569e+00 -5.581e-01 -3.077e-01 -1.099e-01 / CHEB/ 1.156e+01 3.856e-01 1.911e-01 5.094e-02 / CHEB/ 6.488e-01 7.323e-02 5.445e-02 2.978e-02 / CHEB/ 2.130e-01 6.461e-02 3.492e-02 1.189e-02 / CHEB/ 5.122e-02 1.269e-02 7.866e-03 3.384e-03 / CHEB/ -1.331e-03 -1.571e-02 -7.197e-03 -1.198e-03 /

3365.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.9	-6.4	-2.4	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-17.3	-6.6	-2.5	-0.2

Chebyshev(coeffs=[[-9.85404,-0.484265,-0.272895,-0.10315],[14.7232,0.28614,0.146385,0.0455582],[0.642638,0.12967,0.0791543,0.0312168],[0.215926,0.0629757,0.0380854,0.0165908],[0.0357672,-0.0105484,-0.00487904,-0.000319255],[-0.0101357,-0.0221963,-0.0119082,-0.00389538]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.37
S298 (cal/mol*K) = -8.00
G298 (kcal/mol) = 44.75

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(120); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(120)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.854e+00 -4.843e-01 -2.729e-01 -1.031e-01 / CHEB/ 1.472e+01 2.861e-01 1.464e-01 4.556e-02 / CHEB/ 6.426e-01 1.297e-01 7.915e-02 3.122e-02 / CHEB/ 2.159e-01 6.298e-02 3.809e-02 1.659e-02 / CHEB/ 3.577e-02 -1.055e-02 -4.879e-03 -3.193e-04 / CHEB/ -1.014e-02 -2.220e-02 -1.191e-02 -3.895e-03 /

3366.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+2.8	+3.3	+3.6
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+2.3	+3.1	+3.5

Chebyshev(coeffs=[[7.88068,-1.11776,-0.542033,-0.143782],[1.06067,0.630438,0.281255,0.0538362],[0.398396,0.263569,0.126665,0.03369],[0.16875,0.139522,0.06483,0.0139675],[0.0209085,-0.00303891,0.00522627,0.00633871],[-0.0224452,-0.0380661,-0.0147644,-0.000504214]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.29
S298 (cal/mol*K) = -44.53
G298 (kcal/mol) = -48.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(616); C2H4(72), C7H11(616); C5H7(210)+C2H4(72)(+M)=>C7H11(616)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.881e+00 -1.118e+00 -5.420e-01 -1.438e-01 / CHEB/ 1.061e+00 6.304e-01 2.813e-01 5.384e-02 / CHEB/ 3.984e-01 2.636e-01 1.267e-01 3.369e-02 / CHEB/ 1.687e-01 1.395e-01 6.483e-02 1.397e-02 / CHEB/ 2.091e-02 -3.039e-03 5.226e-03 6.339e-03 / CHEB/ -2.245e-02 -3.807e-02 -1.476e-02 -5.042e-04 /

3367.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+3.5	+3.5	+3.4
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+2.9	+3.2	+3.4

Chebyshev(coeffs=[[9.086,-1.15972,-0.560409,-0.146691],[0.0860996,0.608179,0.270396,0.0500304],[0.0843848,0.276897,0.131453,0.0333364],[0.0967321,0.155184,0.0706255,0.0145452],[0.0120201,0.00390315,0.00808695,0.00714051],[-0.0226833,-0.0375161,-0.0142683,0.000137139]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -99.00
S298 (cal/mol*K) = -59.21
G298 (kcal/mol) = -81.36

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(489); C2H4(72), C7H11(489); C5H7(210)+C2H4(72)(+M)=>C7H11(489)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.086e+00 -1.160e+00 -5.604e-01 -1.467e-01 / CHEB/ 8.610e-02 6.082e-01 2.704e-01 5.003e-02 / CHEB/ 8.438e-02 2.769e-01 1.315e-01 3.334e-02 / CHEB/ 9.673e-02 1.552e-01 7.063e-02 1.455e-02 / CHEB/ 1.202e-02 3.903e-03 8.087e-03 7.141e-03 / CHEB/ -2.268e-02 -3.752e-02 -1.427e-02 1.371e-04 /

3368.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+2.9	+3.4	+3.7
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+2.4	+3.2	+3.6

Chebyshev(coeffs=[[8.21158,-1.10848,-0.533946,-0.138259],[0.84181,0.65066,0.294267,0.0599387],[0.352671,0.272804,0.130555,0.033988],[0.170496,0.136926,0.0614496,0.0111333],[0.0289196,-0.00907216,0.00110586,0.00419032],[-0.0165994,-0.0419682,-0.0165651,-0.000836068]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.63
S298 (cal/mol*K) = -41.62
G298 (kcal/mol) = -44.23

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(617); C2H4(72), C7H11(617); C5H7(210)+C2H4(72)(+M)=>C7H11(617)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.212e+00 -1.108e+00 -5.339e-01 -1.383e-01 / CHEB/ 8.418e-01 6.507e-01 2.943e-01 5.994e-02 / CHEB/ 3.527e-01 2.728e-01 1.306e-01 3.399e-02 / CHEB/ 1.705e-01 1.369e-01 6.145e-02 1.113e-02 / CHEB/ 2.892e-02 -9.072e-03 1.106e-03 4.190e-03 / CHEB/ -1.660e-02 -4.197e-02 -1.657e-02 -8.361e-04 /

3369.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.2	-1.3	+1.3	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-1.6	+1.2	+2.7

Chebyshev(coeffs=[[-0.454967,-0.765509,-0.392433,-0.126028],[8.06044,0.484047,0.223924,0.0599026],[0.865167,0.180752,0.0979736,0.0290963],[0.237629,0.0869029,0.0492454,0.0161532],[0.0257995,-0.0144114,-0.00309215,0.00376914],[-0.0174635,-0.0310388,-0.0148198,-0.00288235]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.10
S298 (cal/mol*K) = -3.27
G298 (kcal/mol) = 10.07

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H7(210); C2H4(72), C2H4(603); C5H7(210)+C2H4(72)(+M)=>C5H7(210)+C2H4(603)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.550e-01 -7.655e-01 -3.924e-01 -1.260e-01 / CHEB/ 8.060e+00 4.840e-01 2.239e-01 5.990e-02 / CHEB/ 8.652e-01 1.808e-01 9.797e-02 2.910e-02 / CHEB/ 2.376e-01 8.690e-02 4.925e-02 1.615e-02 / CHEB/ 2.580e-02 -1.441e-02 -3.092e-03 3.769e-03 / CHEB/ -1.746e-02 -3.104e-02 -1.482e-02 -2.882e-03 /

3370.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.5	-5.4	-1.5	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-5.6	-1.5	+0.6

Chebyshev(coeffs=[[-8.44011,-0.503053,-0.281197,-0.104926],[14.1628,0.298928,0.151366,0.0465741],[0.646478,0.133841,0.0810804,0.0311233],[0.215679,0.0646873,0.0389789,0.0168088],[0.034322,-0.0110612,-0.00493987,-6.189e-05],[-0.0110417,-0.022874,-0.0121808,-0.00391351]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.74
S298 (cal/mol*K) = -2.81
G298 (kcal/mol) = 32.57

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(618); C2H4(72), CH3(425); C5H7(210)+C2H4(72)(+M)=>C6H8(618)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.440e+00 -5.031e-01 -2.812e-01 -1.049e-01 / CHEB/ 1.416e+01 2.989e-01 1.514e-01 4.657e-02 / CHEB/ 6.465e-01 1.338e-01 8.108e-02 3.112e-02 / CHEB/ 2.157e-01 6.469e-02 3.898e-02 1.681e-02 / CHEB/ 3.432e-02 -1.106e-02 -4.940e-03 -6.189e-05 / CHEB/ -1.104e-02 -2.287e-02 -1.218e-02 -3.914e-03 /

3371.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.0	-9.0	-4.8	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-20.3	-9.2	-4.8	-2.5

Chebyshev(coeffs=[[-12.8205,-0.460314,-0.26179,-0.100535],[15.3863,0.27753,0.143681,0.0453972],[0.700148,0.122067,0.0757498,0.0311665],[0.228073,0.0585168,0.0358056,0.0160428],[0.0395929,-0.010896,-0.00532852,-0.000784293],[-0.00824364,-0.0213606,-0.0116223,-0.003942]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.02
S298 (cal/mol*K) = -14.52
G298 (kcal/mol) = 48.34

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(619); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(619)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.282e+01 -4.603e-01 -2.618e-01 -1.005e-01 / CHEB/ 1.539e+01 2.775e-01 1.437e-01 4.540e-02 / CHEB/ 7.001e-01 1.221e-01 7.575e-02 3.117e-02 / CHEB/ 2.281e-01 5.852e-02 3.581e-02 1.604e-02 / CHEB/ 3.959e-02 -1.090e-02 -5.329e-03 -7.843e-04 / CHEB/ -8.244e-03 -2.136e-02 -1.162e-02 -3.942e-03 /

3374.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+1.7	+1.1	+0.6
log₁₀(k(10 bar)/[mole,m,s])	+2.7	+2.3	+1.9	+1.5

Chebyshev(coeffs=[[7.54437,1.11475,-0.415756,-0.0958671],[-0.56155,0.442991,0.168035,0.00843819],[-0.31812,0.158747,0.0888161,0.0260896],[-0.0961386,0.103311,0.0456928,0.00934507],[-0.0320355,0.036145,0.0142967,0.0018665],[-0.0204756,-0.000644491,0.00176064,0.0017887]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.14
S298 (cal/mol*K) = -54.15
G298 (kcal/mol) = -52.01

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(351); C2H4(72), C7H11(351); C5H7(210)+C2H4(72)(+M)=>C7H11(351)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.544e+00 1.115e+00 -4.158e-01 -9.587e-02 / CHEB/ -5.616e-01 4.430e-01 1.680e-01 8.438e-03 / CHEB/ -3.181e-01 1.587e-01 8.882e-02 2.609e-02 / CHEB/ -9.614e-02 1.033e-01 4.569e-02 9.345e-03 / CHEB/ -3.204e-02 3.615e-02 1.430e-02 1.867e-03 / CHEB/ -2.048e-02 -6.445e-04 1.761e-03 1.789e-03 /

3375.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+4.2	+4.4	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+3.9	+4.2	+4.4

Chebyshev(coeffs=[[9.53001,-0.827474,-0.394411,-0.0952253],[0.664664,0.482184,0.187107,0.012422],[0.125434,0.148617,0.0889842,0.0302862],[0.0459158,0.0836894,0.0409535,0.0117989],[0.00646688,0.023542,0.0108206,0.00284939],[-0.0111569,-0.00591797,-0.000290233,0.00183263]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.57
S298 (cal/mol*K) = -28.10
G298 (kcal/mol) = -41.19

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(604); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(604)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.530e+00 -8.275e-01 -3.944e-01 -9.523e-02 / CHEB/ 6.647e-01 4.822e-01 1.871e-01 1.242e-02 / CHEB/ 1.254e-01 1.486e-01 8.898e-02 3.029e-02 / CHEB/ 4.592e-02 8.369e-02 4.095e-02 1.180e-02 / CHEB/ 6.467e-03 2.354e-02 1.082e-02 2.849e-03 / CHEB/ -1.116e-02 -5.918e-03 -2.902e-04 1.833e-03 /

3376.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.4	+3.9	+4.1	+4.2
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+3.5	+3.9	+4.1

Chebyshev(coeffs=[[9.13068,-0.82215,-0.39264,-0.0953626],[0.760771,0.483812,0.18812,0.0127344],[0.154359,0.1459,0.0881909,0.0305436],[0.0504481,0.0814938,0.0402166,0.0118776],[0.00554314,0.0227729,0.0105462,0.00283812],[-0.0121801,-0.0059375,-0.000357196,0.00178392]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.39
S298 (cal/mol*K) = -26.77
G298 (kcal/mol) = -36.41

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(93); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(93)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.131e+00 -8.222e-01 -3.926e-01 -9.536e-02 / CHEB/ 7.608e-01 4.838e-01 1.881e-01 1.273e-02 / CHEB/ 1.544e-01 1.459e-01 8.819e-02 3.054e-02 / CHEB/ 5.045e-02 8.149e-02 4.022e-02 1.188e-02 / CHEB/ 5.543e-03 2.277e-02 1.055e-02 2.838e-03 / CHEB/ -1.218e-02 -5.937e-03 -3.572e-04 1.784e-03 /

3377.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.0	+4.5	+4.7	+4.8
log₁₀(k(10 bar)/[mole,m,s])	+3.5	+4.2	+4.5	+4.7

Chebyshev(coeffs=[[9.75569,-0.821292,-0.392542,-0.095556],[0.77481,0.482451,0.187554,0.0126217],[0.149005,0.144228,0.0874811,0.0304602],[0.0434039,0.0809467,0.0399466,0.011798],[0.00136109,0.0229774,0.010592,0.00278895],[-0.0140973,-0.00558956,-0.000247534,0.00176029]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -43.38
S298 (cal/mol*K) = -11.71
G298 (kcal/mol) = -39.89

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(605); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C2H3(100)+C5H8(605)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.756e+00 -8.213e-01 -3.925e-01 -9.556e-02 / CHEB/ 7.748e-01 4.825e-01 1.876e-01 1.262e-02 / CHEB/ 1.490e-01 1.442e-01 8.748e-02 3.046e-02 / CHEB/ 4.340e-02 8.095e-02 3.995e-02 1.180e-02 / CHEB/ 1.361e-03 2.298e-02 1.059e-02 2.789e-03 / CHEB/ -1.410e-02 -5.590e-03 -2.475e-04 1.760e-03 /

3378.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.3	+3.7	+3.9	+3.9
log₁₀(k(10 bar)/[mole,m,s])	+2.7	+3.4	+3.7	+3.9

Chebyshev(coeffs=[[9.00206,-0.824607,-0.39367,-0.0954937],[0.716196,0.481275,0.186839,0.0124001],[0.130197,0.145737,0.0878932,0.0302839],[0.0394111,0.082232,0.0403665,0.0117379],[0.00103126,0.0234663,0.0107613,0.00278836],[-0.0138334,-0.00553505,-0.000193796,0.00178626]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -93.04
S298 (cal/mol*K) = -52.92
G298 (kcal/mol) = -77.27

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(606); C2H4(72), C7H11(606); C5H7(210)+C2H4(72)(+M)=>C7H11(606)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.002e+00 -8.246e-01 -3.937e-01 -9.549e-02 / CHEB/ 7.162e-01 4.813e-01 1.868e-01 1.240e-02 / CHEB/ 1.302e-01 1.457e-01 8.789e-02 3.028e-02 / CHEB/ 3.941e-02 8.223e-02 4.037e-02 1.174e-02 / CHEB/ 1.031e-03 2.347e-02 1.076e-02 2.788e-03 / CHEB/ -1.383e-02 -5.535e-03 -1.938e-04 1.786e-03 /

3379.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+2.9	+3.2	+3.4
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+2.6	+3.1	+3.3

Chebyshev(coeffs=[[8.08647,-0.810741,-0.388795,-0.0956143],[0.968621,0.487107,0.190301,0.0134791],[0.216248,0.140229,0.0865381,0.0311019],[0.0603687,0.0771014,0.0387248,0.0120311],[0.00410256,0.0212943,0.0100103,0.00281036],[-0.0137993,-0.00597456,-0.000493827,0.0016845]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -79.45
S298 (cal/mol*K) = -43.96
G298 (kcal/mol) = -66.35

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(416); C2H4(72), C7H11(416); C5H7(210)+C2H4(72)(+M)=>C7H11(416)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.086e+00 -8.107e-01 -3.888e-01 -9.561e-02 / CHEB/ 9.686e-01 4.871e-01 1.903e-01 1.348e-02 / CHEB/ 2.162e-01 1.402e-01 8.654e-02 3.110e-02 / CHEB/ 6.037e-02 7.710e-02 3.872e-02 1.203e-02 / CHEB/ 4.103e-03 2.129e-02 1.001e-02 2.810e-03 / CHEB/ -1.380e-02 -5.975e-03 -4.938e-04 1.685e-03 /

3380.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.3	+2.1	+2.5	+2.7
log₁₀(k(10 bar)/[mole,m,s])	+0.8	+1.8	+2.4	+2.7

Chebyshev(coeffs=[[7.19524,-0.801807,-0.385635,-0.0956779],[1.13527,0.490419,0.192417,0.0142142],[0.271426,0.136525,0.0855722,0.0316084],[0.0735708,0.0739562,0.0376777,0.0121816],[0.00617052,0.0200694,0.0095664,0.00280343],[-0.0136678,-0.00619242,-0.000667184,0.00161303]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -66.85
S298 (cal/mol*K) = -47.05
G298 (kcal/mol) = -52.83

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(607); C2H4(72), C7H11(607); C5H7(210)+C2H4(72)(+M)=>C7H11(607)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.195e+00 -8.018e-01 -3.856e-01 -9.568e-02 / CHEB/ 1.135e+00 4.904e-01 1.924e-01 1.421e-02 / CHEB/ 2.714e-01 1.365e-01 8.557e-02 3.161e-02 / CHEB/ 7.357e-02 7.396e-02 3.768e-02 1.218e-02 / CHEB/ 6.171e-03 2.007e-02 9.566e-03 2.803e-03 / CHEB/ -1.367e-02 -6.192e-03 -6.672e-04 1.613e-03 /

3381.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.1	+4.3	+4.3	+4.2
log₁₀(k(10 bar)/[mole,m,s])	+3.5	+3.9	+4.1	+4.2

Chebyshev(coeffs=[[9.69222,-0.842069,-0.399616,-0.0951733],[0.40518,0.473927,0.182725,0.0112826],[0.026846,0.153187,0.0898003,0.0293048],[0.0168886,0.0893215,0.0425952,0.0113406],[3.92251e-05,0.0264871,0.0117669,0.00274159],[-0.0121426,-0.00501852,0.000165803,0.00191253]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -64.65
S298 (cal/mol*K) = -47.47
G298 (kcal/mol) = -50.51

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(608); C2H4(72), C7H11(608); C5H7(210)+C2H4(72)(+M)=>C7H11(608)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.692e+00 -8.421e-01 -3.996e-01 -9.517e-02 / CHEB/ 4.052e-01 4.739e-01 1.827e-01 1.128e-02 / CHEB/ 2.685e-02 1.532e-01 8.980e-02 2.930e-02 / CHEB/ 1.689e-02 8.932e-02 4.260e-02 1.134e-02 / CHEB/ 3.923e-05 2.649e-02 1.177e-02 2.742e-03 / CHEB/ -1.214e-02 -5.019e-03 1.658e-04 1.913e-03 /

3382.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	+0.3	+2.2	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-4.9	+0.1	+2.1	+3.1

Chebyshev(coeffs=[[1.81278,-0.431931,-0.252332,-0.0995405],[6.80857,0.271382,0.145003,0.0445614],[0.372065,0.0666296,0.0464225,0.0247921],[0.0880304,0.0444342,0.0258077,0.0102397],[-0.0117262,0.011446,0.00672752,0.00272591],[-0.0227706,-0.00557469,-0.00228963,1.73228e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.16
S298 (cal/mol*K) = 1.70
G298 (kcal/mol) = 17.65

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(609); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C2H3(100)+C5H8(609)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.813e+00 -4.319e-01 -2.523e-01 -9.954e-02 / CHEB/ 6.809e+00 2.714e-01 1.450e-01 4.456e-02 / CHEB/ 3.721e-01 6.663e-02 4.642e-02 2.479e-02 / CHEB/ 8.803e-02 4.443e-02 2.581e-02 1.024e-02 / CHEB/ -1.173e-02 1.145e-02 6.728e-03 2.726e-03 / CHEB/ -2.277e-02 -5.575e-03 -2.290e-03 1.732e-05 /

3383.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	-1.3	-0.0	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-4.3	-1.6	-0.2	+0.7

Chebyshev(coeffs=[[2.61773,-0.696508,-0.349159,-0.0971609],[3.14541,0.489357,0.204217,0.0238926],[0.740746,0.0887566,0.0689663,0.0347514],[0.145687,0.0507151,0.0281366,0.0116594],[0.0128051,0.0143414,0.00714882,0.00219884],[-0.0126824,-0.00642847,-0.00159913,0.000895711]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.44
S298 (cal/mol*K) = -27.93
G298 (kcal/mol) = 0.88

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(381); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(381)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.618e+00 -6.965e-01 -3.492e-01 -9.716e-02 / CHEB/ 3.145e+00 4.894e-01 2.042e-01 2.389e-02 / CHEB/ 7.407e-01 8.876e-02 6.897e-02 3.475e-02 / CHEB/ 1.457e-01 5.072e-02 2.814e-02 1.166e-02 / CHEB/ 1.281e-02 1.434e-02 7.149e-03 2.199e-03 / CHEB/ -1.268e-02 -6.428e-03 -1.599e-03 8.957e-04 /

3384.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-3.2	-0.8	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-3.3	-0.9	+0.5

Chebyshev(coeffs=[[-2.36618,-0.417155,-0.245653,-0.0986236],[8.10217,0.259073,0.140204,0.0447077],[0.566069,0.0654894,0.0453561,0.024128],[0.15035,0.0442257,0.0257684,0.0102576],[0.0096264,0.0112354,0.00666766,0.00275602],[-0.015383,-0.00554734,-0.00233513,-4.85789e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.05
S298 (cal/mol*K) = -12.56
G298 (kcal/mol) = 24.79

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(376); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(376)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.366e+00 -4.172e-01 -2.457e-01 -9.862e-02 / CHEB/ 8.102e+00 2.591e-01 1.402e-01 4.471e-02 / CHEB/ 5.661e-01 6.549e-02 4.536e-02 2.413e-02 / CHEB/ 1.504e-01 4.423e-02 2.577e-02 1.026e-02 / CHEB/ 9.626e-03 1.124e-02 6.668e-03 2.756e-03 / CHEB/ -1.538e-02 -5.547e-03 -2.335e-03 -4.858e-05 /

3385.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-3.1	-0.8	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-8.8	-3.2	-0.9	+0.3

Chebyshev(coeffs=[[-1.90497,-0.436953,-0.254564,-0.0998118],[7.51599,0.275653,0.146632,0.044477],[0.558751,0.0669199,0.0467473,0.0250143],[0.14091,0.0445187,0.0258262,0.0102347],[0.00566523,0.0115219,0.00674963,0.0027158],[-0.016598,-0.00558699,-0.00227562,3.9068e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.00
S298 (cal/mol*K) = -12.10
G298 (kcal/mol) = 22.60

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(128); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(128)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.905e+00 -4.370e-01 -2.546e-01 -9.981e-02 / CHEB/ 7.516e+00 2.757e-01 1.466e-01 4.448e-02 / CHEB/ 5.588e-01 6.692e-02 4.675e-02 2.501e-02 / CHEB/ 1.409e-01 4.452e-02 2.583e-02 1.023e-02 / CHEB/ 5.665e-03 1.152e-02 6.750e-03 2.716e-03 / CHEB/ -1.660e-02 -5.587e-03 -2.276e-03 3.907e-05 /

3386.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-3.7	-1.2	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-3.8	-1.3	+0.2

Chebyshev(coeffs=[[-2.88413,-0.418633,-0.246113,-0.0984595],[8.19879,0.264165,0.142546,0.0450904],[0.620277,0.0645612,0.0450982,0.0242608],[0.179884,0.0432774,0.0252623,0.0101186],[0.0338265,0.0106269,0.00634229,0.00265575],[-0.00812416,-0.00575623,-0.00244959,-8.74149e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.60
S298 (cal/mol*K) = -15.51
G298 (kcal/mol) = 25.22

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(59); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(59)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.884e+00 -4.186e-01 -2.461e-01 -9.846e-02 / CHEB/ 8.199e+00 2.642e-01 1.425e-01 4.509e-02 / CHEB/ 6.203e-01 6.456e-02 4.510e-02 2.426e-02 / CHEB/ 1.799e-01 4.328e-02 2.526e-02 1.012e-02 / CHEB/ 3.383e-02 1.063e-02 6.342e-03 2.656e-03 / CHEB/ -8.124e-03 -5.756e-03 -2.450e-03 -8.741e-05 /

3387.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.0	-6.2	-3.2	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-14.2	-6.3	-3.2	-1.6

Chebyshev(coeffs=[[-7.16494,-0.319226,-0.197673,-0.0883285],[10.9312,0.180618,0.105927,0.0417153],[0.477614,0.0557617,0.0375531,0.0195162],[0.154305,0.0417624,0.0250594,0.0104917],[0.0180155,0.00998019,0.00626118,0.0028904],[-0.0123777,-0.00513299,-0.00250851,-0.000479072]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.60
S298 (cal/mol*K) = -15.19
G298 (kcal/mol) = 36.12

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(379); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(379)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.165e+00 -3.192e-01 -1.977e-01 -8.833e-02 / CHEB/ 1.093e+01 1.806e-01 1.059e-01 4.172e-02 / CHEB/ 4.776e-01 5.576e-02 3.755e-02 1.952e-02 / CHEB/ 1.543e-01 4.176e-02 2.506e-02 1.049e-02 / CHEB/ 1.802e-02 9.980e-03 6.261e-03 2.890e-03 / CHEB/ -1.238e-02 -5.133e-03 -2.509e-03 -4.791e-04 /

3388.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.8	-5.5	-2.4	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-14.0	-5.7	-2.4	-0.7

Chebyshev(coeffs=[[-6.94471,-0.302671,-0.188921,-0.0858054],[11.5743,0.167957,0.0997693,0.0405013],[0.475907,0.0538041,0.0361183,0.0187057],[0.158156,0.0410704,0.0248041,0.0105207],[0.0207626,0.00975941,0.00617417,0.00289607],[-0.0112133,-0.00500885,-0.00250444,-0.000542229]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.80
S298 (cal/mol*K) = -15.61
G298 (kcal/mol) = 38.45

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(53); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(53)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.945e+00 -3.027e-01 -1.889e-01 -8.581e-02 / CHEB/ 1.157e+01 1.680e-01 9.977e-02 4.050e-02 / CHEB/ 4.759e-01 5.380e-02 3.612e-02 1.871e-02 / CHEB/ 1.582e-01 4.107e-02 2.480e-02 1.052e-02 / CHEB/ 2.076e-02 9.759e-03 6.174e-03 2.896e-03 / CHEB/ -1.121e-02 -5.009e-03 -2.504e-03 -5.422e-04 /

3389.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.0	+4.3	+4.3	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+3.4	+3.9	+4.1	+4.2

Chebyshev(coeffs=[[9.63667,-0.835722,-0.397551,-0.0953763],[0.517254,0.476013,0.183916,0.0115915],[0.0606637,0.149908,0.0888462,0.029605],[0.0218246,0.086523,0.0416809,0.0114515],[-0.00156487,0.0254352,0.0114091,0.00273925],[-0.0137376,-0.00507722,7.58246e-05,0.00185677]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.23
S298 (cal/mol*K) = -38.54
G298 (kcal/mol) = -49.75

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(610); C2H4(72), C7H11(610); C5H7(210)+C2H4(72)(+M)=>C7H11(610)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.637e+00 -8.357e-01 -3.976e-01 -9.538e-02 / CHEB/ 5.173e-01 4.760e-01 1.839e-01 1.159e-02 / CHEB/ 6.066e-02 1.499e-01 8.885e-02 2.960e-02 / CHEB/ 2.182e-02 8.652e-02 4.168e-02 1.145e-02 / CHEB/ -1.565e-03 2.544e-02 1.141e-02 2.739e-03 / CHEB/ -1.374e-02 -5.077e-03 7.582e-05 1.857e-03 /

3390.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+0.6	+1.4	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-1.6	+0.3	+1.3	+1.9

Chebyshev(coeffs=[[5.11174,-0.751578,-0.368,-0.0961728],[2.09574,0.499512,0.201223,0.0186064],[0.543201,0.113176,0.0783572,0.0338233],[0.124989,0.059232,0.0321644,0.0123663],[0.0116657,0.0157408,0.00779796,0.00252733],[-0.0133116,-0.00652146,-0.00128025,0.00120034]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -57.09
S298 (cal/mol*K) = -45.33
G298 (kcal/mol) = -43.59

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(414); C2H4(72), C7H11(414); C5H7(210)+C2H4(72)(+M)=>C7H11(414)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.112e+00 -7.516e-01 -3.680e-01 -9.617e-02 / CHEB/ 2.096e+00 4.995e-01 2.012e-01 1.861e-02 / CHEB/ 5.432e-01 1.132e-01 7.836e-02 3.382e-02 / CHEB/ 1.250e-01 5.923e-02 3.216e-02 1.237e-02 / CHEB/ 1.167e-02 1.574e-02 7.798e-03 2.527e-03 / CHEB/ -1.331e-02 -6.521e-03 -1.280e-03 1.200e-03 /

3391.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.7	-8.0	-4.6	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-8.1	-4.7	-2.9

Chebyshev(coeffs=[[-9.77733,-0.285272,-0.179364,-0.0826764],[12.1882,0.159816,0.0959679,0.0399507],[0.513027,0.050309,0.0339313,0.0177368],[0.165832,0.0391089,0.0238252,0.0102929],[0.0229179,0.00894835,0.00575668,0.00278693],[-0.00996072,-0.00506692,-0.00261163,-0.000654769]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.45
S298 (cal/mol*K) = -21.44
G298 (kcal/mol) = 41.84

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(611); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(611)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.777e+00 -2.853e-01 -1.794e-01 -8.268e-02 / CHEB/ 1.219e+01 1.598e-01 9.597e-02 3.995e-02 / CHEB/ 5.130e-01 5.031e-02 3.393e-02 1.774e-02 / CHEB/ 1.658e-01 3.911e-02 2.383e-02 1.029e-02 / CHEB/ 2.292e-02 8.948e-03 5.757e-03 2.787e-03 / CHEB/ -9.961e-03 -5.067e-03 -2.612e-03 -6.548e-04 /

3403.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	-1.6	+0.5	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-2.4	+0.1	+1.4

Chebyshev(coeffs=[[-1.00964,-2.19598,-0.458013,0.00659014],[7.85201,1.64854,0.159405,-0.0696343],[0.487403,0.272805,0.0968295,-0.00392824],[0.0778741,0.0318981,0.0444995,0.00396678],[0.0116448,0.0259958,0.0217207,0.00710931],[-0.0202477,0.0174366,0.0124928,0.00424595]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.21
S298 (cal/mol*K) = 20.28
G298 (kcal/mol) = 7.17

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(684); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(684)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.010e+00 -2.196e+00 -4.580e-01 6.590e-03 / CHEB/ 7.852e+00 1.649e+00 1.594e-01 -6.963e-02 / CHEB/ 4.874e-01 2.728e-01 9.683e-02 -3.928e-03 / CHEB/ 7.787e-02 3.190e-02 4.450e-02 3.967e-03 / CHEB/ 1.164e-02 2.600e-02 2.172e-02 7.109e-03 / CHEB/ -2.025e-02 1.744e-02 1.249e-02 4.246e-03 /

3404.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-3.9	-1.3	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-4.5	-1.6	-0.2

Chebyshev(coeffs=[[-4.90493,-1.64601,-0.491281,-0.029206],[10.3757,1.13419,0.220126,-0.0333226],[0.305759,0.227989,0.0953145,-0.0037907],[0.0589052,0.063187,0.0353539,0.00639906],[-0.00277165,0.0382533,0.0195071,0.00669617],[-0.0223552,0.014193,0.0122984,0.00437472]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.03
S298 (cal/mol*K) = -0.03
G298 (kcal/mol) = -24.02

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(685); H(25), C7H11(685); C7H10(1)+H(25)(+M)=>C7H11(685)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.905e+00 -1.646e+00 -4.913e-01 -2.921e-02 / CHEB/ 1.038e+01 1.134e+00 2.201e-01 -3.332e-02 / CHEB/ 3.058e-01 2.280e-01 9.531e-02 -3.791e-03 / CHEB/ 5.891e-02 6.319e-02 3.535e-02 6.399e-03 / CHEB/ -2.772e-03 3.825e-02 1.951e-02 6.696e-03 / CHEB/ -2.236e-02 1.419e-02 1.230e-02 4.375e-03 /

3405.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-3.9	-1.2	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-4.5	-1.5	+0.0

Chebyshev(coeffs=[[-5.3673,-1.5209,-0.489174,-0.037891],[11.0779,1.02152,0.225539,-0.0258425],[0.272987,0.21652,0.0936157,-0.000892739],[0.0473283,0.0704389,0.0345815,0.00598348],[-0.0130425,0.0402763,0.019481,0.00630249],[-0.0243508,0.0130741,0.0119267,0.00458207]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.93
S298 (cal/mol*K) = 1.34
G298 (kcal/mol) = -12.33

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(686); H(25), C7H11(686); C7H10(1)+H(25)(+M)=>C7H11(686)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.367e+00 -1.521e+00 -4.892e-01 -3.789e-02 / CHEB/ 1.108e+01 1.022e+00 2.255e-01 -2.584e-02 / CHEB/ 2.730e-01 2.165e-01 9.362e-02 -8.927e-04 / CHEB/ 4.733e-02 7.044e-02 3.458e-02 5.983e-03 / CHEB/ -1.304e-02 4.028e-02 1.948e-02 6.302e-03 / CHEB/ -2.435e-02 1.307e-02 1.193e-02 4.582e-03 /

3406.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	+0.7	+1.9	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-5.1	-0.2	+1.4	+2.3

Chebyshev(coeffs=[[2.71017,-2.84712,-0.491944,-0.0124273],[5.30614,2.21665,0.0179195,-0.121707],[0.312981,0.225441,0.187855,0.0338389],[-0.0236754,0.00691366,0.0677196,0.0253047],[0.00515421,0.0427168,0.0218154,0.00209255],[-0.00505065,0.0390355,0.0103321,-0.00123592]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.93
S298 (cal/mol*K) = 0.61
G298 (kcal/mol) = -27.12

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(687); H(25), C7H11(687); C7H10(1)+H(25)(+M)=>C7H11(687)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.710e+00 -2.847e+00 -4.919e-01 -1.243e-02 / CHEB/ 5.306e+00 2.217e+00 1.792e-02 -1.217e-01 / CHEB/ 3.130e-01 2.254e-01 1.879e-01 3.384e-02 / CHEB/ -2.368e-02 6.914e-03 6.772e-02 2.530e-02 / CHEB/ 5.154e-03 4.272e-02 2.182e-02 2.093e-03 / CHEB/ -5.051e-03 3.904e-02 1.033e-02 -1.236e-03 /

3407.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+0.3	+1.3	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-5.1	-0.8	+0.8	+1.6

Chebyshev(coeffs=[[2.97324,-2.96027,-0.368675,0.0569126],[4.44526,2.09386,0.00681938,-0.115854],[0.202506,0.405135,0.0844367,-0.0106294],[-0.0175909,0.067481,0.0421269,0.0105187],[0.00882455,0.0143955,0.0225919,0.000992047],[-0.0149828,0.0114073,0.0148777,-0.00192607]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.43
S298 (cal/mol*K) = 0.61
G298 (kcal/mol) = -26.62

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(688); H(25), C7H11(688); C7H10(1)+H(25)(+M)=>C7H11(688)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.973e+00 -2.960e+00 -3.687e-01 5.691e-02 / CHEB/ 4.445e+00 2.094e+00 6.819e-03 -1.159e-01 / CHEB/ 2.025e-01 4.051e-01 8.444e-02 -1.063e-02 / CHEB/ -1.759e-02 6.748e-02 4.213e-02 1.052e-02 / CHEB/ 8.825e-03 1.440e-02 2.259e-02 9.920e-04 / CHEB/ -1.498e-02 1.141e-02 1.488e-02 -1.926e-03 /

3408.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.1	-14.3	-7.9	-4.7
log₁₀(k(10 bar)/[mole,m,s])	-34.2	-14.5	-8.0	-4.7

Chebyshev(coeffs=[[-26.6602,-0.256273,-0.158656,-0.0709383],[28.0328,0.112951,0.0693109,0.030328],[-0.0904094,0.0462326,0.0272296,0.0109463],[-0.0239759,0.0459842,0.0262821,0.00970978],[-0.00988909,0.0195032,0.0125182,0.00593844],[-0.00561736,0.000952674,0.00173242,0.00180017]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 89.17
S298 (cal/mol*K) = 32.48
G298 (kcal/mol) = 79.49

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(689); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(689)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.666e+01 -2.563e-01 -1.587e-01 -7.094e-02 / CHEB/ 2.803e+01 1.130e-01 6.931e-02 3.033e-02 / CHEB/ -9.041e-02 4.623e-02 2.723e-02 1.095e-02 / CHEB/ -2.398e-02 4.598e-02 2.628e-02 9.710e-03 / CHEB/ -9.889e-03 1.950e-02 1.252e-02 5.938e-03 / CHEB/ -5.617e-03 9.527e-04 1.732e-03 1.800e-03 /

3409.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.5	-11.3	-5.7	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-28.7	-11.5	-5.8	-2.9

Chebyshev(coeffs=[[-21.3481,-0.36626,-0.214828,-0.0855144],[24.4701,0.1724,0.0977722,0.0356705],[-0.0466458,0.0644449,0.0370499,0.0140724],[-0.0105218,0.0596711,0.0316594,0.00948736],[-0.00643234,0.0265414,0.015878,0.00647135],[-0.00644854,0.00153481,0.00271588,0.00270591]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.07
S298 (cal/mol*K) = 31.10
G298 (kcal/mol) = 67.80

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(690); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(690)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.135e+01 -3.663e-01 -2.148e-01 -8.551e-02 / CHEB/ 2.447e+01 1.724e-01 9.777e-02 3.567e-02 / CHEB/ -4.665e-02 6.444e-02 3.705e-02 1.407e-02 / CHEB/ -1.052e-02 5.967e-02 3.166e-02 9.487e-03 / CHEB/ -6.432e-03 2.654e-02 1.588e-02 6.471e-03 / CHEB/ -6.449e-03 1.535e-03 2.716e-03 2.706e-03 /

3410.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.2	-10.7	-5.3	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-27.5	-10.9	-5.4	-2.6

Chebyshev(coeffs=[[-20.1177,-0.402402,-0.231785,-0.0885245],[23.5218,0.193027,0.106501,0.0362081],[-0.0375561,0.0702406,0.0401131,0.014948],[-0.00801872,0.063454,0.0329374,0.00922184],[-0.00604121,0.0285624,0.0167071,0.00646423],[-0.00694963,0.00176493,0.00304928,0.00298057]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.17
S298 (cal/mol*K) = 31.75
G298 (kcal/mol) = 64.71

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(691); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(691)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.012e+01 -4.024e-01 -2.318e-01 -8.852e-02 / CHEB/ 2.352e+01 1.930e-01 1.065e-01 3.621e-02 / CHEB/ -3.756e-02 7.024e-02 4.011e-02 1.495e-02 / CHEB/ -8.019e-03 6.345e-02 3.294e-02 9.222e-03 / CHEB/ -6.041e-03 2.856e-02 1.671e-02 6.464e-03 / CHEB/ -6.950e-03 1.765e-03 3.049e-03 2.981e-03 /

3411.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.4	-10.8	-5.3	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-27.7	-11.0	-5.4	-2.7

Chebyshev(coeffs=[[-20.3222,-0.396469,-0.22905,-0.0880843],[23.6727,0.189615,0.105094,0.0361579],[-0.038692,0.0692878,0.0396129,0.0148104],[-0.00835465,0.0628546,0.0327409,0.00926876],[-0.00607215,0.0282407,0.0165794,0.00646986],[-0.00685342,0.00172573,0.00299428,0.00293651]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.67
S298 (cal/mol*K) = 31.75
G298 (kcal/mol) = 65.21

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(692); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(692)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.032e+01 -3.965e-01 -2.290e-01 -8.808e-02 / CHEB/ 2.367e+01 1.896e-01 1.051e-01 3.616e-02 / CHEB/ -3.869e-02 6.929e-02 3.961e-02 1.481e-02 / CHEB/ -8.355e-03 6.285e-02 3.274e-02 9.269e-03 / CHEB/ -6.072e-03 2.824e-02 1.658e-02 6.470e-03 / CHEB/ -6.853e-03 1.726e-03 2.994e-03 2.937e-03 /

3412.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.3	-13.9	-7.0	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-35.4	-14.0	-7.0	-3.6

Chebyshev(coeffs=[[-27.7617,-0.201214,-0.127852,-0.0602293],[30.3409,0.0852517,0.0541703,0.0254708],[-0.146696,0.0367951,0.022058,0.0092056],[-0.0417087,0.0377624,0.0224818,0.0091813],[-0.0153402,0.0154665,0.0102726,0.00521317],[-0.0063884,0.00072086,0.00127261,0.00133339]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.49
S298 (cal/mol*K) = 39.13
G298 (kcal/mol) = 76.83

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(693); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>CH2(T)(82)+C6H9(693)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.776e+01 -2.012e-01 -1.279e-01 -6.023e-02 / CHEB/ 3.034e+01 8.525e-02 5.417e-02 2.547e-02 / CHEB/ -1.467e-01 3.680e-02 2.206e-02 9.206e-03 / CHEB/ -4.171e-02 3.776e-02 2.248e-02 9.181e-03 / CHEB/ -1.534e-02 1.547e-02 1.027e-02 5.213e-03 / CHEB/ -6.388e-03 7.209e-04 1.273e-03 1.333e-03 /

3413.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.0	-15.8	-9.1	-5.7
log₁₀(k(10 bar)/[mole,m,s])	-36.2	-15.9	-9.1	-5.7

Chebyshev(coeffs=[[-28.5066,-0.245651,-0.152794,-0.0689759],[28.7497,0.111001,0.0684099,0.0302127],[0.0123484,0.0442476,0.0262108,0.010675],[0.0117187,0.043698,0.0252081,0.00953809],[0.0072869,0.0180211,0.011731,0.005716],[5.11328e-05,0.000521334,0.00142436,0.0016331]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 90.77
S298 (cal/mol*K) = 25.71
G298 (kcal/mol) = 83.11

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(694); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(694)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.851e+01 -2.457e-01 -1.528e-01 -6.898e-02 / CHEB/ 2.875e+01 1.110e-01 6.841e-02 3.021e-02 / CHEB/ 1.235e-02 4.425e-02 2.621e-02 1.068e-02 / CHEB/ 1.172e-02 4.370e-02 2.521e-02 9.538e-03 / CHEB/ 7.287e-03 1.802e-02 1.173e-02 5.716e-03 / CHEB/ 5.113e-05 5.213e-04 1.424e-03 1.633e-03 /

3438.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.7	+3.4	+3.7	+3.8
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+3.0	+3.5	+3.8

Chebyshev(coeffs=[[8.63593,-0.731915,-0.272206,-0.0413725],[0.888846,0.392799,0.109401,0.00501193],[0.209233,0.202001,0.067673,-0.00738966],[0.0597055,0.0793452,0.036424,0.00382436],[-0.000608679,-0.00457574,0.00859806,0.00962934],[-0.0180357,-0.0196447,-0.00209993,0.00498263]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -90.72
S298 (cal/mol*K) = -38.44
G298 (kcal/mol) = -79.26

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(501); H(25), C7H11(501); C7H10(18)+H(25)(+M)=>C7H11(501)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.636e+00 -7.319e-01 -2.722e-01 -4.137e-02 / CHEB/ 8.888e-01 3.928e-01 1.094e-01 5.012e-03 / CHEB/ 2.092e-01 2.020e-01 6.767e-02 -7.390e-03 / CHEB/ 5.971e-02 7.935e-02 3.642e-02 3.824e-03 / CHEB/ -6.087e-04 -4.576e-03 8.598e-03 9.629e-03 / CHEB/ -1.804e-02 -1.964e-02 -2.100e-03 4.983e-03 /

3439.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.6	+5.4	+5.7	+5.7
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+4.7	+5.3	+5.6

Chebyshev(coeffs=[[10.264,-1.58767,-0.511769,-0.0400756],[1.06875,0.890264,0.121134,-0.0664805],[0.232517,0.377653,0.178671,0.00764013],[0.044936,0.129983,0.0784843,0.0272889],[-0.0178154,0.0170466,0.0119882,0.0108161],[-0.0275303,-0.012133,-0.000211633,0.00211236]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.93
S298 (cal/mol*K) = -11.02
G298 (kcal/mol) = -47.65

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(695); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(695)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.026e+01 -1.588e+00 -5.118e-01 -4.008e-02 / CHEB/ 1.069e+00 8.903e-01 1.211e-01 -6.648e-02 / CHEB/ 2.325e-01 3.777e-01 1.787e-01 7.640e-03 / CHEB/ 4.494e-02 1.300e-01 7.848e-02 2.729e-02 / CHEB/ -1.782e-02 1.705e-02 1.199e-02 1.082e-02 / CHEB/ -2.753e-02 -1.213e-02 -2.116e-04 2.112e-03 /

3440.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.0	+6.5	+6.5	+6.4
log₁₀(k(10 bar)/[mole,m,s])	+4.7	+5.7	+6.1	+6.3

Chebyshev(coeffs=[[11.4658,-1.62033,-0.518641,-0.0386673],[0.718644,0.86699,0.110406,-0.0672301],[0.107056,0.385685,0.175023,0.00340879],[0.00917977,0.141802,0.0800487,0.0249646],[-0.0275553,0.0228237,0.0140714,0.0106896],[-0.0308889,-0.0104083,0.000918686,0.00241924]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -104.79
S298 (cal/mol*K) = -33.08
G298 (kcal/mol) = -94.93

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(696); H(25), C7H11(696); C7H10(18)+H(25)(+M)=>C7H11(696)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.147e+01 -1.620e+00 -5.186e-01 -3.867e-02 / CHEB/ 7.186e-01 8.670e-01 1.104e-01 -6.723e-02 / CHEB/ 1.071e-01 3.857e-01 1.750e-01 3.409e-03 / CHEB/ 9.180e-03 1.418e-01 8.005e-02 2.496e-02 / CHEB/ -2.756e-02 2.282e-02 1.407e-02 1.069e-02 / CHEB/ -3.089e-02 -1.041e-02 9.187e-04 2.419e-03 /

3441.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+4.7	+4.9	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+2.6	+3.9	+4.5	+4.8

Chebyshev(coeffs=[[9.4688,-1.70788,-0.580739,-0.0704936],[1.07895,0.943792,0.157557,-0.0466401],[0.216599,0.404198,0.19058,0.0120933],[0.0478952,0.160027,0.0931261,0.0314882],[-0.017182,0.0228416,0.0146219,0.011199],[-0.0304817,-0.0181526,-0.00359348,0.000663355]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -71.15
S298 (cal/mol*K) = -31.51
G298 (kcal/mol) = -61.76

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(697); H(25), C7H11(697); C7H10(18)+H(25)(+M)=>C7H11(697)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.469e+00 -1.708e+00 -5.807e-01 -7.049e-02 / CHEB/ 1.079e+00 9.438e-01 1.576e-01 -4.664e-02 / CHEB/ 2.166e-01 4.042e-01 1.906e-01 1.209e-02 / CHEB/ 4.790e-02 1.600e-01 9.313e-02 3.149e-02 / CHEB/ -1.718e-02 2.284e-02 1.462e-02 1.120e-02 / CHEB/ -3.048e-02 -1.815e-02 -3.593e-03 6.634e-04 /

3442.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.5	+5.0	+4.5	+3.9
log₁₀(k(10 bar)/[mole,m,s])	+4.1	+5.0	+5.0	+4.7

Chebyshev(coeffs=[[9.88788,0.180333,-0.606796,-0.0679573],[0.208374,0.853199,0.119245,-0.0494293],[-0.0583763,0.391665,0.159518,-0.00699722],[-0.171275,0.189908,0.0923875,0.022715],[-0.135013,0.0488317,0.0238013,0.0117595],[-0.0578544,-0.00558147,0.00269323,0.00212766]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -80.35
S298 (cal/mol*K) = -32.61
G298 (kcal/mol) = -70.63

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(698); H(25), C7H11(698); C7H10(18)+H(25)(+M)=>C7H11(698)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.888e+00 1.803e-01 -6.068e-01 -6.796e-02 / CHEB/ 2.084e-01 8.532e-01 1.192e-01 -4.943e-02 / CHEB/ -5.838e-02 3.917e-01 1.595e-01 -6.997e-03 / CHEB/ -1.713e-01 1.899e-01 9.239e-02 2.272e-02 / CHEB/ -1.350e-01 4.883e-02 2.380e-02 1.176e-02 / CHEB/ -5.785e-02 -5.581e-03 2.693e-03 2.128e-03 /

3443.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.7	+5.0	+4.4	+3.7
log₁₀(k(10 bar)/[mole,m,s])	+4.2	+5.0	+4.9	+4.5

Chebyshev(coeffs=[[9.87304,0.159763,-0.617401,-0.0718092],[0.180541,0.82974,0.107026,-0.053355],[-0.179204,0.415275,0.173134,-0.0013974],[-0.21441,0.201887,0.098545,0.0248834],[-0.118375,0.0488324,0.0228681,0.0108364],[-0.038554,-0.00925525,0.000268968,0.00104962]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -80.35
S298 (cal/mol*K) = -32.61
G298 (kcal/mol) = -70.63

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(699); H(25), C7H11(699); C7H10(18)+H(25)(+M)=>C7H11(699)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.873e+00 1.598e-01 -6.174e-01 -7.181e-02 / CHEB/ 1.805e-01 8.297e-01 1.070e-01 -5.335e-02 / CHEB/ -1.792e-01 4.153e-01 1.731e-01 -1.397e-03 / CHEB/ -2.144e-01 2.019e-01 9.854e-02 2.488e-02 / CHEB/ -1.184e-01 4.883e-02 2.287e-02 1.084e-02 / CHEB/ -3.855e-02 -9.255e-03 2.690e-04 1.050e-03 /

3444.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+2.7	+3.5	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+2.1	+3.2	+3.7

Chebyshev(coeffs=[[7.02465,-1.53293,-0.513114,-0.0517305],[2.0651,0.92529,0.140543,-0.0662801],[0.531163,0.348098,0.186404,0.020415],[0.103305,0.107687,0.0763986,0.0337519],[-0.0125135,0.011242,0.0087935,0.0106083],[-0.0291623,-0.0134025,-0.0025075,0.000787532]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.95
S298 (cal/mol*K) = -31.93
G298 (kcal/mol) = -59.44

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(700); H(25), C7H11(700); C7H10(18)+H(25)(+M)=>C7H11(700)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.025e+00 -1.533e+00 -5.131e-01 -5.173e-02 / CHEB/ 2.065e+00 9.253e-01 1.405e-01 -6.628e-02 / CHEB/ 5.312e-01 3.481e-01 1.864e-01 2.042e-02 / CHEB/ 1.033e-01 1.077e-01 7.640e-02 3.375e-02 / CHEB/ -1.251e-02 1.124e-02 8.793e-03 1.061e-02 / CHEB/ -2.916e-02 -1.340e-02 -2.508e-03 7.875e-04 /

3445.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.7	+3.5	+4.3	+4.6
log₁₀(k(10 bar)/[mole,m,s])	+0.5	+2.9	+4.0	+4.5

Chebyshev(coeffs=[[7.70251,-1.489,-0.49719,-0.0472249],[2.25748,0.924788,0.145863,-0.0643522],[0.527174,0.327004,0.180938,0.0210621],[0.081587,0.0951677,0.068762,0.0314773],[-0.0200677,0.00939836,0.00612664,0.00876011],[-0.028046,-0.0113954,-0.00169413,0.000792024]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.79
S298 (cal/mol*K) = -5.03
G298 (kcal/mol) = -23.29

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(701); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(701)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.703e+00 -1.489e+00 -4.972e-01 -4.722e-02 / CHEB/ 2.257e+00 9.248e-01 1.459e-01 -6.435e-02 / CHEB/ 5.272e-01 3.270e-01 1.809e-01 2.106e-02 / CHEB/ 8.159e-02 9.517e-02 6.876e-02 3.148e-02 / CHEB/ -2.007e-02 9.398e-03 6.127e-03 8.760e-03 / CHEB/ -2.805e-02 -1.140e-02 -1.694e-03 7.920e-04 /

3446.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.8	-1.7	+1.0	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-2.1	+0.9	+2.5

Chebyshev(coeffs=[[-2.03943,-0.86033,-0.409919,-0.101507],[9.62242,0.603551,0.223031,0.00652098],[0.714585,0.141977,0.110005,0.0517261],[0.148567,0.0552433,0.0330672,0.0171502],[0.0109068,0.0121451,0.00555975,0.0017848],[-0.0160844,-0.0117441,-0.00332694,0.000786274]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.05
S298 (cal/mol*K) = 1.53
G298 (kcal/mol) = 21.59

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(151); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.039e+00 -8.603e-01 -4.099e-01 -1.015e-01 / CHEB/ 9.622e+00 6.036e-01 2.230e-01 6.521e-03 / CHEB/ 7.146e-01 1.420e-01 1.100e-01 5.173e-02 / CHEB/ 1.486e-01 5.524e-02 3.307e-02 1.715e-02 / CHEB/ 1.091e-02 1.215e-02 5.560e-03 1.785e-03 / CHEB/ -1.608e-02 -1.174e-02 -3.327e-03 7.863e-04 /

3447.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.9	-4.7	-1.6	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-5.0	-1.8	-0.1

Chebyshev(coeffs=[[-6.17046,-0.726152,-0.373027,-0.110011],[11.3776,0.490166,0.207245,0.0242918],[0.5895,0.123318,0.0919603,0.0468267],[0.136325,0.057654,0.0332242,0.0147622],[0.00734339,0.0134051,0.00699092,0.00229654],[-0.0171527,-0.0117316,-0.00390659,0.000614912]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.95
S298 (cal/mol*K) = 1.00
G298 (kcal/mol) = 29.65

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(702); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(702)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.170e+00 -7.262e-01 -3.730e-01 -1.100e-01 / CHEB/ 1.138e+01 4.902e-01 2.072e-01 2.429e-02 / CHEB/ 5.895e-01 1.233e-01 9.196e-02 4.683e-02 / CHEB/ 1.363e-01 5.765e-02 3.322e-02 1.476e-02 / CHEB/ 7.343e-03 1.341e-02 6.991e-03 2.297e-03 / CHEB/ -1.715e-02 -1.173e-02 -3.907e-03 6.149e-04 /

3448.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.6	-2.3	+1.0	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-2.5	+0.9	+2.6

Chebyshev(coeffs=[[-4.93636,-0.567849,-0.315558,-0.111564],[13.1079,0.366208,0.177166,0.0390843],[0.333849,0.0987948,0.071712,0.0389213],[0.0844002,0.0566833,0.0324896,0.0130768],[-0.00401017,0.0134385,0.00771123,0.0029213],[-0.0203692,-0.0114434,-0.00458148,1.28796e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.10
S298 (cal/mol*K) = 17.02
G298 (kcal/mol) = 33.03

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H8(703); H(25), C2H3(100); C7H10(18)+H(25)(+M)=>C2H3(100)+C5H8(703)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.936e+00 -5.678e-01 -3.156e-01 -1.116e-01 / CHEB/ 1.311e+01 3.662e-01 1.772e-01 3.908e-02 / CHEB/ 3.338e-01 9.879e-02 7.171e-02 3.892e-02 / CHEB/ 8.440e-02 5.668e-02 3.249e-02 1.308e-02 / CHEB/ -4.010e-03 1.344e-02 7.711e-03 2.921e-03 / CHEB/ -2.037e-02 -1.144e-02 -4.581e-03 1.288e-05 /

3449.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-1.8	+0.8	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-2.2	+0.7	+2.2

Chebyshev(coeffs=[[-1.98744,-0.911802,-0.432263,-0.107022],[9.31837,0.631263,0.23017,0.0062567],[0.698472,0.145877,0.112433,0.0511839],[0.132849,0.0613715,0.0369072,0.0190104],[-6.82551e-05,0.0150253,0.00715706,0.00253649],[-0.0214483,-0.0111448,-0.00291134,0.00087868]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.75
S298 (cal/mol*K) = -0.10
G298 (kcal/mol) = 20.78

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(704); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(704)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.987e+00 -9.118e-01 -4.323e-01 -1.070e-01 / CHEB/ 9.318e+00 6.313e-01 2.302e-01 6.257e-03 / CHEB/ 6.985e-01 1.459e-01 1.124e-01 5.118e-02 / CHEB/ 1.328e-01 6.137e-02 3.691e-02 1.901e-02 / CHEB/ -6.826e-05 1.503e-02 7.157e-03 2.536e-03 / CHEB/ -2.145e-02 -1.114e-02 -2.911e-03 8.787e-04 /

3450.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-1.9	+0.8	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-2.2	+0.6	+2.1

Chebyshev(coeffs=[[-2.03056,-0.913594,-0.433173,-0.107229],[9.3011,0.629222,0.229023,0.00579881],[0.695515,0.15124,0.11554,0.0524225],[0.133645,0.0630671,0.0377964,0.0192602],[0.000441093,0.0144255,0.00673563,0.00229779],[-0.0211898,-0.0122208,-0.00350153,0.000682922]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.75
S298 (cal/mol*K) = -0.10
G298 (kcal/mol) = 20.78

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(705); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(705)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.031e+00 -9.136e-01 -4.332e-01 -1.072e-01 / CHEB/ 9.301e+00 6.292e-01 2.290e-01 5.799e-03 / CHEB/ 6.955e-01 1.512e-01 1.155e-01 5.242e-02 / CHEB/ 1.336e-01 6.307e-02 3.780e-02 1.926e-02 / CHEB/ 4.411e-04 1.443e-02 6.736e-03 2.298e-03 / CHEB/ -2.119e-02 -1.222e-02 -3.502e-03 6.829e-04 /

3451.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.7	-4.1	-0.9	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-4.4	-1.0	+0.8

Chebyshev(coeffs=[[-5.93556,-0.689361,-0.360864,-0.111193],[12.0052,0.461322,0.201585,0.0284301],[0.588624,0.117561,0.0871409,0.0452377],[0.142101,0.0575983,0.0330555,0.0142493],[0.0105294,0.0134612,0.00719455,0.00242508],[-0.0159315,-0.0117287,-0.00408701,0.000503216]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.15
S298 (cal/mol*K) = 0.58
G298 (kcal/mol) = 31.98

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(706); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(706)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.936e+00 -6.894e-01 -3.609e-01 -1.112e-01 / CHEB/ 1.201e+01 4.613e-01 2.016e-01 2.843e-02 / CHEB/ 5.886e-01 1.176e-01 8.714e-02 4.524e-02 / CHEB/ 1.421e-01 5.760e-02 3.306e-02 1.425e-02 / CHEB/ 1.053e-02 1.346e-02 7.195e-03 2.425e-03 / CHEB/ -1.593e-02 -1.173e-02 -4.087e-03 5.032e-04 /

3452.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.6	+5.3	+5.4	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+4.5	+5.0	+5.2

Chebyshev(coeffs=[[10.1707,-1.60706,-0.516206,-0.0393485],[0.860324,0.873815,0.113702,-0.0671927],[0.148278,0.380435,0.175804,0.00501162],[0.0179532,0.136581,0.079071,0.0257353],[-0.0258069,0.0209419,0.0132169,0.0105889],[-0.0307114,-0.0106101,0.000586636,0.00224672]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -104.79
S298 (cal/mol*K) = -33.08
G298 (kcal/mol) = -94.93

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(707); H(25), C7H11(707); C7H10(18)+H(25)(+M)=>C7H11(707)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.017e+01 -1.607e+00 -5.162e-01 -3.935e-02 / CHEB/ 8.603e-01 8.738e-01 1.137e-01 -6.719e-02 / CHEB/ 1.483e-01 3.804e-01 1.758e-01 5.012e-03 / CHEB/ 1.795e-02 1.366e-01 7.907e-02 2.574e-02 / CHEB/ -2.581e-02 2.094e-02 1.322e-02 1.059e-02 / CHEB/ -3.071e-02 -1.061e-02 5.866e-04 2.247e-03 /

3453.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.1	+4.7	+4.8	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+3.9	+4.4	+4.5

Chebyshev(coeffs=[[9.63702,-1.61318,-0.517817,-0.0392176],[0.813299,0.86759,0.111007,-0.0674953],[0.123253,0.38028,0.174583,0.00418242],[0.006634,0.138295,0.0790375,0.0251847],[-0.0307202,0.0222383,0.0135372,0.0104448],[-0.0323634,-0.00995595,0.000858953,0.00225554]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -67.10
S298 (cal/mol*K) = -33.03
G298 (kcal/mol) = -57.26

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(708); H(25), C7H11(708); C7H10(18)+H(25)(+M)=>C7H11(708)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.637e+00 -1.613e+00 -5.178e-01 -3.922e-02 / CHEB/ 8.133e-01 8.676e-01 1.110e-01 -6.750e-02 / CHEB/ 1.233e-01 3.803e-01 1.746e-01 4.182e-03 / CHEB/ 6.634e-03 1.383e-01 7.904e-02 2.518e-02 / CHEB/ -3.072e-02 2.224e-02 1.354e-02 1.044e-02 / CHEB/ -3.236e-02 -9.956e-03 8.590e-04 2.256e-03 /

3454.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.1	-5.6	-2.4	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-5.9	-2.5	-0.7

Chebyshev(coeffs=[[-7.30356,-0.699353,-0.363494,-0.110239],[11.8043,0.476114,0.205793,0.0275189],[0.617134,0.117012,0.0880323,0.0459963],[0.151361,0.0557485,0.0321436,0.0142085],[0.0178337,0.0126162,0.00667816,0.00222735],[-0.0137769,-0.011947,-0.00417445,0.000465235]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.15
S298 (cal/mol*K) = -2.34
G298 (kcal/mol) = 31.85

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(709); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(709)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.304e+00 -6.994e-01 -3.635e-01 -1.102e-01 / CHEB/ 1.180e+01 4.761e-01 2.058e-01 2.752e-02 / CHEB/ 6.171e-01 1.170e-01 8.803e-02 4.600e-02 / CHEB/ 1.514e-01 5.575e-02 3.214e-02 1.421e-02 / CHEB/ 1.783e-02 1.262e-02 6.678e-03 2.227e-03 / CHEB/ -1.378e-02 -1.195e-02 -4.174e-03 4.652e-04 /

3455.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.8	+3.6	+4.0	+3.8
log₁₀(k(10 bar)/[mole,m,s])	+1.3	+3.4	+4.1	+4.3

Chebyshev(coeffs=[[7.79856,-0.357701,-0.249317,0.0256539],[1.98585,0.890915,-0.105706,-0.0223084],[-0.0122763,0.414829,-0.0224685,-0.0292306],[-0.11969,0.224068,0.0095899,-0.0139286],[-0.081064,0.0902968,0.0241208,-0.00984889],[-0.0755017,0.0148032,0.0257604,-0.00457529]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.68
S298 (cal/mol*K) = -5.60
G298 (kcal/mol) = -8.01

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(393); H(25), C7H11(393); C7H10(65)+H(25)(+M)=>C7H11(393)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.799e+00 -3.577e-01 -2.493e-01 2.565e-02 / CHEB/ 1.986e+00 8.909e-01 -1.057e-01 -2.231e-02 / CHEB/ -1.228e-02 4.148e-01 -2.247e-02 -2.923e-02 / CHEB/ -1.197e-01 2.241e-01 9.590e-03 -1.393e-02 / CHEB/ -8.106e-02 9.030e-02 2.412e-02 -9.849e-03 / CHEB/ -7.550e-02 1.480e-02 2.576e-02 -4.575e-03 /

3456.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	+3.3	+5.2	+5.8
log₁₀(k(10 bar)/[mole,m,s])	-4.0	+2.4	+4.7	+5.6

Chebyshev(coeffs=[[3.56767,-1.66383,-0.326169,0.0167497],[8.09258,0.731183,0.00437456,-0.0406701],[0.150859,0.353421,0.0305033,-0.0353692],[-0.0374112,0.193647,0.0427174,-0.0133522],[-0.0855047,0.0618141,0.0406974,-0.000229742],[-0.0717925,-0.00563884,0.0235084,0.00659517]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.07
S298 (cal/mol*K) = 31.59
G298 (kcal/mol) = 10.66

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C5H7(103); H(25), C2H4(115); C7H10(65)+H(25)(+M)=>C2H4(115)+C5H7(103)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.568e+00 -1.664e+00 -3.262e-01 1.675e-02 / CHEB/ 8.093e+00 7.312e-01 4.375e-03 -4.067e-02 / CHEB/ 1.509e-01 3.534e-01 3.050e-02 -3.537e-02 / CHEB/ -3.741e-02 1.936e-01 4.272e-02 -1.335e-02 / CHEB/ -8.550e-02 6.181e-02 4.070e-02 -2.297e-04 / CHEB/ -7.179e-02 -5.639e-03 2.351e-02 6.595e-03 /

3457.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.9	+3.9	+5.4	+5.8
log₁₀(k(10 bar)/[mole,m,s])	-2.2	+2.8	+4.8	+5.5

Chebyshev(coeffs=[[5.55328,-1.892,-0.297691,0.0231098],[5.89277,0.86964,-0.0327785,-0.041629],[0.297878,0.374366,0.0174422,-0.0339007],[-0.0254161,0.196691,0.0384173,-0.0151993],[-0.0887472,0.0687889,0.040918,-0.00376753],[-0.0764884,-0.000809722,0.026446,0.00415967]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.15
S298 (cal/mol*K) = -8.08
G298 (kcal/mol) = -28.74

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(394); H(25), C7H11(394); C7H10(65)+H(25)(+M)=>C7H11(394)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.553e+00 -1.892e+00 -2.977e-01 2.311e-02 / CHEB/ 5.893e+00 8.696e-01 -3.278e-02 -4.163e-02 / CHEB/ 2.979e-01 3.744e-01 1.744e-02 -3.390e-02 / CHEB/ -2.542e-02 1.967e-01 3.842e-02 -1.520e-02 / CHEB/ -8.875e-02 6.879e-02 4.092e-02 -3.768e-03 / CHEB/ -7.649e-02 -8.097e-04 2.645e-02 4.160e-03 /

3458.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	+1.0	+3.2	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-7.5	+0.1	+2.8	+3.9

Chebyshev(coeffs=[[0.0399911,-1.49184,-0.338035,0.0126327],[9.90384,0.650914,0.0283575,-0.0428243],[0.116485,0.335271,0.0444463,-0.0336869],[-0.0345448,0.189937,0.0469118,-0.0108487],[-0.0771652,0.0550413,0.0397957,0.00325996],[-0.0651432,-0.0105082,0.0206092,0.00859886]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.28
S298 (cal/mol*K) = -2.06
G298 (kcal/mol) = -6.66

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(395); H(25), C7H11(395); C7H10(65)+H(25)(+M)=>C7H11(395)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.999e-02 -1.492e+00 -3.380e-01 1.263e-02 / CHEB/ 9.904e+00 6.509e-01 2.836e-02 -4.282e-02 / CHEB/ 1.165e-01 3.353e-01 4.445e-02 -3.369e-02 / CHEB/ -3.454e-02 1.899e-01 4.691e-02 -1.085e-02 / CHEB/ -7.717e-02 5.504e-02 3.980e-02 3.260e-03 / CHEB/ -6.514e-02 -1.051e-02 2.061e-02 8.599e-03 /

3459.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+4.7	+5.8	+6.1
log₁₀(k(10 bar)/[mole,m,s])	-0.3	+3.6	+5.2	+5.8

Chebyshev(coeffs=[[7.52645,-2.06936,-0.268504,0.0288066],[4.16436,0.940797,-0.0720625,-0.0415234],[0.333142,0.388842,0.00723602,-0.0329556],[-0.0316256,0.203993,0.0311364,-0.0154612],[-0.093169,0.0758603,0.0385648,-0.00646673],[-0.0818091,0.00376363,0.0282376,0.00138684]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.28
S298 (cal/mol*K) = -2.06
G298 (kcal/mol) = -6.66

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(396); H(25), C7H11(396); C7H10(65)+H(25)(+M)=>C7H11(396)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.526e+00 -2.069e+00 -2.685e-01 2.881e-02 / CHEB/ 4.164e+00 9.408e-01 -7.206e-02 -4.152e-02 / CHEB/ 3.331e-01 3.888e-01 7.236e-03 -3.296e-02 / CHEB/ -3.163e-02 2.040e-01 3.114e-02 -1.546e-02 / CHEB/ -9.317e-02 7.586e-02 3.856e-02 -6.467e-03 / CHEB/ -8.181e-02 3.764e-03 2.824e-02 1.387e-03 /

3460.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	+0.8	+3.0	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-0.1	+2.5	+3.6

Chebyshev(coeffs=[[0.20324,-1.53403,-0.334482,0.0135823],[9.45424,0.679251,0.0232426,-0.0423649],[0.152719,0.340486,0.0420766,-0.0342554],[-0.0284846,0.190343,0.0466197,-0.0112621],[-0.07714,0.0562424,0.0403396,0.00261667],[-0.0658251,-0.00971505,0.0213127,0.00830111]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.28
S298 (cal/mol*K) = -2.06
G298 (kcal/mol) = -6.66

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(397); H(25), C7H11(397); C7H10(65)+H(25)(+M)=>C7H11(397)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.032e-01 -1.534e+00 -3.345e-01 1.358e-02 / CHEB/ 9.454e+00 6.793e-01 2.324e-02 -4.236e-02 / CHEB/ 1.527e-01 3.405e-01 4.208e-02 -3.426e-02 / CHEB/ -2.848e-02 1.903e-01 4.662e-02 -1.126e-02 / CHEB/ -7.714e-02 5.624e-02 4.034e-02 2.617e-03 / CHEB/ -6.583e-02 -9.715e-03 2.131e-02 8.301e-03 /

3461.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-0.6	+1.8	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-1.4	+1.4	+2.7

Chebyshev(coeffs=[[-1.50227,-1.48998,-0.332445,0.0121357],[9.98671,0.696786,0.0323157,-0.0433683],[0.275203,0.336767,0.0501041,-0.0330911],[0.00197917,0.185713,0.0503609,-0.00932823],[-0.065196,0.0517295,0.04057,0.00456621],[-0.0593765,-0.0129991,0.0199384,0.00946365]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.08
S298 (cal/mol*K) = -2.48
G298 (kcal/mol) = -4.34

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(398); H(25), C7H11(398); C7H10(65)+H(25)(+M)=>C7H11(398)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.502e+00 -1.490e+00 -3.324e-01 1.214e-02 / CHEB/ 9.987e+00 6.968e-01 3.232e-02 -4.337e-02 / CHEB/ 2.752e-01 3.368e-01 5.010e-02 -3.309e-02 / CHEB/ 1.979e-03 1.857e-01 5.036e-02 -9.328e-03 / CHEB/ -6.520e-02 5.173e-02 4.057e-02 4.566e-03 / CHEB/ -5.938e-02 -1.300e-02 1.994e-02 9.464e-03 /

3462.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.7	-4.8	-0.3	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-20.3	-5.2	-0.5	+1.6

Chebyshev(coeffs=[[-13.116,-0.695464,-0.310042,-0.0522838],[21.2892,0.275626,0.102783,-0.00220138],[-0.33495,0.21274,0.080684,-2.14838e-05],[-0.125897,0.126228,0.0500184,0.00374664],[-0.0732742,0.0142725,0.016806,0.0111851],[-0.0456575,-0.0247668,-0.000481396,0.00837118]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.78
S298 (cal/mol*K) = 38.22
G298 (kcal/mol) = 60.39

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C5H8(399); H(25), C2H3(100); C7H10(65)+H(25)(+M)=>C2H3(100)+C5H8(399)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.312e+01 -6.955e-01 -3.100e-01 -5.228e-02 / CHEB/ 2.129e+01 2.756e-01 1.028e-01 -2.201e-03 / CHEB/ -3.349e-01 2.127e-01 8.068e-02 -2.148e-05 / CHEB/ -1.259e-01 1.262e-01 5.002e-02 3.747e-03 / CHEB/ -7.327e-02 1.427e-02 1.681e-02 1.119e-02 / CHEB/ -4.566e-02 -2.477e-02 -4.814e-04 8.371e-03 /

3463.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.2	-6.2	-0.6	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-24.6	-6.5	-0.8	+1.9

Chebyshev(coeffs=[[-17.2471,-0.520623,-0.262637,-0.0684744],[25.6156,0.20286,0.0935856,0.0148861],[-0.287405,0.17004,0.0756912,0.0100591],[-0.110089,0.102258,0.0459769,0.00734311],[-0.0624648,0.00672131,0.0100714,0.0086878],[-0.0379118,-0.0241834,-0.00490369,0.00513992]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 85.15
S298 (cal/mol*K) = 41.04
G298 (kcal/mol) = 72.92

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C5H7(103); H(25), C2H4(72); C7H10(65)+H(25)(+M)=>C5H7(103)+C2H4(72)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.725e+01 -5.206e-01 -2.626e-01 -6.847e-02 / CHEB/ 2.562e+01 2.029e-01 9.359e-02 1.489e-02 / CHEB/ -2.874e-01 1.700e-01 7.569e-02 1.006e-02 / CHEB/ -1.101e-01 1.023e-01 4.598e-02 7.343e-03 / CHEB/ -6.246e-02 6.721e-03 1.007e-02 8.688e-03 / CHEB/ -3.791e-02 -2.418e-02 -4.904e-03 5.140e-03 /

3464.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.6	-11.4	-5.0	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-31.9	-11.7	-5.1	-2.0

Chebyshev(coeffs=[[-24.2875,-0.432061,-0.231243,-0.072002],[28.6035,0.164889,0.083439,0.0205533],[-0.166095,0.145931,0.0700802,0.0141083],[-0.0741,0.089357,0.0428581,0.00899851],[-0.0477965,0.00398109,0.00707589,0.00685783],[-0.0306597,-0.0229415,-0.00655882,0.00316337]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 93.82
S298 (cal/mol*K) = 28.77
G298 (kcal/mol) = 85.25

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(87); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(87)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.429e+01 -4.321e-01 -2.312e-01 -7.200e-02 / CHEB/ 2.860e+01 1.649e-01 8.344e-02 2.055e-02 / CHEB/ -1.661e-01 1.459e-01 7.008e-02 1.411e-02 / CHEB/ -7.410e-02 8.936e-02 4.286e-02 8.999e-03 / CHEB/ -4.780e-02 3.981e-03 7.076e-03 6.858e-03 / CHEB/ -3.066e-02 -2.294e-02 -6.559e-03 3.163e-03 /

3465.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.6	-11.4	-5.0	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-31.9	-11.7	-5.1	-2.0

H298 (kcal/mol) = 93.82
S298 (cal/mol*K) = 28.77
G298 (kcal/mol) = 85.25

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(85); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(85)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.429e+01 -4.321e-01 -2.312e-01 -7.200e-02 / CHEB/ 2.860e+01 1.649e-01 8.344e-02 2.055e-02 / CHEB/ -1.661e-01 1.459e-01 7.008e-02 1.411e-02 / CHEB/ -7.410e-02 8.936e-02 4.286e-02 8.999e-03 / CHEB/ -4.780e-02 3.981e-03 7.076e-03 6.858e-03 / CHEB/ -3.066e-02 -2.294e-02 -6.559e-03 3.163e-03 /

3466.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.6	-11.4	-5.0	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-31.9	-11.7	-5.1	-2.0

H298 (kcal/mol) = 93.82
S298 (cal/mol*K) = 28.77
G298 (kcal/mol) = 85.25

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(86); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(86)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.429e+01 -4.321e-01 -2.312e-01 -7.200e-02 / CHEB/ 2.860e+01 1.649e-01 8.344e-02 2.055e-02 / CHEB/ -1.661e-01 1.459e-01 7.008e-02 1.411e-02 / CHEB/ -7.410e-02 8.936e-02 4.286e-02 8.999e-03 / CHEB/ -4.780e-02 3.981e-03 7.076e-03 6.858e-03 / CHEB/ -3.066e-02 -2.294e-02 -6.559e-03 3.163e-03 /

3467.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.6	-10.9	-4.3	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-31.9	-11.1	-4.4	-1.1

Chebyshev(coeffs=[[-24.2022,-0.411226,-0.223123,-0.0721901],[29.3285,0.15588,0.0805259,0.021446],[-0.144035,0.140013,0.0684309,0.0148919],[-0.0676673,0.0862261,0.0420003,0.00935522],[-0.0449873,0.00344581,0.00642407,0.00639127],[-0.0291664,-0.0225447,-0.00687584,0.00268148]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.02
S298 (cal/mol*K) = 28.35
G298 (kcal/mol) = 87.58

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(88); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(88)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.420e+01 -4.112e-01 -2.231e-01 -7.219e-02 / CHEB/ 2.933e+01 1.559e-01 8.053e-02 2.145e-02 / CHEB/ -1.440e-01 1.400e-01 6.843e-02 1.489e-02 / CHEB/ -6.767e-02 8.623e-02 4.200e-02 9.355e-03 / CHEB/ -4.499e-02 3.446e-03 6.424e-03 6.391e-03 / CHEB/ -2.917e-02 -2.254e-02 -6.876e-03 2.681e-03 /

3468.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.6	+2.3	+4.0	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-3.9	+1.3	+3.4	+4.3

Chebyshev(coeffs=[[3.88367,-1.86833,-0.31311,0.0132111],[6.18874,0.852352,-0.0440592,-0.0570503],[0.321249,0.382159,0.0127905,-0.0433518],[0.0192165,0.201894,0.0430193,-0.0164501],[-0.062953,0.068586,0.0480067,0.000552087],[-0.0656569,-0.00407432,0.031488,0.0102851]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.56
S298 (cal/mol*K) = -7.74
G298 (kcal/mol) = -10.25

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(292); H(25), C7H11(292); C7H10(65)+H(25)(+M)=>C7H11(292)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.884e+00 -1.868e+00 -3.131e-01 1.321e-02 / CHEB/ 6.189e+00 8.524e-01 -4.406e-02 -5.705e-02 / CHEB/ 3.212e-01 3.822e-01 1.279e-02 -4.335e-02 / CHEB/ 1.922e-02 2.019e-01 4.302e-02 -1.645e-02 / CHEB/ -6.295e-02 6.859e-02 4.801e-02 5.521e-04 / CHEB/ -6.566e-02 -4.074e-03 3.149e-02 1.029e-02 /

3469.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.4	-6.4	-1.1	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-23.9	-6.7	-1.2	+1.3

Chebyshev(coeffs=[[-16.4301,-0.608048,-0.301268,-0.0770214],[24.0493,0.232374,0.0950348,0.00455605],[-0.158133,0.185903,0.0834596,0.0133332],[-0.0868046,0.114923,0.0548859,0.0129034],[-0.0689277,0.0131428,0.0159224,0.0119509],[-0.0492361,-0.0231855,-0.00386642,0.00530711]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.24
S298 (cal/mol*K) = 32.58
G298 (kcal/mol) = 60.53

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C6H9(400); H(25), CH2(T)(82); C7H10(65)+H(25)(+M)=>CH2(T)(82)+C6H9(400)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.643e+01 -6.080e-01 -3.013e-01 -7.702e-02 / CHEB/ 2.405e+01 2.324e-01 9.503e-02 4.556e-03 / CHEB/ -1.581e-01 1.859e-01 8.346e-02 1.333e-02 / CHEB/ -8.680e-02 1.149e-01 5.489e-02 1.290e-02 / CHEB/ -6.893e-02 1.314e-02 1.592e-02 1.195e-02 / CHEB/ -4.924e-02 -2.319e-02 -3.866e-03 5.307e-03 /

3470.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.0	-12.4	-5.8	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-33.4	-12.7	-5.9	-2.7

Chebyshev(coeffs=[[-25.6672,-0.41326,-0.223704,-0.071911],[29.21,0.161474,0.0829667,0.0216941],[-0.108631,0.140391,0.0687222,0.0150797],[-0.057947,0.0854363,0.0417181,0.00941663],[-0.0417494,0.00267293,0.00614239,0.0064166],[-0.0279015,-0.0229078,-0.00707112,0.0026157]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 95.02
S298 (cal/mol*K) = 25.73
G298 (kcal/mol) = 87.36

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(401); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(401)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.567e+01 -4.133e-01 -2.237e-01 -7.191e-02 / CHEB/ 2.921e+01 1.615e-01 8.297e-02 2.169e-02 / CHEB/ -1.086e-01 1.404e-01 6.872e-02 1.508e-02 / CHEB/ -5.795e-02 8.544e-02 4.172e-02 9.417e-03 / CHEB/ -4.175e-02 2.673e-03 6.142e-03 6.417e-03 / CHEB/ -2.790e-02 -2.291e-02 -7.071e-03 2.616e-03 /

3473.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.2	+4.2	+4.5	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+0.7	+3.3	+4.0	+4.2

Chebyshev(coeffs=[[7.78315,-2.16228,-0.56082,-0.0198055],[2.6219,1.43013,0.144812,-0.0811863],[0.0194423,0.223892,0.129891,-5.0718e-05],[-0.137464,0.0400474,0.0405924,0.0186037],[-0.0576689,0.0415181,0.00549298,0.00321643],[-0.030596,0.0252732,0.00709436,-0.00227602]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.30
S298 (cal/mol*K) = 3.64
G298 (kcal/mol) = -9.38

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(482); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(482)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.783e+00 -2.162e+00 -5.608e-01 -1.981e-02 / CHEB/ 2.622e+00 1.430e+00 1.448e-01 -8.119e-02 / CHEB/ 1.944e-02 2.239e-01 1.299e-01 -5.072e-05 / CHEB/ -1.375e-01 4.005e-02 4.059e-02 1.860e-02 / CHEB/ -5.767e-02 4.152e-02 5.493e-03 3.216e-03 / CHEB/ -3.060e-02 2.527e-02 7.094e-03 -2.276e-03 /

3474.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	+0.1	+2.6	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-0.4	+2.3	+3.7

Chebyshev(coeffs=[[0.417024,-1.03973,-0.487766,-0.125092],[8.45335,0.631879,0.249741,0.0321738],[0.698232,0.0667385,0.0414453,0.0172409],[0.102919,0.101399,0.0439681,0.00664783],[0.000907098,0.0749507,0.0362057,0.00807575],[-0.0233,0.0130538,0.0119273,0.00636124]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.16
S298 (cal/mol*K) = -8.51
G298 (kcal/mol) = 17.69

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(483); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(483)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.170e-01 -1.040e+00 -4.878e-01 -1.251e-01 / CHEB/ 8.453e+00 6.319e-01 2.497e-01 3.217e-02 / CHEB/ 6.982e-01 6.674e-02 4.145e-02 1.724e-02 / CHEB/ 1.029e-01 1.014e-01 4.397e-02 6.648e-03 / CHEB/ 9.071e-04 7.495e-02 3.621e-02 8.076e-03 / CHEB/ -2.330e-02 1.305e-02 1.193e-02 6.361e-03 /

3475.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.5	+6.0	+6.0	+5.7
log₁₀(k(10 bar)/[mole,m,s])	+2.9	+5.0	+5.4	+5.5

Chebyshev(coeffs=[[9.88169,-2.25755,-0.564152,-0.0145354],[1.98198,1.41148,0.121596,-0.081625],[-0.126135,0.261009,0.12512,-0.00731351],[-0.167049,0.0552758,0.0452149,0.016823],[-0.0654976,0.0408797,0.00663924,0.00464766],[-0.0326778,0.023666,0.00582952,-0.00204664]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.06
S298 (cal/mol*K) = 13.65
G298 (kcal/mol) = -21.13

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C6H8(484); H(25), CH3(425); C7H10(65)+H(25)(+M)=>C6H8(484)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.882e+00 -2.258e+00 -5.642e-01 -1.454e-02 / CHEB/ 1.982e+00 1.411e+00 1.216e-01 -8.163e-02 / CHEB/ -1.261e-01 2.610e-01 1.251e-01 -7.314e-03 / CHEB/ -1.670e-01 5.528e-02 4.521e-02 1.682e-02 / CHEB/ -6.550e-02 4.088e-02 6.639e-03 4.648e-03 / CHEB/ -3.268e-02 2.367e-02 5.830e-03 -2.047e-03 /

3476.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.7	+4.3	+4.4	+4.2
log₁₀(k(10 bar)/[mole,m,s])	+1.1	+3.4	+3.9	+3.9

Chebyshev(coeffs=[[8.13496,-2.23099,-0.563573,-0.0160806],[2.15962,1.41646,0.127652,-0.0816844],[-0.0876933,0.249586,0.126417,-0.00530601],[-0.16092,0.0504229,0.043845,0.0173585],[-0.064401,0.041073,0.00621755,0.00422044],[-0.0325405,0.0242567,0.00616694,-0.00215422]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -40.76
S298 (cal/mol*K) = -16.05
G298 (kcal/mol) = -35.97

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(485); H(25), C7H11(485); C7H10(65)+H(25)(+M)=>C7H11(485)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.135e+00 -2.231e+00 -5.636e-01 -1.608e-02 / CHEB/ 2.160e+00 1.416e+00 1.277e-01 -8.168e-02 / CHEB/ -8.769e-02 2.496e-01 1.264e-01 -5.306e-03 / CHEB/ -1.609e-01 5.042e-02 4.384e-02 1.736e-02 / CHEB/ -6.440e-02 4.107e-02 6.218e-03 4.220e-03 / CHEB/ -3.254e-02 2.426e-02 6.167e-03 -2.154e-03 /

3477.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	-0.5	+1.0	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-1.1	+0.7	+1.4

Chebyshev(coeffs=[[0.197604,-1.34417,-0.558643,-0.0957906],[7.34337,0.865676,0.281317,-0.00455256],[0.0370947,0.107385,0.0736483,0.0259801],[-0.080829,0.0475621,0.0193449,0.00609058],[-0.0463775,0.0573412,0.0165183,-0.00285819],[-0.0292042,0.0250795,0.0133425,0.00169038]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.26
S298 (cal/mol*K) = -19.48
G298 (kcal/mol) = -22.45

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(486); H(25), C7H11(486); C7H10(65)+H(25)(+M)=>C7H11(486)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.976e-01 -1.344e+00 -5.586e-01 -9.579e-02 / CHEB/ 7.343e+00 8.657e-01 2.813e-01 -4.553e-03 / CHEB/ 3.709e-02 1.074e-01 7.365e-02 2.598e-02 / CHEB/ -8.083e-02 4.756e-02 1.934e-02 6.091e-03 / CHEB/ -4.638e-02 5.734e-02 1.652e-02 -2.858e-03 / CHEB/ -2.920e-02 2.508e-02 1.334e-02 1.690e-03 /

3478.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.8	+3.5	+3.7	+3.5
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+2.6	+3.1	+3.2

Chebyshev(coeffs=[[7.24348,-2.21786,-0.564369,-0.0170094],[2.31793,1.41346,0.129966,-0.0817414],[-0.0640818,0.241639,0.126378,-0.00427152],[-0.158844,0.0485306,0.0428072,0.0174779],[-0.0643661,0.0418277,0.00600556,0.00389074],[-0.0326731,0.0247452,0.00637663,-0.00223611]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -38.81
S298 (cal/mol*K) = -16.85
G298 (kcal/mol) = -33.78

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(487); H(25), C7H11(487); C7H10(65)+H(25)(+M)=>C7H11(487)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.243e+00 -2.218e+00 -5.644e-01 -1.701e-02 / CHEB/ 2.318e+00 1.413e+00 1.300e-01 -8.174e-02 / CHEB/ -6.408e-02 2.416e-01 1.264e-01 -4.272e-03 / CHEB/ -1.588e-01 4.853e-02 4.281e-02 1.748e-02 / CHEB/ -6.437e-02 4.183e-02 6.006e-03 3.891e-03 / CHEB/ -3.267e-02 2.475e-02 6.377e-03 -2.236e-03 /

3479.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	-0.4	+0.6	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-5.1	-1.0	+0.2	+0.7

Chebyshev(coeffs=[[1.86467,-1.7591,-0.579426,-0.0487992],[4.88984,1.211,0.24074,-0.0617467],[0.118957,0.132609,0.107028,0.0231947],[-0.105357,0.0330283,0.023746,0.0143437],[-0.0533918,0.0524581,0.00919636,-0.00223498],[-0.0306657,0.0274591,0.011703,-0.000953977]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.26
S298 (cal/mol*K) = -19.48
G298 (kcal/mol) = -22.45

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(488); H(25), C7H11(488); C7H10(65)+H(25)(+M)=>C7H11(488)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.865e+00 -1.759e+00 -5.794e-01 -4.880e-02 / CHEB/ 4.890e+00 1.211e+00 2.407e-01 -6.175e-02 / CHEB/ 1.190e-01 1.326e-01 1.070e-01 2.319e-02 / CHEB/ -1.054e-01 3.303e-02 2.375e-02 1.434e-02 / CHEB/ -5.339e-02 5.246e-02 9.196e-03 -2.235e-03 / CHEB/ -3.067e-02 2.746e-02 1.170e-02 -9.540e-04 /

3480.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.3	+5.1	+4.8	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+2.6	+4.1	+4.2	+4.0

Chebyshev(coeffs=[[9.45726,-2.37203,-0.567095,-0.00771979],[1.21827,1.37444,0.0970855,-0.0799127],[-0.312764,0.310527,0.11818,-0.0154595],[-0.195996,0.0841768,0.050582,0.013755],[-0.0676137,0.0436904,0.00927348,0.00618826],[-0.031578,0.0209193,0.00477875,-0.00136014]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.26
S298 (cal/mol*K) = -25.10
G298 (kcal/mol) = -44.78

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(489); H(25), C7H11(489); C7H10(65)+H(25)(+M)=>C7H11(489)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.457e+00 -2.372e+00 -5.671e-01 -7.720e-03 / CHEB/ 1.218e+00 1.374e+00 9.709e-02 -7.991e-02 / CHEB/ -3.128e-01 3.105e-01 1.182e-01 -1.546e-02 / CHEB/ -1.960e-01 8.418e-02 5.058e-02 1.376e-02 / CHEB/ -6.761e-02 4.369e-02 9.273e-03 6.188e-03 / CHEB/ -3.158e-02 2.092e-02 4.779e-03 -1.360e-03 /

3481.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	-0.2	+1.1	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-6.0	-0.7	+0.7	+1.3

Chebyshev(coeffs=[[0.501085,-1.23928,-0.543475,-0.108531],[7.20654,0.760175,0.273365,0.0120578],[-0.205403,0.106239,0.0668773,0.0238343],[-0.135921,0.0539431,0.0200351,0.00405472],[-0.0642078,0.0581916,0.0182187,-0.00249219],[-0.0359355,0.0242149,0.0133352,0.00227326]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.70
S298 (cal/mol*K) = 9.34
G298 (kcal/mol) = 19.92

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C6H8(490); H(25), CH3(425); C7H10(65)+H(25)(+M)=>CH3(425)+C6H8(490)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.011e-01 -1.239e+00 -5.435e-01 -1.085e-01 / CHEB/ 7.207e+00 7.602e-01 2.734e-01 1.206e-02 / CHEB/ -2.054e-01 1.062e-01 6.688e-02 2.383e-02 / CHEB/ -1.359e-01 5.394e-02 2.004e-02 4.055e-03 / CHEB/ -6.421e-02 5.819e-02 1.822e-02 -2.492e-03 / CHEB/ -3.594e-02 2.421e-02 1.334e-02 2.273e-03 /

3482.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.1	-4.0	-1.9	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-4.5	-2.2	-1.2

Chebyshev(coeffs=[[-5.03638,-0.968277,-0.47464,-0.129631],[10.0636,0.538896,0.235846,0.0439899],[-0.0826875,0.0852732,0.0507257,0.0197649],[-0.0770579,0.0665121,0.0235983,0.00046086],[-0.0402705,0.060274,0.0227732,-0.000601806],[-0.0267757,0.020603,0.0127431,0.00395475]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.39
S298 (cal/mol*K) = -1.37
G298 (kcal/mol) = 31.80

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(491); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(491)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.036e+00 -9.683e-01 -4.746e-01 -1.296e-01 / CHEB/ 1.006e+01 5.389e-01 2.358e-01 4.399e-02 / CHEB/ -8.269e-02 8.527e-02 5.073e-02 1.976e-02 / CHEB/ -7.706e-02 6.651e-02 2.360e-02 4.609e-04 / CHEB/ -4.027e-02 6.027e-02 2.277e-02 -6.018e-04 / CHEB/ -2.678e-02 2.060e-02 1.274e-02 3.955e-03 /

3483.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.7	-5.7	-2.7	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-16.0	-6.0	-2.9	-1.5

Chebyshev(coeffs=[[-9.32589,-0.567553,-0.316392,-0.119409],[14.166,0.229257,0.126731,0.0504193],[-0.218545,0.0581531,0.0292461,0.00881674],[-0.0924445,0.0765488,0.0322864,0.00247824],[-0.0374188,0.0560928,0.027703,0.00549209],[-0.0220186,0.0132055,0.00985283,0.0049719]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.19
S298 (cal/mol*K) = 6.76
G298 (kcal/mol) = 44.18

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(492); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(492)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.326e+00 -5.676e-01 -3.164e-01 -1.194e-01 / CHEB/ 1.417e+01 2.293e-01 1.267e-01 5.042e-02 / CHEB/ -2.185e-01 5.815e-02 2.925e-02 8.817e-03 / CHEB/ -9.244e-02 7.655e-02 3.229e-02 2.478e-03 / CHEB/ -3.742e-02 5.609e-02 2.770e-02 5.492e-03 / CHEB/ -2.202e-02 1.321e-02 9.853e-03 4.972e-03 /

3484.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-4.5	-2.2	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-4.9	-2.4	-1.3

Chebyshev(coeffs=[[-5.94998,-0.874396,-0.442929,-0.132161],[10.8394,0.471349,0.217967,0.0507846],[-0.0930307,0.0756026,0.04473,0.0179456],[-0.0773204,0.0696148,0.0253285,1.39808e-05],[-0.0383167,0.060452,0.0243695,0.000528798],[-0.0251761,0.0189122,0.0122697,0.00446284]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.74
S298 (cal/mol*K) = -1.49
G298 (kcal/mol) = 33.19

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(493); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(493)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.950e+00 -8.744e-01 -4.429e-01 -1.322e-01 / CHEB/ 1.084e+01 4.713e-01 2.180e-01 5.078e-02 / CHEB/ -9.303e-02 7.560e-02 4.473e-02 1.795e-02 / CHEB/ -7.732e-02 6.961e-02 2.533e-02 1.398e-05 / CHEB/ -3.832e-02 6.045e-02 2.437e-02 5.288e-04 / CHEB/ -2.518e-02 1.891e-02 1.227e-02 4.463e-03 /

3485.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.3	-8.0	-4.2	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-20.6	-8.3	-4.4	-2.5

Chebyshev(coeffs=[[-13.705,-0.393548,-0.228029,-0.0927443],[17.483,0.110794,0.0668423,0.0319805],[-0.212442,0.0510483,0.0221484,0.00306853],[-0.0841082,0.0717658,0.0341623,0.00662854],[-0.0315934,0.047151,0.0268146,0.0088851],[-0.016913,0.0089764,0.00763917,0.004579]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 56.74
S298 (cal/mol*K) = 4.13
G298 (kcal/mol) = 55.51

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(494); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(494)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.370e+01 -3.935e-01 -2.280e-01 -9.274e-02 / CHEB/ 1.748e+01 1.108e-01 6.684e-02 3.198e-02 / CHEB/ -2.124e-01 5.105e-02 2.215e-02 3.069e-03 / CHEB/ -8.411e-02 7.177e-02 3.416e-02 6.629e-03 / CHEB/ -3.159e-02 4.715e-02 2.681e-02 8.885e-03 / CHEB/ -1.691e-02 8.976e-03 7.639e-03 4.579e-03 /

3486.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.7	-6.9	-2.9	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-19.9	-7.2	-3.1	-1.1

Chebyshev(coeffs=[[-12.8408,-0.378108,-0.221186,-0.092217],[17.847,0.055125,0.0330484,0.017725],[-0.0515392,0.0565233,0.0245093,0.00300544],[-0.0443484,0.0910102,0.047308,0.0135134],[-0.0285747,0.0554113,0.0330971,0.0127553],[-0.0229006,0.00928038,0.00804562,0.00499068]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 56.74
S298 (cal/mol*K) = 4.13
G298 (kcal/mol) = 55.51

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(495); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(495)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.284e+01 -3.781e-01 -2.212e-01 -9.222e-02 / CHEB/ 1.785e+01 5.512e-02 3.305e-02 1.773e-02 / CHEB/ -5.154e-02 5.652e-02 2.451e-02 3.005e-03 / CHEB/ -4.435e-02 9.101e-02 4.731e-02 1.351e-02 / CHEB/ -2.857e-02 5.541e-02 3.310e-02 1.276e-02 / CHEB/ -2.290e-02 9.280e-03 8.046e-03 4.991e-03 /

3487.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	-0.2	+0.5	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-4.4	-0.9	+0.1	+0.4

Chebyshev(coeffs=[[2.58096,-1.91,-0.576406,-0.0364376],[3.96958,1.30251,0.205748,-0.07359],[0.0671137,0.151622,0.117726,0.016537],[-0.138691,0.0335612,0.0279438,0.0165731],[-0.0625736,0.0501853,0.00704741,-0.000967234],[-0.0332121,0.0275337,0.010395,-0.0017968]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.19
S298 (cal/mol*K) = -19.25
G298 (kcal/mol) = -8.46

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(496); H(25), C7H11(496); C7H10(65)+H(25)(+M)=>C7H11(496)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.581e+00 -1.910e+00 -5.764e-01 -3.644e-02 / CHEB/ 3.970e+00 1.303e+00 2.057e-01 -7.359e-02 / CHEB/ 6.711e-02 1.516e-01 1.177e-01 1.654e-02 / CHEB/ -1.387e-01 3.356e-02 2.794e-02 1.657e-02 / CHEB/ -6.257e-02 5.019e-02 7.047e-03 -9.672e-04 / CHEB/ -3.321e-02 2.753e-02 1.039e-02 -1.797e-03 /

3488.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.1	+2.9	+3.6	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+2.2	+3.1	+3.5

Chebyshev(coeffs=[[5.77667,-1.94875,-0.573662,-0.0337643],[3.83038,1.32905,0.195541,-0.075547],[0.0673965,0.155896,0.120998,0.0144858],[-0.138179,0.034177,0.029011,0.017154],[-0.0612063,0.0492762,0.00660952,-0.000542135],[-0.0331374,0.0274355,0.0100338,-0.0019646]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -33.76
S298 (cal/mol*K) = -12.24
G298 (kcal/mol) = -30.11

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(497); H(25), C7H11(497); C7H10(65)+H(25)(+M)=>C7H11(497)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.777e+00 -1.949e+00 -5.737e-01 -3.376e-02 / CHEB/ 3.830e+00 1.329e+00 1.955e-01 -7.555e-02 / CHEB/ 6.740e-02 1.559e-01 1.210e-01 1.449e-02 / CHEB/ -1.382e-01 3.418e-02 2.901e-02 1.715e-02 / CHEB/ -6.121e-02 4.928e-02 6.610e-03 -5.421e-04 / CHEB/ -3.314e-02 2.744e-02 1.003e-02 -1.965e-03 /

3489.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.3	-8.9	-5.1	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-21.5	-9.2	-5.3	-3.5

Chebyshev(coeffs=[[-14.6412,-0.392334,-0.227372,-0.0925068],[17.5027,0.110532,0.0666741,0.0318861],[-0.212033,0.0507178,0.0219543,0.00297646],[-0.0855787,0.0716226,0.0341307,0.0066586],[-0.032074,0.0470603,0.0268062,0.00892496],[-0.0169109,0.00893359,0.0076173,0.00457643]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 56.99
S298 (cal/mol*K) = 4.13
G298 (kcal/mol) = 55.76

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(498); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(498)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.464e+01 -3.923e-01 -2.274e-01 -9.251e-02 / CHEB/ 1.750e+01 1.105e-01 6.667e-02 3.189e-02 / CHEB/ -2.120e-01 5.072e-02 2.195e-02 2.976e-03 / CHEB/ -8.558e-02 7.162e-02 3.413e-02 6.659e-03 / CHEB/ -3.207e-02 4.706e-02 2.681e-02 8.925e-03 / CHEB/ -1.691e-02 8.934e-03 7.617e-03 4.576e-03 /

3490.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+4.1	+4.5	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+3.3	+4.0	+4.2

Chebyshev(coeffs=[[7.67666,-2.15333,-0.56083,-0.0203462],[2.68114,1.42967,0.146862,-0.0810912],[0.0290596,0.219949,0.130046,0.000643332],[-0.136246,0.0390485,0.0400452,0.01869],[-0.0574238,0.0418029,0.00542665,0.00304671],[-0.0305753,0.0254393,0.0072324,-0.00229169]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.77
S298 (cal/mol*K) = 2.82
G298 (kcal/mol) = -7.61

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(499); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(499)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.677e+00 -2.153e+00 -5.608e-01 -2.035e-02 / CHEB/ 2.681e+00 1.430e+00 1.469e-01 -8.109e-02 / CHEB/ 2.906e-02 2.199e-01 1.300e-01 6.433e-04 / CHEB/ -1.362e-01 3.905e-02 4.005e-02 1.869e-02 / CHEB/ -5.742e-02 4.180e-02 5.427e-03 3.047e-03 / CHEB/ -3.058e-02 2.544e-02 7.232e-03 -2.292e-03 /

3491.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+4.7	+5.0	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+3.9	+4.5	+4.7

Chebyshev(coeffs=[[8.30411,-2.1606,-0.56203,-0.0200908],[2.62898,1.42438,0.144467,-0.0812421],[0.00837407,0.221054,0.129234,8.54898e-05],[-0.143369,0.0404297,0.0401567,0.018466],[-0.0598901,0.0421746,0.00548187,0.00306919],[-0.031442,0.0254743,0.00715676,-0.0023109]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.43
S298 (cal/mol*K) = -5.42
G298 (kcal/mol) = -19.81

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(500); H(25), C7H11(500); C7H10(65)+H(25)(+M)=>C7H11(500)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.304e+00 -2.161e+00 -5.620e-01 -2.009e-02 / CHEB/ 2.629e+00 1.424e+00 1.445e-01 -8.124e-02 / CHEB/ 8.374e-03 2.211e-01 1.292e-01 8.549e-05 / CHEB/ -1.434e-01 4.043e-02 4.016e-02 1.847e-02 / CHEB/ -5.989e-02 4.217e-02 5.482e-03 3.069e-03 / CHEB/ -3.144e-02 2.547e-02 7.157e-03 -2.311e-03 /

3492.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.9	+2.1	+2.8	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-2.3	+1.3	+2.4	+2.8

Chebyshev(coeffs=[[4.7705,-1.91581,-0.573883,-0.0359392],[4.08901,1.31636,0.204125,-0.0738552],[0.102612,0.149785,0.119522,0.0164845],[-0.125932,0.0331023,0.0278668,0.0168791],[-0.0575089,0.049761,0.00694779,-0.000896634],[-0.0318855,0.0274717,0.0103932,-0.00180567]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -33.10
S298 (cal/mol*K) = -15.64
G298 (kcal/mol) = -28.43

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(501); H(25), C7H11(501); C7H10(65)+H(25)(+M)=>C7H11(501)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.771e+00 -1.916e+00 -5.739e-01 -3.594e-02 / CHEB/ 4.089e+00 1.316e+00 2.041e-01 -7.386e-02 / CHEB/ 1.026e-01 1.498e-01 1.195e-01 1.648e-02 / CHEB/ -1.259e-01 3.310e-02 2.787e-02 1.688e-02 / CHEB/ -5.751e-02 4.976e-02 6.948e-03 -8.966e-04 / CHEB/ -3.189e-02 2.747e-02 1.039e-02 -1.806e-03 /

3495.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.3	+4.8	+5.0	+5.0
log₁₀(k(10 bar)/[mole,m,s])	+3.7	+4.5	+4.8	+4.9

Chebyshev(coeffs=[[10.1712,-0.743332,-0.274998,-0.0411184],[0.662511,0.386559,0.107107,0.00495464],[0.128975,0.205648,0.0668304,-0.00849165],[0.0224142,0.0837504,0.0365955,0.00288191],[-0.0240489,-0.00223183,0.00944529,0.00948769],[-0.0240256,-0.0189718,-0.00134267,0.00526877]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -65.92
S298 (cal/mol*K) = -19.16
G298 (kcal/mol) = -60.21

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(482); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(482)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.017e+01 -7.433e-01 -2.750e-01 -4.112e-02 / CHEB/ 6.625e-01 3.866e-01 1.071e-01 4.955e-03 / CHEB/ 1.290e-01 2.056e-01 6.683e-02 -8.492e-03 / CHEB/ 2.241e-02 8.375e-02 3.660e-02 2.882e-03 / CHEB/ -2.405e-02 -2.232e-03 9.445e-03 9.488e-03 / CHEB/ -2.403e-02 -1.897e-02 -1.343e-03 5.269e-03 /

3496.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+2.4	+3.7	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+2.1	+3.6	+4.6

Chebyshev(coeffs=[[6.94557,-0.674815,-0.256703,-0.0419065],[2.49271,0.425122,0.123877,0.0069248],[0.839162,0.185534,0.0725901,-0.000880397],[0.249569,0.0589539,0.0349892,0.00862011],[0.0421208,-0.0153942,0.00385461,0.0100277],[-0.00374012,-0.0230715,-0.00603079,0.00333458]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -42.46
S298 (cal/mol*K) = -31.31
G298 (kcal/mol) = -33.13

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(483); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(483)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.946e+00 -6.748e-01 -2.567e-01 -4.191e-02 / CHEB/ 2.493e+00 4.251e-01 1.239e-01 6.925e-03 / CHEB/ 8.392e-01 1.855e-01 7.259e-02 -8.804e-04 / CHEB/ 2.496e-01 5.895e-02 3.499e-02 8.620e-03 / CHEB/ 4.212e-02 -1.539e-02 3.855e-03 1.003e-02 / CHEB/ -3.740e-03 -2.307e-02 -6.031e-03 3.335e-03 /

3497.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.7	+6.0	+6.0	+5.9
log₁₀(k(10 bar)/[mole,m,s])	+5.1	+5.6	+5.8	+5.8

Chebyshev(coeffs=[[11.4427,-0.753254,-0.277656,-0.0410359],[0.399699,0.378996,0.104186,0.00468293],[0.019072,0.206758,0.0654038,-0.00953098],[-0.00883683,0.0867296,0.036323,0.00197018],[-0.0272379,-0.000182017,0.0099697,0.00922562],[-0.0251896,-0.0180261,-0.000698738,0.00541228]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -74.68
S298 (cal/mol*K) = -9.15
G298 (kcal/mol) = -71.96

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(484); H(25), CH3(425); C7H10(18)+H(25)(+M)=>C6H8(484)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.144e+01 -7.533e-01 -2.777e-01 -4.104e-02 / CHEB/ 3.997e-01 3.790e-01 1.042e-01 4.683e-03 / CHEB/ 1.907e-02 2.068e-01 6.540e-02 -9.531e-03 / CHEB/ -8.837e-03 8.673e-02 3.632e-02 1.970e-03 / CHEB/ -2.724e-02 -1.820e-04 9.970e-03 9.226e-03 / CHEB/ -2.519e-02 -1.803e-02 -6.987e-04 5.412e-03 /

3498.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.3	+4.6	+4.6	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+3.7	+4.2	+4.4	+4.5

Chebyshev(coeffs=[[10.032,-0.751353,-0.27717,-0.0410644],[0.429139,0.380357,0.104689,0.00471288],[0.0312376,0.20645,0.0656371,-0.00934464],[-0.000592981,0.086087,0.0363505,0.00213837],[-0.0210188,-0.000614835,0.00985509,0.00927186],[-0.0233365,-0.0182059,-0.000825412,0.00538108]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -98.38
S298 (cal/mol*K) = -38.85
G298 (kcal/mol) = -86.80

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(485); H(25), C7H11(485); C7H10(18)+H(25)(+M)=>C7H11(485)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.003e+01 -7.514e-01 -2.772e-01 -4.106e-02 / CHEB/ 4.291e-01 3.804e-01 1.047e-01 4.713e-03 / CHEB/ 3.124e-02 2.064e-01 6.564e-02 -9.345e-03 / CHEB/ -5.930e-04 8.609e-02 3.635e-02 2.138e-03 / CHEB/ -2.102e-02 -6.148e-04 9.855e-03 9.272e-03 / CHEB/ -2.334e-02 -1.821e-02 -8.254e-04 5.381e-03 /

3499.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.7	+2.0	+2.7	+3.0
log₁₀(k(10 bar)/[mole,m,s])	+0.1	+1.6	+2.5	+3.0

Chebyshev(coeffs=[[6.86457,-0.70653,-0.265869,-0.0418768],[1.58625,0.40503,0.114592,0.00539807],[0.455991,0.193454,0.0694161,-0.00474543],[0.113109,0.0704204,0.035926,0.00586195],[-0.0028062,-0.00877883,0.00674601,0.00980413],[-0.0199798,-0.0207279,-0.00365388,0.00430741]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -85.88
S298 (cal/mol*K) = -42.28
G298 (kcal/mol) = -73.28

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(486); H(25), C7H11(486); C7H10(18)+H(25)(+M)=>C7H11(486)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.865e+00 -7.065e-01 -2.659e-01 -4.188e-02 / CHEB/ 1.586e+00 4.050e-01 1.146e-01 5.398e-03 / CHEB/ 4.560e-01 1.935e-01 6.942e-02 -4.745e-03 / CHEB/ 1.131e-01 7.042e-02 3.593e-02 5.862e-03 / CHEB/ -2.806e-03 -8.779e-03 6.746e-03 9.804e-03 / CHEB/ -1.998e-02 -2.073e-02 -3.654e-03 4.307e-03 /

3500.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.8	+4.3	+4.3	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+3.0	+3.8	+4.1	+4.3

Chebyshev(coeffs=[[9.55073,-0.987258,-0.285805,-0.0230716],[0.617616,0.552531,0.0498947,-0.028937],[0.0744335,0.204597,0.0900686,-0.0100854],[0.00955932,0.0734646,0.0394071,0.00761227],[-0.00930386,0.0177763,0.00936506,0.00652837],[-0.0131144,0.00229477,0.00580539,0.00369064]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -96.43
S298 (cal/mol*K) = -39.65
G298 (kcal/mol) = -84.61

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(487); H(25), C7H11(487); C7H10(18)+H(25)(+M)=>C7H11(487)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.551e+00 -9.873e-01 -2.858e-01 -2.307e-02 / CHEB/ 6.176e-01 5.525e-01 4.989e-02 -2.894e-02 / CHEB/ 7.443e-02 2.046e-01 9.007e-02 -1.009e-02 / CHEB/ 9.559e-03 7.346e-02 3.941e-02 7.612e-03 / CHEB/ -9.304e-03 1.778e-02 9.365e-03 6.528e-03 / CHEB/ -1.311e-02 2.295e-03 5.805e-03 3.691e-03 /

3501.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+1.3	+1.7	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+0.9	+1.6	+1.9

Chebyshev(coeffs=[[6.393,-0.723825,-0.270146,-0.0415031],[1.1485,0.397405,0.11134,0.00518836],[0.307874,0.199845,0.0684273,-0.00652883],[0.0746609,0.0766651,0.0363872,0.0045071],[-0.011412,-0.00595503,0.00806553,0.00973328],[-0.0217739,-0.0201144,-0.00260912,0.00479867]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -85.88
S298 (cal/mol*K) = -42.28
G298 (kcal/mol) = -73.28

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(488); H(25), C7H11(488); C7H10(18)+H(25)(+M)=>C7H11(488)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.393e+00 -7.238e-01 -2.701e-01 -4.150e-02 / CHEB/ 1.148e+00 3.974e-01 1.113e-01 5.188e-03 / CHEB/ 3.079e-01 1.998e-01 6.843e-02 -6.529e-03 / CHEB/ 7.466e-02 7.667e-02 3.639e-02 4.507e-03 / CHEB/ -1.141e-02 -5.955e-03 8.066e-03 9.733e-03 / CHEB/ -2.177e-02 -2.011e-02 -2.609e-03 4.799e-03 /

3502.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.6	+2.4	+2.7	+2.9
log₁₀(k(10 bar)/[mole,m,s])	+1.0	+2.0	+2.6	+2.8

Chebyshev(coeffs=[[7.61842,-0.703889,-0.265357,-0.0420071],[0.902999,0.404879,0.114575,0.00532116],[0.303861,0.191644,0.0692703,-0.00452165],[0.0602289,0.0694939,0.0357631,0.00599948],[-0.024484,-0.00886866,0.00655806,0.00974125],[-0.0278284,-0.0205736,-0.00374778,0.00420749]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.92
S298 (cal/mol*K) = -13.46
G298 (kcal/mol) = -30.91

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(490); H(25), CH3(425); C7H10(18)+H(25)(+M)=>CH3(425)+C6H8(490)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.618e+00 -7.039e-01 -2.654e-01 -4.201e-02 / CHEB/ 9.030e-01 4.049e-01 1.146e-01 5.321e-03 / CHEB/ 3.039e-01 1.916e-01 6.927e-02 -4.522e-03 / CHEB/ 6.023e-02 6.949e-02 3.576e-02 5.999e-03 / CHEB/ -2.448e-02 -8.869e-03 6.558e-03 9.741e-03 / CHEB/ -2.783e-02 -2.057e-02 -3.748e-03 4.207e-03 /

3503.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.7	-0.9	+0.1	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-3.2	-1.2	+0.0	+0.6

Chebyshev(coeffs=[[3.72335,-0.687804,-0.26146,-0.0424055],[2.16531,0.409265,0.116853,0.00548842],[0.614715,0.184592,0.0697459,-0.00286305],[0.140892,0.0642965,0.0351661,0.00710446],[-0.0024817,-0.0106597,0.00536476,0.00963295],[-0.0207149,-0.0207295,-0.00455638,0.00371049]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -26.23
S298 (cal/mol*K) = -24.17
G298 (kcal/mol) = -19.03

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(491); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(491)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.723e+00 -6.878e-01 -2.615e-01 -4.241e-02 / CHEB/ 2.165e+00 4.093e-01 1.169e-01 5.488e-03 / CHEB/ 6.147e-01 1.846e-01 6.975e-02 -2.863e-03 / CHEB/ 1.409e-01 6.430e-02 3.517e-02 7.104e-03 / CHEB/ -2.482e-03 -1.066e-02 5.365e-03 9.633e-03 / CHEB/ -2.071e-02 -2.073e-02 -4.556e-03 3.710e-03 /

3504.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	-1.3	+0.0	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-4.5	-1.6	-0.1	+0.8

Chebyshev(coeffs=[[2.70952,-0.643756,-0.25108,-0.0436443],[3.09916,0.409658,0.120008,0.00591057],[0.827035,0.163929,0.0698185,0.00150215],[0.163984,0.0538147,0.033207,0.00934414],[-0.00281915,-0.0130435,0.00244833,0.00879195],[-0.0208346,-0.0203823,-0.0060703,0.00241009]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.43
S298 (cal/mol*K) = -16.04
G298 (kcal/mol) = -6.65

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(492); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(492)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.710e+00 -6.438e-01 -2.511e-01 -4.364e-02 / CHEB/ 3.099e+00 4.097e-01 1.200e-01 5.911e-03 / CHEB/ 8.270e-01 1.639e-01 6.982e-02 1.502e-03 / CHEB/ 1.640e-01 5.381e-02 3.321e-02 9.344e-03 / CHEB/ -2.819e-03 -1.304e-02 2.448e-03 8.792e-03 / CHEB/ -2.083e-02 -2.038e-02 -6.070e-03 2.410e-03 /

3505.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	-0.9	+0.1	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-3.5	-1.2	+0.0	+0.7

Chebyshev(coeffs=[[3.51642,-0.679322,-0.259374,-0.0426012],[2.35236,0.411146,0.118002,0.0056172],[0.677481,0.18085,0.0699636,-0.00196925],[0.143864,0.0618052,0.0348392,0.00765368],[-0.0128228,-0.0114085,0.00475625,0.00953951],[-0.0239591,-0.0207725,-0.00495009,0.0034456]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.88
S298 (cal/mol*K) = -24.29
G298 (kcal/mol) = -17.64

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(493); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(493)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.516e+00 -6.793e-01 -2.594e-01 -4.260e-02 / CHEB/ 2.352e+00 4.111e-01 1.180e-01 5.617e-03 / CHEB/ 6.775e-01 1.809e-01 6.996e-02 -1.969e-03 / CHEB/ 1.439e-01 6.181e-02 3.484e-02 7.654e-03 / CHEB/ -1.282e-02 -1.141e-02 4.756e-03 9.540e-03 / CHEB/ -2.396e-02 -2.077e-02 -4.950e-03 3.446e-03 /

3506.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	-0.9	+0.7	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-4.5	-1.2	+0.6	+1.6

Chebyshev(coeffs=[[2.84544,-0.628319,-0.247315,-0.0440183],[3.64963,0.408125,0.120927,0.00622138],[0.942183,0.157639,0.0698545,0.00301621],[0.192824,0.0508747,0.0324341,0.00996428],[0.00917337,-0.0138771,0.00145705,0.00844185],[-0.0167274,-0.0203774,-0.00650823,0.00199625]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.78
S298 (cal/mol*K) = -16.77
G298 (kcal/mol) = -3.78

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(78); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(78)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.845e+00 -6.283e-01 -2.473e-01 -4.402e-02 / CHEB/ 3.650e+00 4.081e-01 1.209e-01 6.221e-03 / CHEB/ 9.422e-01 1.576e-01 6.985e-02 3.016e-03 / CHEB/ 1.928e-01 5.087e-02 3.243e-02 9.964e-03 / CHEB/ 9.173e-03 -1.388e-02 1.457e-03 8.442e-03 / CHEB/ -1.673e-02 -2.038e-02 -6.508e-03 1.996e-03 /

3507.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-2.8	-1.0	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-7.0	-3.1	-1.0	+0.1

Chebyshev(coeffs=[[0.40081,-0.594148,-0.239866,-0.0451782],[4.48047,0.390019,0.118648,0.00658842],[0.999723,0.146462,0.0694713,0.00571644],[0.187401,0.0482318,0.031017,0.0105015],[0.00402057,-0.0137728,0.000118855,0.00751497],[-0.018276,-0.0197584,-0.00676505,0.00138832]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.88
S298 (cal/mol*K) = -18.67
G298 (kcal/mol) = 4.68

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(494); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(494)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.008e-01 -5.941e-01 -2.399e-01 -4.518e-02 / CHEB/ 4.480e+00 3.900e-01 1.186e-01 6.588e-03 / CHEB/ 9.997e-01 1.465e-01 6.947e-02 5.716e-03 / CHEB/ 1.874e-01 4.823e-02 3.102e-02 1.050e-02 / CHEB/ 4.021e-03 -1.377e-02 1.189e-04 7.515e-03 / CHEB/ -1.828e-02 -1.976e-02 -6.765e-03 1.388e-03 /

3508.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-3.2	-1.3	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-3.5	-1.4	-0.3

Chebyshev(coeffs=[[-0.0402498,-0.594804,-0.240011,-0.0451571],[4.55528,0.390401,0.118693,0.0065764],[1.01877,0.14662,0.0694719,0.00566723],[0.193118,0.0482835,0.0310457,0.0104937],[0.00592053,-0.0137673,0.000142718,0.00753109],[-0.0176044,-0.0197668,-0.00676031,0.0013987]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.88
S298 (cal/mol*K) = -18.67
G298 (kcal/mol) = 4.68

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(495); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(495)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.025e-02 -5.948e-01 -2.400e-01 -4.516e-02 / CHEB/ 4.555e+00 3.904e-01 1.187e-01 6.576e-03 / CHEB/ 1.019e+00 1.466e-01 6.947e-02 5.667e-03 / CHEB/ 1.931e-01 4.828e-02 3.105e-02 1.049e-02 / CHEB/ 5.921e-03 -1.377e-02 1.427e-04 7.531e-03 / CHEB/ -1.760e-02 -1.977e-02 -6.760e-03 1.399e-03 /

3509.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+1.1	+1.4	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+0.7	+1.2	+1.4

Chebyshev(coeffs=[[6.35746,-0.732522,-0.272453,-0.0414061],[0.818448,0.391824,0.10906,0.0049583],[0.197962,0.20174,0.0674643,-0.00746998],[0.0370127,0.079553,0.0363708,0.00373853],[-0.0239575,-0.00427192,0.00864537,0.009584],[-0.0255423,-0.019487,-0.00203633,0.00498434]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -71.82
S298 (cal/mol*K) = -42.05
G298 (kcal/mol) = -59.29

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(496); H(25), C7H11(496); C7H10(18)+H(25)(+M)=>C7H11(496)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.357e+00 -7.325e-01 -2.725e-01 -4.141e-02 / CHEB/ 8.184e-01 3.918e-01 1.091e-01 4.958e-03 / CHEB/ 1.980e-01 2.017e-01 6.746e-02 -7.470e-03 / CHEB/ 3.701e-02 7.955e-02 3.637e-02 3.739e-03 / CHEB/ -2.396e-02 -4.272e-03 8.645e-03 9.584e-03 / CHEB/ -2.554e-02 -1.949e-02 -2.036e-03 4.984e-03 /

3510.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	-2.5	-0.8	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-2.7	-0.9	+0.1

Chebyshev(coeffs=[[0.779565,-0.584395,-0.237722,-0.0454965],[4.30018,0.384019,0.117913,0.00677999],[0.92039,0.144342,0.0694769,0.00642661],[0.163267,0.0474872,0.0305904,0.0106013],[-0.00416253,-0.0138429,-0.000215967,0.00728007],[-0.0211872,-0.019634,-0.00682692,0.00124149]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.17
S298 (cal/mol*K) = -10.82
G298 (kcal/mol) = 3.06

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(322); H(25), CH2(137); C7H10(18)+H(25)(+M)=>CH2(137)+C6H9(322)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.796e-01 -5.844e-01 -2.377e-01 -4.550e-02 / CHEB/ 4.300e+00 3.840e-01 1.179e-01 6.780e-03 / CHEB/ 9.204e-01 1.443e-01 6.948e-02 6.427e-03 / CHEB/ 1.633e-01 4.749e-02 3.059e-02 1.060e-02 / CHEB/ -4.163e-03 -1.384e-02 -2.160e-04 7.280e-03 / CHEB/ -2.119e-02 -1.963e-02 -6.827e-03 1.241e-03 /

3511.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.7	+3.2	+3.2	+3.2
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+2.8	+3.1	+3.1

Chebyshev(coeffs=[[8.53232,-0.747434,-0.276107,-0.0410889],[0.555609,0.383406,0.105877,0.00483321],[0.0870605,0.206095,0.0662343,-0.00892783],[0.00614886,0.0849967,0.0364893,0.00250132],[-0.0301373,-0.00136063,0.00967118,0.00937805],[-0.0258859,-0.0185705,-0.00107093,0.00532917]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -96.18
S298 (cal/mol*K) = -39.65
G298 (kcal/mol) = -84.36

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(310); H(25), C7H11(310); C7H10(18)+H(25)(+M)=>C7H11(310)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.532e+00 -7.474e-01 -2.761e-01 -4.109e-02 / CHEB/ 5.556e-01 3.834e-01 1.059e-01 4.833e-03 / CHEB/ 8.706e-02 2.061e-01 6.623e-02 -8.928e-03 / CHEB/ 6.149e-03 8.500e-02 3.649e-02 2.501e-03 / CHEB/ -3.014e-02 -1.361e-03 9.671e-03 9.378e-03 / CHEB/ -2.589e-02 -1.857e-02 -1.071e-03 5.329e-03 /

3512.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	-3.7	-1.9	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-7.9	-4.0	-2.0	-0.9

Chebyshev(coeffs=[[-0.515992,-0.593319,-0.239683,-0.045205],[4.48621,0.389532,0.11859,0.00660375],[0.997775,0.146265,0.0694708,0.00577835],[0.186701,0.0481669,0.0309807,0.0105112],[0.00377833,-0.0137796,8.8952e-05,0.00749465],[-0.0183641,-0.0197478,-0.00677091,0.00137529]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.63
S298 (cal/mol*K) = -18.67
G298 (kcal/mol) = 4.93

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(498); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(498)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.160e-01 -5.933e-01 -2.397e-01 -4.520e-02 / CHEB/ 4.486e+00 3.895e-01 1.186e-01 6.604e-03 / CHEB/ 9.978e-01 1.463e-01 6.947e-02 5.778e-03 / CHEB/ 1.867e-01 4.817e-02 3.098e-02 1.051e-02 / CHEB/ 3.778e-03 -1.378e-02 8.895e-05 7.495e-03 / CHEB/ -1.836e-02 -1.975e-02 -6.771e-03 1.375e-03 /

3513.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.3	+4.8	+5.0	+5.0
log₁₀(k(10 bar)/[mole,m,s])	+3.7	+4.4	+4.8	+4.9

Chebyshev(coeffs=[[10.1241,-0.742593,-0.27481,-0.0411305],[0.680636,0.387035,0.107288,0.00496611],[0.136024,0.20548,0.0669078,-0.00841741],[0.0245656,0.083492,0.0365978,0.00294599],[-0.0235368,-0.00238496,0.00939706,0.00950153],[-0.0239088,-0.019029,-0.00139199,0.00525378]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -64.39
S298 (cal/mol*K) = -19.98
G298 (kcal/mol) = -58.44

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(499); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(499)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.012e+01 -7.426e-01 -2.748e-01 -4.113e-02 / CHEB/ 6.806e-01 3.870e-01 1.073e-01 4.966e-03 / CHEB/ 1.360e-01 2.055e-01 6.691e-02 -8.417e-03 / CHEB/ 2.457e-02 8.349e-02 3.660e-02 2.946e-03 / CHEB/ -2.354e-02 -2.385e-03 9.397e-03 9.502e-03 / CHEB/ -2.391e-02 -1.903e-02 -1.392e-03 5.254e-03 /

3514.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.9	+3.2	+3.1	+2.9
log₁₀(k(10 bar)/[mole,m,s])	+2.3	+2.8	+2.9	+2.9

Chebyshev(coeffs=[[8.66943,-0.751229,-0.277204,-0.0410995],[0.275225,0.379931,0.104503,0.00466416],[0.00148521,0.205967,0.0655023,-0.00935307],[-0.0228966,0.08594,0.0362871,0.00212372],[-0.0400394,-0.000528656,0.00983063,0.00923983],[-0.0297391,-0.018112,-0.000827076,0.00535881]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -96.18
S298 (cal/mol*K) = -39.19
G298 (kcal/mol) = -84.50

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(312); H(25), C7H11(312); C7H10(18)+H(25)(+M)=>C7H11(312)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.669e+00 -7.512e-01 -2.772e-01 -4.110e-02 / CHEB/ 2.752e-01 3.799e-01 1.045e-01 4.664e-03 / CHEB/ 1.485e-03 2.060e-01 6.550e-02 -9.353e-03 / CHEB/ -2.290e-02 8.594e-02 3.629e-02 2.124e-03 / CHEB/ -4.004e-02 -5.287e-04 9.831e-03 9.240e-03 / CHEB/ -2.974e-02 -1.811e-02 -8.271e-04 5.359e-03 /

3515.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.7	+2.1	+2.8	+3.1
log₁₀(k(10 bar)/[mole,m,s])	+0.1	+1.7	+2.6	+3.1

Chebyshev(coeffs=[[6.92396,-0.706898,-0.265991,-0.0418813],[1.61573,0.404559,0.11441,0.00537701],[0.465107,0.193398,0.069342,-0.00478771],[0.104352,0.0706523,0.035948,0.00581751],[-0.0154702,-0.00851354,0.00680881,0.00978078],[-0.0237636,-0.0206275,-0.00360814,0.00431307]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -85.63
S298 (cal/mol*K) = -42.28
G298 (kcal/mol) = -73.03

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(313); H(25), C7H11(313); C7H10(18)+H(25)(+M)=>C7H11(313)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.924e+00 -7.069e-01 -2.660e-01 -4.188e-02 / CHEB/ 1.616e+00 4.046e-01 1.144e-01 5.377e-03 / CHEB/ 4.651e-01 1.934e-01 6.934e-02 -4.788e-03 / CHEB/ 1.044e-01 7.065e-02 3.595e-02 5.818e-03 / CHEB/ -1.547e-02 -8.514e-03 6.809e-03 9.781e-03 / CHEB/ -2.376e-02 -2.063e-02 -3.608e-03 4.313e-03 /

3516.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+1.3	+1.7	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+0.9	+1.6	+1.9

H298 (kcal/mol) = -85.63
S298 (cal/mol*K) = -42.28
G298 (kcal/mol) = -73.03

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(311); H(25), C7H11(311); C7H10(18)+H(25)(+M)=>C7H11(311)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.393e+00 -7.238e-01 -2.701e-01 -4.150e-02 / CHEB/ 1.148e+00 3.974e-01 1.113e-01 5.188e-03 / CHEB/ 3.079e-01 1.998e-01 6.843e-02 -6.529e-03 / CHEB/ 7.466e-02 7.667e-02 3.639e-02 4.507e-03 / CHEB/ -1.141e-02 -5.955e-03 8.066e-03 9.733e-03 / CHEB/ -2.177e-02 -2.011e-02 -2.609e-03 4.799e-03 /

3517.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+4.1	+3.9	+3.7
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+3.7	+3.7	+3.6

Chebyshev(coeffs=[[9.58779,-0.763731,-0.28025,-0.0408378],[0.184554,0.371776,0.101615,0.00459394],[-0.0656961,0.208747,0.0642349,-0.010508],[-0.0430003,0.0903895,0.0362072,0.00107321],[-0.043039,0.00219242,0.0106058,0.00899038],[-0.0291293,-0.0170544,1.57912e-06,0.00559267]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -111.23
S298 (cal/mol*K) = -47.78
G298 (kcal/mol) = -96.99

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(309); H(25), C7H11(309); C7H10(18)+H(25)(+M)=>C7H11(309)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.588e+00 -7.637e-01 -2.803e-01 -4.084e-02 / CHEB/ 1.846e-01 3.718e-01 1.016e-01 4.594e-03 / CHEB/ -6.570e-02 2.087e-01 6.423e-02 -1.051e-02 / CHEB/ -4.300e-02 9.039e-02 3.621e-02 1.073e-03 / CHEB/ -4.304e-02 2.192e-03 1.061e-02 8.990e-03 / CHEB/ -2.913e-02 -1.705e-02 1.579e-06 5.593e-03 /

3539.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.0	+4.8	+4.8	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+3.1	+4.1	+4.5	+4.6

Chebyshev(coeffs=[[9.63874,-1.31435,-0.389026,-0.0255865],[1.01631,0.820781,0.101185,-0.0478999],[0.0173035,0.195353,0.114709,0.0071418],[-0.0253035,0.108345,0.0600653,0.0176268],[-0.0140071,0.0565522,0.0206319,0.00526125],[-0.0230855,0.00441663,0.00440345,0.000820945]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -45.02
S298 (cal/mol*K) = -30.74
G298 (kcal/mol) = -35.86

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(710); H(25), C7H11(710); C7H10(18)+H(25)(+M)=>C7H11(710)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.639e+00 -1.314e+00 -3.890e-01 -2.559e-02 / CHEB/ 1.016e+00 8.208e-01 1.012e-01 -4.790e-02 / CHEB/ 1.730e-02 1.954e-01 1.147e-01 7.142e-03 / CHEB/ -2.530e-02 1.083e-01 6.007e-02 1.763e-02 / CHEB/ -1.401e-02 5.655e-02 2.063e-02 5.261e-03 / CHEB/ -2.309e-02 4.417e-03 4.403e-03 8.209e-04 /

3540.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.6	+5.0	+5.5	+5.7
log₁₀(k(10 bar)/[mole,m,s])	+2.7	+4.5	+5.3	+5.7

Chebyshev(coeffs=[[9.50184,-1.24888,-0.378197,-0.0282447],[1.84669,0.85635,0.12221,-0.0464628],[0.29014,0.174922,0.118448,0.0132599],[0.0433081,0.0861468,0.0551999,0.0208218],[0.00265059,0.045214,0.0167794,0.00580174],[-0.0164087,0.000292871,0.00260672,0.000778808]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.48
S298 (cal/mol*K) = -5.12
G298 (kcal/mol) = -34.96

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(711); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(711)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.502e+00 -1.249e+00 -3.782e-01 -2.824e-02 / CHEB/ 1.847e+00 8.564e-01 1.222e-01 -4.646e-02 / CHEB/ 2.901e-01 1.749e-01 1.184e-01 1.326e-02 / CHEB/ 4.331e-02 8.615e-02 5.520e-02 2.082e-02 / CHEB/ 2.651e-03 4.521e-02 1.678e-02 5.802e-03 / CHEB/ -1.641e-02 2.929e-04 2.607e-03 7.788e-04 /

3541.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.8	+5.8	+6.1	+6.1
log₁₀(k(10 bar)/[mole,m,s])	+3.8	+5.2	+5.8	+6.0

Chebyshev(coeffs=[[10.5561,-1.37167,-0.414791,-0.0242037],[1.30402,0.876002,0.124557,-0.0509628],[0.145448,0.214945,0.115884,0.0020443],[0.0130793,0.101833,0.061012,0.0197103],[-0.00302268,0.0471907,0.0207741,0.00807151],[-0.0204484,0.00132775,0.00437642,0.00193568]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -47.27
S298 (cal/mol*K) = 2.52
G298 (kcal/mol) = -48.02

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(712); H(25), CH3(425); C7H10(18)+H(25)(+M)=>CH3(425)+C6H8(712)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.056e+01 -1.372e+00 -4.148e-01 -2.420e-02 / CHEB/ 1.304e+00 8.760e-01 1.246e-01 -5.096e-02 / CHEB/ 1.454e-01 2.149e-01 1.159e-01 2.044e-03 / CHEB/ 1.308e-02 1.018e-01 6.101e-02 1.971e-02 / CHEB/ -3.023e-03 4.719e-02 2.077e-02 8.072e-03 / CHEB/ -2.045e-02 1.328e-03 4.376e-03 1.936e-03 /

3542.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+5.5	+6.1	+6.3
log₁₀(k(10 bar)/[mole,m,s])	+3.0	+5.0	+5.8	+6.3

Chebyshev(coeffs=[[9.89201,-1.23774,-0.377506,-0.029056],[2.02651,0.855835,0.124349,-0.0463864],[0.321105,0.167667,0.117651,0.0142334],[0.0349442,0.0829211,0.0538167,0.0209966],[-0.00810736,0.04498,0.0163745,0.00560029],[-0.0198684,0.000670771,0.00265497,0.00069032]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.28
S298 (cal/mol*K) = 8.35
G298 (kcal/mol) = -33.77

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C#CCC(713); H(25), C3H5(597); C7H10(18)+H(25)(+M)=>C3H5(597)+C#CCC(713)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.892e+00 -1.238e+00 -3.775e-01 -2.906e-02 / CHEB/ 2.027e+00 8.558e-01 1.243e-01 -4.639e-02 / CHEB/ 3.211e-01 1.677e-01 1.177e-01 1.423e-02 / CHEB/ 3.494e-02 8.292e-02 5.382e-02 2.100e-02 / CHEB/ -8.107e-03 4.498e-02 1.637e-02 5.600e-03 / CHEB/ -1.987e-02 6.708e-04 2.655e-03 6.903e-04 /

3543.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+2.2	+3.3	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-1.6	+1.7	+3.1	+3.8

Chebyshev(coeffs=[[5.50697,-1.19026,-0.410509,-0.0447029],[3.6745,0.833841,0.150719,-0.0511519],[0.568699,0.141765,0.118005,0.0210955],[0.0458457,0.0780917,0.0509595,0.0251511],[-0.0156878,0.0420439,0.0187465,0.0088635],[-0.0273176,-0.0020075,0.00368852,0.00294253]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.04
S298 (cal/mol*K) = 3.22
G298 (kcal/mol) = -6.00

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(714); H(25), CH3(425); C7H10(18)+H(25)(+M)=>CH3(425)+C6H8(714)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.507e+00 -1.190e+00 -4.105e-01 -4.470e-02 / CHEB/ 3.674e+00 8.338e-01 1.507e-01 -5.115e-02 / CHEB/ 5.687e-01 1.418e-01 1.180e-01 2.110e-02 / CHEB/ 4.585e-02 7.809e-02 5.096e-02 2.515e-02 / CHEB/ -1.569e-02 4.204e-02 1.875e-02 8.863e-03 / CHEB/ -2.732e-02 -2.008e-03 3.689e-03 2.943e-03 /

3544.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	-2.0	+0.8	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-2.2	+0.7	+2.3

Chebyshev(coeffs=[[-3.09953,-0.566085,-0.281926,-0.0758244],[10.8697,0.440618,0.186124,0.0225288],[0.3969,0.0425965,0.0434036,0.0269145],[0.100135,0.0402213,0.0228996,0.0103885],[0.0168134,0.0246095,0.0125462,0.00355379],[-0.00797441,-0.00377988,-0.000135656,0.00130906]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.76
S298 (cal/mol*K) = 9.52
G298 (kcal/mol) = 26.92

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(715); H(25), CH3(425); C7H10(18)+H(25)(+M)=>CH3(425)+C6H8(715)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.100e+00 -5.661e-01 -2.819e-01 -7.582e-02 / CHEB/ 1.087e+01 4.406e-01 1.861e-01 2.253e-02 / CHEB/ 3.969e-01 4.260e-02 4.340e-02 2.691e-02 / CHEB/ 1.001e-01 4.022e-02 2.290e-02 1.039e-02 / CHEB/ 1.681e-02 2.461e-02 1.255e-02 3.554e-03 / CHEB/ -7.974e-03 -3.780e-03 -1.357e-04 1.309e-03 /

3545.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-4.1	-0.5	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-14.8	-4.3	-0.5	+1.3

Chebyshev(coeffs=[[-7.72852,-0.356579,-0.203126,-0.0755759],[14.7758,0.262208,0.136462,0.0387542],[0.214964,0.027575,0.024087,0.0162388],[0.0752818,0.0353631,0.0202033,0.00788317],[0.0141988,0.0193536,0.0114192,0.00455288],[-0.00786498,-0.00351411,-0.000787426,0.000837762]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 45.05
S298 (cal/mol*K) = 15.58
G298 (kcal/mol) = 40.41

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H6(716); H(25), C3H5(597); C7H10(18)+H(25)(+M)=>C3H5(597)+C4H6(716)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.729e+00 -3.566e-01 -2.031e-01 -7.558e-02 / CHEB/ 1.478e+01 2.622e-01 1.365e-01 3.875e-02 / CHEB/ 2.150e-01 2.757e-02 2.409e-02 1.624e-02 / CHEB/ 7.528e-02 3.536e-02 2.020e-02 7.883e-03 / CHEB/ 1.420e-02 1.935e-02 1.142e-02 4.553e-03 / CHEB/ -7.865e-03 -3.514e-03 -7.874e-04 8.378e-04 /

3546.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.3	-3.5	-0.5	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-3.7	-0.6	+1.1

Chebyshev(coeffs=[[-4.48798,-0.568515,-0.278485,-0.073308],[10.8061,0.424292,0.172223,0.0179415],[0.566447,0.0650171,0.054362,0.0273368],[0.136088,0.036682,0.0223814,0.0118274],[0.0261128,0.0218916,0.0107414,0.00289327],[-0.00456724,-0.00361764,-9.16125e-06,0.00123092]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.70
S298 (cal/mol*K) = -1.53
G298 (kcal/mol) = 28.16

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(717); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(717)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.488e+00 -5.685e-01 -2.785e-01 -7.331e-02 / CHEB/ 1.081e+01 4.243e-01 1.722e-01 1.794e-02 / CHEB/ 5.664e-01 6.502e-02 5.436e-02 2.734e-02 / CHEB/ 1.361e-01 3.668e-02 2.238e-02 1.183e-02 / CHEB/ 2.611e-02 2.189e-02 1.074e-02 2.893e-03 / CHEB/ -4.567e-03 -3.618e-03 -9.161e-06 1.231e-03 /

3547.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-1.6	+0.7	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-8.2	-1.9	+0.6	+2.0

Chebyshev(coeffs=[[-1.03814,-0.748878,-0.327644,-0.0641623],[8.31328,0.594175,0.201358,-0.001302],[0.551664,0.057537,0.0644818,0.0322386],[0.10738,0.0430816,0.0256676,0.0140909],[0.0153234,0.028476,0.0125353,0.00293732],[-0.00833667,-0.00336428,0.000615504,0.00118022]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.08
S298 (cal/mol*K) = 4.85
G298 (kcal/mol) = 17.63

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(718); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(718)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.038e+00 -7.489e-01 -3.276e-01 -6.416e-02 / CHEB/ 8.313e+00 5.942e-01 2.014e-01 -1.302e-03 / CHEB/ 5.517e-01 5.754e-02 6.448e-02 3.224e-02 / CHEB/ 1.074e-01 4.308e-02 2.567e-02 1.409e-02 / CHEB/ 1.532e-02 2.848e-02 1.254e-02 2.937e-03 / CHEB/ -8.337e-03 -3.364e-03 6.155e-04 1.180e-03 /

3548.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+3.7	+4.0	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+1.9	+3.2	+3.7	+3.9

Chebyshev(coeffs=[[8.50665,-1.29099,-0.385318,-0.0266094],[1.30825,0.834009,0.10853,-0.0475568],[0.113153,0.188237,0.11621,0.00927868],[0.0023043,0.100404,0.0585345,0.0188277],[-0.00465087,0.0526105,0.0193703,0.0055021],[-0.0202544,0.00301343,0.00380233,0.000825473]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -84.55
S298 (cal/mol*K) = -41.81
G298 (kcal/mol) = -72.09

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(719); H(25), C7H11(719); C7H10(18)+H(25)(+M)=>C7H11(719)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.507e+00 -1.291e+00 -3.853e-01 -2.661e-02 / CHEB/ 1.308e+00 8.340e-01 1.085e-01 -4.756e-02 / CHEB/ 1.132e-01 1.882e-01 1.162e-01 9.279e-03 / CHEB/ 2.304e-03 1.004e-01 5.853e-02 1.883e-02 / CHEB/ -4.651e-03 5.261e-02 1.937e-02 5.502e-03 / CHEB/ -2.025e-02 3.013e-03 3.802e-03 8.255e-04 /

3549.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.0	-6.6	-2.3	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-19.2	-6.7	-2.3	-0.1

Chebyshev(coeffs=[[-11.9517,-0.267387,-0.160933,-0.0677298],[17.552,0.186385,0.10545,0.0379927],[0.237775,0.0224786,0.017652,0.0111802],[0.0883078,0.0317919,0.0186689,0.00750906],[0.0203319,0.0163363,0.0102212,0.00464184],[-0.00480008,-0.00306588,-0.000949229,0.000448351]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 45.66
S298 (cal/mol*K) = 11.80
G298 (kcal/mol) = 42.14

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H6(720); H(25), C2H5(421); C7H10(18)+H(25)(+M)=>C2H5(421)+C5H6(720)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.195e+01 -2.674e-01 -1.609e-01 -6.773e-02 / CHEB/ 1.755e+01 1.864e-01 1.054e-01 3.799e-02 / CHEB/ 2.378e-01 2.248e-02 1.765e-02 1.118e-02 / CHEB/ 8.831e-02 3.179e-02 1.867e-02 7.509e-03 / CHEB/ 2.033e-02 1.634e-02 1.022e-02 4.642e-03 / CHEB/ -4.800e-03 -3.066e-03 -9.492e-04 4.484e-04 /

3550.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.1	-8.9	-4.5	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-22.2	-9.1	-4.6	-2.4

Chebyshev(coeffs=[[-15.0658,-0.251345,-0.142071,-0.0553571],[18.5632,0.00491743,-8.47323e-05,0.00059614],[0.0642545,0.0678492,0.0309925,0.00505796],[0.0128865,0.0757653,0.0397733,0.01166],[-0.00186742,0.0367583,0.0229048,0.00943171],[-0.00841468,0.000902835,0.00314082,0.00313791]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 55.71
S298 (cal/mol*K) = -1.54
G298 (kcal/mol) = 56.17

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(541); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(541)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.507e+01 -2.513e-01 -1.421e-01 -5.536e-02 / CHEB/ 1.856e+01 4.917e-03 -8.473e-05 5.961e-04 / CHEB/ 6.425e-02 6.785e-02 3.099e-02 5.058e-03 / CHEB/ 1.289e-02 7.577e-02 3.977e-02 1.166e-02 / CHEB/ -1.867e-03 3.676e-02 2.290e-02 9.432e-03 / CHEB/ -8.415e-03 9.028e-04 3.141e-03 3.138e-03 /

3551.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-1.4	+0.3	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-1.9	+0.0	+0.9

Chebyshev(coeffs=[[-0.458187,-0.790049,-0.354757,-0.0799417],[7.24721,0.31455,0.113164,0.00888253],[0.185667,0.111543,0.0427028,0.00290316],[0.00292603,0.111424,0.0439911,0.00397363],[-0.0344281,0.063378,0.0279023,0.00424799],[-0.0390426,0.00726899,0.00810571,0.00396798]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.08
S298 (cal/mol*K) = -22.79
G298 (kcal/mol) = -9.29

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(542); H(25), C7H11(542); C7H10(65)+H(25)(+M)=>C7H11(542)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.582e-01 -7.900e-01 -3.548e-01 -7.994e-02 / CHEB/ 7.247e+00 3.146e-01 1.132e-01 8.883e-03 / CHEB/ 1.857e-01 1.115e-01 4.270e-02 2.903e-03 / CHEB/ 2.926e-03 1.114e-01 4.399e-02 3.974e-03 / CHEB/ -3.443e-02 6.338e-02 2.790e-02 4.248e-03 / CHEB/ -3.904e-02 7.269e-03 8.106e-03 3.968e-03 /

3552.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-0.9	+0.9	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-1.4	+0.6	+1.6

Chebyshev(coeffs=[[0.0905861,-0.798759,-0.35425,-0.0775602],[7.20449,0.347342,0.120708,0.00650754],[0.304136,0.107833,0.0436888,0.00452907],[0.0268905,0.108846,0.0439642,0.00466928],[-0.0265687,0.0622727,0.0278501,0.00451866],[-0.035281,0.00662507,0.00796655,0.00408629]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.08
S298 (cal/mol*K) = -23.52
G298 (kcal/mol) = -15.07

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(543); H(25), C7H11(543); C7H10(65)+H(25)(+M)=>C7H11(543)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.059e-02 -7.988e-01 -3.543e-01 -7.756e-02 / CHEB/ 7.204e+00 3.473e-01 1.207e-01 6.508e-03 / CHEB/ 3.041e-01 1.078e-01 4.369e-02 4.529e-03 / CHEB/ 2.689e-02 1.088e-01 4.396e-02 4.669e-03 / CHEB/ -2.657e-02 6.227e-02 2.785e-02 4.519e-03 / CHEB/ -3.528e-02 6.625e-03 7.967e-03 4.086e-03 /

3553.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.6	-0.1	+0.8	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-3.4	-0.7	+0.5	+1.0

Chebyshev(coeffs=[[3.59898,-1.17808,-0.380873,-0.041717],[3.06506,0.612921,0.0953269,-0.0285311],[0.381318,0.138566,0.0555326,-0.00563756],[0.0327739,0.118654,0.0445748,0.00457567],[-0.0252294,0.0653665,0.0273255,0.00497775],[-0.0425181,0.00732353,0.01051,0.00394606]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.38
S298 (cal/mol*K) = -24.90
G298 (kcal/mol) = -14.96

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(544); H(25), C7H11(544); C7H10(65)+H(25)(+M)=>C7H11(544)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.599e+00 -1.178e+00 -3.809e-01 -4.172e-02 / CHEB/ 3.065e+00 6.129e-01 9.533e-02 -2.853e-02 / CHEB/ 3.813e-01 1.386e-01 5.553e-02 -5.638e-03 / CHEB/ 3.277e-02 1.187e-01 4.457e-02 4.576e-03 / CHEB/ -2.523e-02 6.537e-02 2.733e-02 4.978e-03 / CHEB/ -4.252e-02 7.324e-03 1.051e-02 3.946e-03 /

3554.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.6	-12.7	-6.6	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-31.7	-12.8	-6.7	-3.7

Chebyshev(coeffs=[[-24.2674,-0.132987,-0.0795299,-0.0332189],[26.8021,-0.0159849,-0.0120778,-0.00739282],[-0.199528,0.0420666,0.0203997,0.00411664],[-0.0583438,0.0412179,0.0242377,0.0097277],[-0.0198819,0.0187753,0.0139161,0.00813528],[-0.0100588,0.00113896,0.00227733,0.0023346]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.92
S298 (cal/mol*K) = 9.14
G298 (kcal/mol) = 84.19

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(545); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(545)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.427e+01 -1.330e-01 -7.953e-02 -3.322e-02 / CHEB/ 2.680e+01 -1.598e-02 -1.208e-02 -7.393e-03 / CHEB/ -1.995e-01 4.207e-02 2.040e-02 4.117e-03 / CHEB/ -5.834e-02 4.122e-02 2.424e-02 9.728e-03 / CHEB/ -1.988e-02 1.878e-02 1.392e-02 8.135e-03 / CHEB/ -1.006e-02 1.139e-03 2.277e-03 2.335e-03 /

3555.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.6	-12.9	-6.9	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-31.7	-13.0	-6.9	-4.0

Chebyshev(coeffs=[[-24.2474,-0.13594,-0.0810883,-0.0337016],[26.5121,-0.0158728,-0.0120704,-0.00742522],[-0.186439,0.0428618,0.020689,0.00408615],[-0.0583185,0.0420863,0.0246807,0.0098437],[-0.0209962,0.0192527,0.0142225,0.00826308],[-0.0100015,0.00117559,0.00233158,0.00237729]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.32
S298 (cal/mol*K) = 7.03
G298 (kcal/mol) = 84.22

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(546); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(546)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.425e+01 -1.359e-01 -8.109e-02 -3.370e-02 / CHEB/ 2.651e+01 -1.587e-02 -1.207e-02 -7.425e-03 / CHEB/ -1.864e-01 4.286e-02 2.069e-02 4.086e-03 / CHEB/ -5.832e-02 4.209e-02 2.468e-02 9.844e-03 / CHEB/ -2.100e-02 1.925e-02 1.422e-02 8.263e-03 / CHEB/ -1.000e-02 1.176e-03 2.332e-03 2.377e-03 /

3556.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.2	-11.6	-6.0	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-29.3	-11.8	-6.1	-3.4

Chebyshev(coeffs=[[-21.936,-0.154128,-0.0906628,-0.0367037],[24.8109,-0.0167767,-0.0128314,-0.00778062],[-0.180297,0.0478179,0.0225185,0.00395932],[-0.0582505,0.0482705,0.0277508,0.010563],[-0.021891,0.0225257,0.0162033,0.00897571],[-0.0107141,0.00134114,0.00264363,0.00263031]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.92
S298 (cal/mol*K) = 8.41
G298 (kcal/mol) = 78.41

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(547); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(547)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.194e+01 -1.541e-01 -9.066e-02 -3.670e-02 / CHEB/ 2.481e+01 -1.678e-02 -1.283e-02 -7.781e-03 / CHEB/ -1.803e-01 4.782e-02 2.252e-02 3.959e-03 / CHEB/ -5.825e-02 4.827e-02 2.775e-02 1.056e-02 / CHEB/ -2.189e-02 2.253e-02 1.620e-02 8.976e-03 / CHEB/ -1.071e-02 1.341e-03 2.644e-03 2.630e-03 /

3557.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.3	-11.9	-6.3	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-29.4	-12.0	-6.4	-3.7

Chebyshev(coeffs=[[-22.1531,-0.154464,-0.0908435,-0.036758],[24.7843,-0.0177078,-0.0133398,-0.00795547],[-0.206996,0.0480925,0.0226393,0.0039776],[-0.0570213,0.0488202,0.0280191,0.0106239],[-0.0188433,0.0227316,0.0163146,0.00900623],[-0.0109854,0.00131038,0.00264297,0.00264031]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.62
S298 (cal/mol*K) = 7.03
G298 (kcal/mol) = 78.52

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(186); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(186)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.215e+01 -1.545e-01 -9.084e-02 -3.676e-02 / CHEB/ 2.478e+01 -1.771e-02 -1.334e-02 -7.955e-03 / CHEB/ -2.070e-01 4.809e-02 2.264e-02 3.978e-03 / CHEB/ -5.702e-02 4.882e-02 2.802e-02 1.062e-02 / CHEB/ -1.884e-02 2.273e-02 1.631e-02 9.006e-03 / CHEB/ -1.099e-02 1.310e-03 2.643e-03 2.640e-03 /

3558.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.4	-16.3	-9.7	-6.5
log₁₀(k(10 bar)/[mole,m,s])	-36.5	-16.4	-9.8	-6.5

Chebyshev(coeffs=[[-28.8273,-0.11932,-0.0721712,-0.0308375],[28.3722,-0.0118121,-0.00941394,-0.00617862],[-0.0592081,0.0385597,0.0192276,0.00440353],[-0.0243105,0.0358851,0.0215192,0.00902239],[-0.0109072,0.0157166,0.011991,0.00732579],[-0.0052664,0.000688922,0.00180308,0.00199563]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.62
S298 (cal/mol*K) = -1.99
G298 (kcal/mol) = 92.21

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(548); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(548)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.883e+01 -1.193e-01 -7.217e-02 -3.084e-02 / CHEB/ 2.837e+01 -1.181e-02 -9.414e-03 -6.179e-03 / CHEB/ -5.921e-02 3.856e-02 1.923e-02 4.404e-03 / CHEB/ -2.431e-02 3.589e-02 2.152e-02 9.022e-03 / CHEB/ -1.091e-02 1.572e-02 1.199e-02 7.326e-03 / CHEB/ -5.266e-03 6.889e-04 1.803e-03 1.996e-03 /

3559.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+0.5	+1.0	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-1.0	+0.1	+0.8	+1.3

Chebyshev(coeffs=[[5.50714,-0.796094,-0.383728,-0.0959454],[1.27515,0.497417,0.19633,0.0155512],[0.336313,0.135623,0.0858026,0.0322587],[0.10668,0.0713606,0.0369177,0.0124391],[0.0211231,0.0182416,0.00890845,0.00284167],[-0.00764484,-0.00703526,-0.0010703,0.00154998]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.50
S298 (cal/mol*K) = -33.69
G298 (kcal/mol) = -25.46

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(684); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(684)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.507e+00 -7.961e-01 -3.837e-01 -9.595e-02 / CHEB/ 1.275e+00 4.974e-01 1.963e-01 1.555e-02 / CHEB/ 3.363e-01 1.356e-01 8.580e-02 3.226e-02 / CHEB/ 1.067e-01 7.136e-02 3.692e-02 1.244e-02 / CHEB/ 2.112e-02 1.824e-02 8.908e-03 2.842e-03 / CHEB/ -7.645e-03 -7.035e-03 -1.070e-03 1.550e-03 /

3560.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.7	-1.4	-0.6	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-3.2	-1.7	-0.8	-0.2

Chebyshev(coeffs=[[3.36342,-0.768277,-0.374498,-0.0967091],[1.79687,0.498186,0.199269,0.0175237],[0.45643,0.119745,0.0804203,0.0331831],[0.113792,0.0631613,0.0336924,0.0123495],[0.0140559,0.017006,0.00833091,0.00261751],[-0.011686,-0.00627391,-0.0010424,0.00132447]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.74
S298 (cal/mol*K) = -54.00
G298 (kcal/mol) = -56.65

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(685); C2H4(72), C7H11(685); C5H7(210)+C2H4(72)(+M)=>C7H11(685)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.363e+00 -7.683e-01 -3.745e-01 -9.671e-02 / CHEB/ 1.797e+00 4.982e-01 1.993e-01 1.752e-02 / CHEB/ 4.564e-01 1.197e-01 8.042e-02 3.318e-02 / CHEB/ 1.138e-01 6.316e-02 3.369e-02 1.235e-02 / CHEB/ 1.406e-02 1.701e-02 8.331e-03 2.618e-03 / CHEB/ -1.169e-02 -6.274e-03 -1.042e-03 1.324e-03 /

3561.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	-1.2	-0.4	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-3.3	-1.5	-0.6	-0.0

Chebyshev(coeffs=[[3.35135,-0.759081,-0.371406,-0.0969242],[1.99134,0.497767,0.200098,0.0182716],[0.500681,0.114888,0.0787226,0.0334531],[0.110823,0.0610572,0.032815,0.0122891],[0.00449607,0.0167826,0.00821686,0.00255281],[-0.0145473,-0.00610986,-0.00104957,0.00126488]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.64
S298 (cal/mol*K) = -52.63
G298 (kcal/mol) = -44.96

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(686); C2H4(72), C7H11(686); C5H7(210)+C2H4(72)(+M)=>C7H11(686)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.351e+00 -7.591e-01 -3.714e-01 -9.692e-02 / CHEB/ 1.991e+00 4.978e-01 2.001e-01 1.827e-02 / CHEB/ 5.007e-01 1.149e-01 7.872e-02 3.345e-02 / CHEB/ 1.108e-01 6.106e-02 3.281e-02 1.229e-02 / CHEB/ 4.496e-03 1.678e-02 8.217e-03 2.553e-03 / CHEB/ -1.455e-02 -6.110e-03 -1.050e-03 1.265e-03 /

3562.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+1.3	+1.3	+1.3
log₁₀(k(10 bar)/[mole,m,s])	+0.5	+0.9	+1.1	+1.2

Chebyshev(coeffs=[[6.69521,-0.841138,-0.399974,-0.0959275],[0.446527,0.475016,0.183555,0.0117171],[0.0326323,0.151227,0.0891172,0.0293627],[0.0206875,0.0879826,0.0420973,0.0113252],[0.00216005,0.0261558,0.01163,0.00270445],[-0.0111812,-0.00487452,0.000179363,0.00187411]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -75.64
S298 (cal/mol*K) = -53.36
G298 (kcal/mol) = -59.74

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(687); C2H4(72), C7H11(687); C5H7(210)+C2H4(72)(+M)=>C7H11(687)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.695e+00 -8.411e-01 -4.000e-01 -9.593e-02 / CHEB/ 4.465e-01 4.750e-01 1.836e-01 1.172e-02 / CHEB/ 3.263e-02 1.512e-01 8.912e-02 2.936e-02 / CHEB/ 2.069e-02 8.798e-02 4.210e-02 1.133e-02 / CHEB/ 2.160e-03 2.616e-02 1.163e-02 2.704e-03 / CHEB/ -1.118e-02 -4.875e-03 1.794e-04 1.874e-03 /

3563.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.4	+1.4	+1.2	+1.1
log₁₀(k(10 bar)/[mole,m,s])	+0.8	+1.0	+1.0	+1.0

Chebyshev(coeffs=[[6.86716,-0.855117,-0.404929,-0.0958568],[0.205926,0.466438,0.179185,0.0106832],[-0.0606742,0.155052,0.0896526,0.0284007],[-0.00758753,0.0932852,0.0435474,0.0108196],[-0.00436894,0.0291212,0.0125193,0.00254307],[-0.0122763,-0.0038655,0.00063239,0.00191471]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -75.14
S298 (cal/mol*K) = -53.36
G298 (kcal/mol) = -59.24

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(688); C2H4(72), C7H11(688); C5H7(210)+C2H4(72)(+M)=>C7H11(688)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.867e+00 -8.551e-01 -4.049e-01 -9.586e-02 / CHEB/ 2.059e-01 4.664e-01 1.792e-01 1.068e-02 / CHEB/ -6.067e-02 1.551e-01 8.965e-02 2.840e-02 / CHEB/ -7.588e-03 9.329e-02 4.355e-02 1.082e-02 / CHEB/ -4.369e-03 2.912e-02 1.252e-02 2.543e-03 / CHEB/ -1.228e-02 -3.865e-03 6.324e-04 1.915e-03 /

3564.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.9	-9.4	-6.0	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-19.0	-9.5	-6.0	-4.2

Chebyshev(coeffs=[[-11.9716,-0.250607,-0.160299,-0.0764464],[13.3041,0.1318,0.0813806,0.0360374],[0.356617,0.045991,0.0307556,0.0158898],[0.133776,0.0374378,0.0231562,0.0103156],[0.019432,0.00871883,0.00568056,0.00281371],[-0.00960705,-0.00450294,-0.0024146,-0.000708496]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.46
S298 (cal/mol*K) = -21.49
G298 (kcal/mol) = 46.86

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(689); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(689)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.197e+01 -2.506e-01 -1.603e-01 -7.645e-02 / CHEB/ 1.330e+01 1.318e-01 8.138e-02 3.604e-02 / CHEB/ 3.566e-01 4.599e-02 3.076e-02 1.589e-02 / CHEB/ 1.338e-01 3.744e-02 2.316e-02 1.032e-02 / CHEB/ 1.943e-02 8.719e-03 5.681e-03 2.814e-03 / CHEB/ -9.607e-03 -4.503e-03 -2.415e-03 -7.085e-04 /

3565.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.1	-6.8	-3.9	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-14.3	-6.9	-4.0	-2.4

Chebyshev(coeffs=[[-7.25836,-0.342698,-0.209892,-0.0916903],[10.138,0.201603,0.116109,0.043748],[0.506371,0.056912,0.038784,0.0204733],[0.155536,0.0417742,0.0248898,0.0102866],[0.0184497,0.0100876,0.00626959,0.00284179],[-0.011312,-0.00527135,-0.00250093,-0.000394937]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.36
S298 (cal/mol*K) = -22.87
G298 (kcal/mol) = 35.17

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(690); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(690)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.258e+00 -3.427e-01 -2.099e-01 -9.169e-02 / CHEB/ 1.014e+01 2.016e-01 1.161e-01 4.375e-02 / CHEB/ 5.064e-01 5.691e-02 3.878e-02 2.047e-02 / CHEB/ 1.555e-01 4.177e-02 2.489e-02 1.029e-02 / CHEB/ 1.845e-02 1.009e-02 6.270e-03 2.842e-03 / CHEB/ -1.131e-02 -5.271e-03 -2.501e-03 -3.949e-04 /

3566.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-6.2	-3.6	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-6.4	-3.6	-2.2

Chebyshev(coeffs=[[-6.21458,-0.371793,-0.224363,-0.0949956],[9.32224,0.224925,0.126506,0.0448563],[0.543737,0.0597462,0.0410863,0.0218745],[0.157715,0.0425736,0.0251304,0.0102137],[0.0171527,0.01047,0.00640046,0.00280783],[-0.0118311,-0.00541271,-0.00246002,-0.000268762]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.46
S298 (cal/mol*K) = -22.22
G298 (kcal/mol) = 32.08

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(691); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(691)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.215e+00 -3.718e-01 -2.244e-01 -9.500e-02 / CHEB/ 9.322e+00 2.249e-01 1.265e-01 4.486e-02 / CHEB/ 5.437e-01 5.975e-02 4.109e-02 2.187e-02 / CHEB/ 1.577e-01 4.257e-02 2.513e-02 1.021e-02 / CHEB/ 1.715e-02 1.047e-02 6.400e-03 2.808e-03 / CHEB/ -1.183e-02 -5.413e-03 -2.460e-03 -2.688e-04 /

3567.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.2	-6.3	-3.6	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-6.5	-3.7	-2.2

Chebyshev(coeffs=[[-6.38867,-0.367061,-0.222048,-0.0945045],[9.45122,0.2211,0.124841,0.0447196],[0.53813,0.0593017,0.0407169,0.0216479],[0.157523,0.0424584,0.0250982,0.0102254],[0.0174036,0.0104078,0.00638006,0.00281437],[-0.0117428,-0.00539279,-0.00246851,-0.000289697]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.96
S298 (cal/mol*K) = -22.22
G298 (kcal/mol) = 32.58

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(692); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(692)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.389e+00 -3.671e-01 -2.220e-01 -9.450e-02 / CHEB/ 9.451e+00 2.211e-01 1.248e-01 4.472e-02 / CHEB/ 5.381e-01 5.930e-02 4.072e-02 2.165e-02 / CHEB/ 1.575e-01 4.246e-02 2.510e-02 1.023e-02 / CHEB/ 1.740e-02 1.041e-02 6.380e-03 2.814e-03 / CHEB/ -1.174e-02 -5.393e-03 -2.469e-03 -2.897e-04 /

3568.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.7	-8.8	-4.9	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-19.8	-8.9	-5.0	-3.0

Chebyshev(coeffs=[[-12.7439,-0.202897,-0.132394,-0.0655948],[15.4103,0.0985952,0.0628532,0.0297387],[0.233899,0.0393253,0.0261794,0.0134446],[0.10517,0.0336918,0.0213197,0.00994591],[0.0150427,0.00771908,0.00514675,0.00265625],[-0.00961945,-0.00389622,-0.00220515,-0.000774227]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.79
S298 (cal/mol*K) = -14.83
G298 (kcal/mol) = 44.21

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(693); C2H4(72), CH2(T)(82); C5H7(210)+C2H4(72)(+M)=>CH2(T)(82)+C6H9(693)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.274e+01 -2.029e-01 -1.324e-01 -6.559e-02 / CHEB/ 1.541e+01 9.860e-02 6.285e-02 2.974e-02 / CHEB/ 2.339e-01 3.933e-02 2.618e-02 1.344e-02 / CHEB/ 1.052e-01 3.369e-02 2.132e-02 9.946e-03 / CHEB/ 1.504e-02 7.719e-03 5.147e-03 2.656e-03 / CHEB/ -9.619e-03 -3.896e-03 -2.205e-03 -7.742e-04 /

3569.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.8	-10.8	-7.1	-5.1
log₁₀(k(10 bar)/[mole,m,s])	-20.9	-10.9	-7.1	-5.1

Chebyshev(coeffs=[[-13.7568,-0.241456,-0.154996,-0.0744314],[14.0017,0.12798,0.0794263,0.0355586],[0.445795,0.0441554,0.029594,0.015355],[0.164114,0.0361382,0.0224656,0.0101138],[0.0347165,0.0081151,0.00534388,0.00269856],[-0.00456392,-0.00454773,-0.00247534,-0.000766803]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.06
S298 (cal/mol*K) = -28.26
G298 (kcal/mol) = 50.48

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(694); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(694)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.376e+01 -2.415e-01 -1.550e-01 -7.443e-02 / CHEB/ 1.400e+01 1.280e-01 7.943e-02 3.556e-02 / CHEB/ 4.458e-01 4.416e-02 2.959e-02 1.535e-02 / CHEB/ 1.641e-01 3.614e-02 2.247e-02 1.011e-02 / CHEB/ 3.472e-02 8.115e-03 5.344e-03 2.699e-03 / CHEB/ -4.564e-03 -4.548e-03 -2.475e-03 -7.668e-04 /

3570.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	+1.7	+3.2	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-4.8	+0.6	+2.6	+3.4

Chebyshev(coeffs=[[3.1584,-2.56097,-0.535535,-0.00463729],[5.98879,1.62199,0.0408257,-0.093096],[0.38256,0.386139,0.136407,-0.0270812],[-0.00414413,0.125588,0.0767878,0.00912786],[-0.0784522,0.0261293,0.0307903,0.0141932],[-0.0766935,-0.0139456,0.0101195,0.0087158]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.39
S298 (cal/mol*K) = -20.04
G298 (kcal/mol) = -15.42

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(464); H(25), C7H11(464); C7H10(65)+H(25)(+M)=>C7H11(464)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.158e+00 -2.561e+00 -5.355e-01 -4.637e-03 / CHEB/ 5.989e+00 1.622e+00 4.083e-02 -9.310e-02 / CHEB/ 3.826e-01 3.861e-01 1.364e-01 -2.708e-02 / CHEB/ -4.144e-03 1.256e-01 7.679e-02 9.128e-03 / CHEB/ -7.845e-02 2.613e-02 3.079e-02 1.419e-02 / CHEB/ -7.669e-02 -1.395e-02 1.012e-02 8.716e-03 /

3571.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-3.1	+0.3	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-14.2	-3.7	+0.1	+1.8

Chebyshev(coeffs=[[-6.51338,-1.22317,-0.544085,-0.108341],[13.8128,0.66381,0.231661,0.0040989],[0.561725,0.256103,0.123715,0.0187684],[0.0595244,0.139065,0.0629914,0.0134302],[-0.0637553,0.0225277,0.0198576,0.0118084],[-0.0623536,-0.0232525,-0.00170461,0.00696086]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.52
S298 (cal/mol*K) = 12.27
G298 (kcal/mol) = 32.86

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(465); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(465)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.513e+00 -1.223e+00 -5.441e-01 -1.083e-01 / CHEB/ 1.381e+01 6.638e-01 2.317e-01 4.099e-03 / CHEB/ 5.617e-01 2.561e-01 1.237e-01 1.877e-02 / CHEB/ 5.952e-02 1.391e-01 6.299e-02 1.343e-02 / CHEB/ -6.376e-02 2.253e-02 1.986e-02 1.181e-02 / CHEB/ -6.235e-02 -2.325e-02 -1.705e-03 6.961e-03 /

3572.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.7	-3.1	+0.1	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-3.7	-0.2	+1.4

Chebyshev(coeffs=[[-6.13395,-1.26625,-0.557244,-0.107186],[13.2118,0.655119,0.223842,0.000732342],[0.424004,0.268606,0.124015,0.0150477],[0.0306707,0.144834,0.0636675,0.0120493],[-0.0723563,0.0254914,0.0211104,0.0117517],[-0.0661093,-0.0215952,-0.00025458,0.0074157]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.87
S298 (cal/mol*K) = -7.49
G298 (kcal/mol) = -11.64

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(466); H(25), C7H11(466); C7H10(65)+H(25)(+M)=>C7H11(466)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.134e+00 -1.266e+00 -5.572e-01 -1.072e-01 / CHEB/ 1.321e+01 6.551e-01 2.238e-01 7.323e-04 / CHEB/ 4.240e-01 2.686e-01 1.240e-01 1.505e-02 / CHEB/ 3.067e-02 1.448e-01 6.367e-02 1.205e-02 / CHEB/ -7.236e-02 2.549e-02 2.111e-02 1.175e-02 / CHEB/ -6.611e-02 -2.160e-02 -2.546e-04 7.416e-03 /

3573.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.7	-1.5	+1.3	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-2.2	+1.0	+2.4

Chebyshev(coeffs=[[-3.14988,-1.57754,-0.598668,-0.0762015],[11.0732,0.911663,0.230633,-0.0347299],[0.522124,0.284548,0.131208,0.00845228],[0.0356587,0.136856,0.0623444,0.0135731],[-0.0764531,0.0282335,0.0233358,0.0121986],[-0.0695052,-0.0187268,0.00285057,0.00799448]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.87
S298 (cal/mol*K) = -7.49
G298 (kcal/mol) = -11.64

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(467); H(25), C7H11(467); C7H10(65)+H(25)(+M)=>C7H11(467)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.150e+00 -1.578e+00 -5.987e-01 -7.620e-02 / CHEB/ 1.107e+01 9.117e-01 2.306e-01 -3.473e-02 / CHEB/ 5.221e-01 2.845e-01 1.312e-01 8.452e-03 / CHEB/ 3.566e-02 1.369e-01 6.234e-02 1.357e-02 / CHEB/ -7.645e-02 2.823e-02 2.334e-02 1.220e-02 / CHEB/ -6.951e-02 -1.873e-02 2.851e-03 7.994e-03 /

3574.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.0	-3.4	+0.1	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-14.9	-4.0	-0.1	+1.6

Chebyshev(coeffs=[[-7.35389,-1.12245,-0.524502,-0.118079],[14.6357,0.547478,0.209527,0.0140854],[0.377492,0.256521,0.12034,0.0184817],[0.0267231,0.145204,0.0647677,0.0121609],[-0.0697646,0.0237283,0.0196765,0.0113893],[-0.063937,-0.022792,-0.00198574,0.00680561]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.37
S298 (cal/mol*K) = -8.22
G298 (kcal/mol) = -1.92

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(468); H(25), C7H11(468); C7H10(65)+H(25)(+M)=>C7H11(468)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.354e+00 -1.122e+00 -5.245e-01 -1.181e-01 / CHEB/ 1.464e+01 5.475e-01 2.095e-01 1.409e-02 / CHEB/ 3.775e-01 2.565e-01 1.203e-01 1.848e-02 / CHEB/ 2.672e-02 1.452e-01 6.477e-02 1.216e-02 / CHEB/ -6.976e-02 2.373e-02 1.968e-02 1.139e-02 / CHEB/ -6.394e-02 -2.279e-02 -1.986e-03 6.806e-03 /

3575.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	+0.9	+2.8	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-6.4	-0.1	+2.3	+3.3

Chebyshev(coeffs=[[1.71958,-2.3555,-0.55009,-0.015546],[7.08421,1.57062,0.0898477,-0.0891361],[0.587663,0.326263,0.152208,-0.0166567],[0.0342735,0.113684,0.0746352,0.0146173],[-0.0723872,0.0272986,0.0267368,0.0149854],[-0.0736922,-0.0140257,0.00735692,0.00842872]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.86
S298 (cal/mol*K) = -13.94
G298 (kcal/mol) = -20.70

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(469); H(25), C7H11(469); C7H10(65)+H(25)(+M)=>C7H11(469)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.720e+00 -2.355e+00 -5.501e-01 -1.555e-02 / CHEB/ 7.084e+00 1.571e+00 8.985e-02 -8.914e-02 / CHEB/ 5.877e-01 3.263e-01 1.522e-01 -1.666e-02 / CHEB/ 3.427e-02 1.137e-01 7.464e-02 1.462e-02 / CHEB/ -7.239e-02 2.730e-02 2.674e-02 1.499e-02 / CHEB/ -7.369e-02 -1.403e-02 7.357e-03 8.429e-03 /

3576.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	+0.1	+2.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-0.9	+1.6	+2.6

Chebyshev(coeffs=[[0.718185,-2.29442,-0.558233,-0.0188296],[7.38969,1.52848,0.104567,-0.0875972],[0.597267,0.312898,0.152676,-0.0141849],[0.0312243,0.114958,0.0726651,0.0153151],[-0.0745403,0.0287549,0.0259314,0.0146378],[-0.0738232,-0.0141081,0.00707979,0.00824668]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.37
S298 (cal/mol*K) = -10.92
G298 (kcal/mol) = 1.89

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(470); H(25), C7H11(470); C7H10(65)+H(25)(+M)=>C7H11(470)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.182e-01 -2.294e+00 -5.582e-01 -1.883e-02 / CHEB/ 7.390e+00 1.528e+00 1.046e-01 -8.760e-02 / CHEB/ 5.973e-01 3.129e-01 1.527e-01 -1.418e-02 / CHEB/ 3.122e-02 1.150e-01 7.267e-02 1.532e-02 / CHEB/ -7.454e-02 2.875e-02 2.593e-02 1.464e-02 / CHEB/ -7.382e-02 -1.411e-02 7.080e-03 8.247e-03 /

3577.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.9	-3.1	-0.7	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-11.4	-3.9	-1.1	+0.1

Chebyshev(coeffs=[[-3.4613,-1.95292,-0.594735,-0.039715],[9.01222,1.2546,0.185794,-0.0728434],[0.616298,0.285778,0.143936,-0.000494552],[0.0352834,0.123125,0.0654214,0.016595],[-0.0773156,0.030682,0.0242839,0.0127956],[-0.0717826,-0.0160881,0.00526961,0.00802835]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.83
S298 (cal/mol*K) = -11.34
G298 (kcal/mol) = 4.21

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(471); H(25), C7H11(471); C7H10(65)+H(25)(+M)=>C7H11(471)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.461e+00 -1.953e+00 -5.947e-01 -3.971e-02 / CHEB/ 9.012e+00 1.255e+00 1.858e-01 -7.284e-02 / CHEB/ 6.163e-01 2.858e-01 1.439e-01 -4.946e-04 / CHEB/ 3.528e-02 1.231e-01 6.542e-02 1.659e-02 / CHEB/ -7.732e-02 3.068e-02 2.428e-02 1.280e-02 / CHEB/ -7.178e-02 -1.609e-02 5.270e-03 8.028e-03 /

3578.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.1	-5.4	-0.5	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-21.5	-5.7	-0.7	+1.5

Chebyshev(coeffs=[[-14.244,-0.585075,-0.334782,-0.125398],[22.1455,0.211271,0.116421,0.0391071],[-0.154515,0.178657,0.0942723,0.0276332],[-0.105066,0.113269,0.0591644,0.0170147],[-0.0930265,0.0123552,0.011359,0.0081381],[-0.0634446,-0.0215694,-0.00751382,0.00159389]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.26
S298 (cal/mol*K) = 33.66
G298 (kcal/mol) = 62.23

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C4H6(472); H(25), C3H5(98); C7H10(65)+H(25)(+M)=>C3H5(98)+C4H6(472)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.424e+01 -5.851e-01 -3.348e-01 -1.254e-01 / CHEB/ 2.215e+01 2.113e-01 1.164e-01 3.911e-02 / CHEB/ -1.545e-01 1.787e-01 9.427e-02 2.763e-02 / CHEB/ -1.051e-01 1.133e-01 5.916e-02 1.701e-02 / CHEB/ -9.303e-02 1.236e-02 1.136e-02 8.138e-03 / CHEB/ -6.344e-02 -2.157e-02 -7.514e-03 1.594e-03 /

3579.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.2	-11.0	-5.0	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-30.5	-11.2	-5.1	-2.2

Chebyshev(coeffs=[[-22.9359,-0.428005,-0.258786,-0.10986],[27.0193,0.145514,0.0873537,0.0362773],[-0.0971316,0.141095,0.0791987,0.0278815],[-0.0931338,0.0903283,0.0507559,0.0179718],[-0.0844689,0.00709835,0.00728365,0.00584246],[-0.0564914,-0.0189801,-0.00830073,-0.000596163]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.23
S298 (cal/mol*K) = 23.65
G298 (kcal/mol) = 80.19

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(473); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(473)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.294e+01 -4.280e-01 -2.588e-01 -1.099e-01 / CHEB/ 2.702e+01 1.455e-01 8.735e-02 3.628e-02 / CHEB/ -9.713e-02 1.411e-01 7.920e-02 2.788e-02 / CHEB/ -9.313e-02 9.033e-02 5.076e-02 1.797e-02 / CHEB/ -8.447e-02 7.098e-03 7.284e-03 5.842e-03 / CHEB/ -5.649e-02 -1.898e-02 -8.301e-03 -5.962e-04 /

3580.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.6	-10.3	-4.2	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-29.9	-10.5	-4.3	-1.5

Chebyshev(coeffs=[[-22.3071,-0.428005,-0.258786,-0.10986],[27.1313,0.145514,0.0873537,0.0362773],[-0.0723895,0.141095,0.0791987,0.0278815],[-0.0858493,0.0903283,0.0507559,0.0179718],[-0.082057,0.00709835,0.00728365,0.00584246],[-0.0556417,-0.0189801,-0.00830073,-0.000596163]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.23
S298 (cal/mol*K) = 23.65
G298 (kcal/mol) = 80.19

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(474); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(474)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.231e+01 -4.280e-01 -2.588e-01 -1.099e-01 / CHEB/ 2.713e+01 1.455e-01 8.735e-02 3.628e-02 / CHEB/ -7.239e-02 1.411e-01 7.920e-02 2.788e-02 / CHEB/ -8.585e-02 9.033e-02 5.076e-02 1.797e-02 / CHEB/ -8.206e-02 7.098e-03 7.284e-03 5.842e-03 / CHEB/ -5.564e-02 -1.898e-02 -8.301e-03 -5.962e-04 /

3581.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.0	-12.7	-6.0	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-34.2	-12.9	-6.1	-2.9

Chebyshev(coeffs=[[-26.4974,-0.346704,-0.215543,-0.0970698],[29.8943,0.114662,0.0715027,0.0322862],[-0.111026,0.118866,0.0691985,0.0267652],[-0.102519,0.0765335,0.044758,0.017531],[-0.0850441,0.00457234,0.00510653,0.00439166],[-0.0541838,-0.0170122,-0.00825127,-0.00156574]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.73
S298 (cal/mol*K) = 22.92
G298 (kcal/mol) = 89.90

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(475); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(475)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.650e+01 -3.467e-01 -2.155e-01 -9.707e-02 / CHEB/ 2.989e+01 1.147e-01 7.150e-02 3.229e-02 / CHEB/ -1.110e-01 1.189e-01 6.920e-02 2.677e-02 / CHEB/ -1.025e-01 7.653e-02 4.476e-02 1.753e-02 / CHEB/ -8.504e-02 4.572e-03 5.107e-03 4.392e-03 / CHEB/ -5.418e-02 -1.701e-02 -8.251e-03 -1.566e-03 /

3582.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.4	-9.8	-3.8	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-29.6	-10.0	-3.9	-1.2

Chebyshev(coeffs=[[-22.2089,-0.385818,-0.236685,-0.103658],[27.6374,0.129284,0.0792025,0.0344211],[-0.284317,0.129786,0.074217,0.0274413],[-0.150734,0.0833346,0.0478013,0.0178498],[-0.102259,0.00576284,0.00615143,0.00510621],[-0.0615238,-0.0180185,-0.00832397,-0.00112418]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.06
S298 (cal/mol*K) = 32.78
G298 (kcal/mol) = 81.29

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C5H8(476); H(25), C2H3(100); C7H10(65)+H(25)(+M)=>C2H3(100)+C5H8(476)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.221e+01 -3.858e-01 -2.367e-01 -1.037e-01 / CHEB/ 2.764e+01 1.293e-01 7.920e-02 3.442e-02 / CHEB/ -2.843e-01 1.298e-01 7.422e-02 2.744e-02 / CHEB/ -1.507e-01 8.333e-02 4.780e-02 1.785e-02 / CHEB/ -1.023e-01 5.763e-03 6.151e-03 5.106e-03 / CHEB/ -6.152e-02 -1.802e-02 -8.324e-03 -1.124e-03 /

3583.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.7	-9.2	-3.7	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-27.0	-9.5	-3.8	-1.1

Chebyshev(coeffs=[[-19.4758,-0.528765,-0.308484,-0.120889],[24.4494,0.191777,0.108871,0.0395312],[0.0581829,0.165813,0.0895029,0.0281835],[-0.0469661,0.104633,0.0561718,0.0175447],[-0.0728115,0.00966929,0.00958483,0.00735032],[-0.0551251,-0.0211215,-0.00810012,0.000702]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.24
S298 (cal/mol*K) = 17.20
G298 (kcal/mol) = 71.12

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(477); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(477)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.948e+01 -5.288e-01 -3.085e-01 -1.209e-01 / CHEB/ 2.445e+01 1.918e-01 1.089e-01 3.953e-02 / CHEB/ 5.818e-02 1.658e-01 8.950e-02 2.818e-02 / CHEB/ -4.697e-02 1.046e-01 5.617e-02 1.754e-02 / CHEB/ -7.281e-02 9.669e-03 9.585e-03 7.350e-03 / CHEB/ -5.513e-02 -2.112e-02 -8.100e-03 7.020e-04 /

3584.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.1	-14.2	-7.2	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-36.4	-14.4	-7.3	-4.0

Chebyshev(coeffs=[[-28.5782,-0.324172,-0.203077,-0.0928994],[30.8884,0.106256,0.066921,0.030851],[-0.0928142,0.112494,0.0661783,0.0262584],[-0.0981007,0.0724992,0.0428747,0.0172466],[-0.0829267,0.00391108,0.00451141,0.00397031],[-0.0526643,-0.0163836,-0.00816386,-0.00179196]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.73
S298 (cal/mol*K) = 20.22
G298 (kcal/mol) = 93.71

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(478); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(478)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.858e+01 -3.242e-01 -2.031e-01 -9.290e-02 / CHEB/ 3.089e+01 1.063e-01 6.692e-02 3.085e-02 / CHEB/ -9.281e-02 1.125e-01 6.618e-02 2.626e-02 / CHEB/ -9.810e-02 7.250e-02 4.287e-02 1.725e-02 / CHEB/ -8.293e-02 3.911e-03 4.511e-03 3.970e-03 / CHEB/ -5.266e-02 -1.638e-02 -8.164e-03 -1.792e-03 /

3585.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.1	-13.6	-6.5	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-36.3	-13.8	-6.6	-3.2

Chebyshev(coeffs=[[-28.4765,-0.308783,-0.194441,-0.0898889],[31.5953,0.100654,0.0638058,0.0298105],[-0.079928,0.108007,0.0640047,0.0258421],[-0.0954559,0.0696743,0.0415217,0.0170045],[-0.0814932,0.00347059,0.00410873,0.00367926],[-0.0515839,-0.0159287,-0.00808296,-0.00193437]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 101.93
S298 (cal/mol*K) = 19.80
G298 (kcal/mol) = 96.03

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(479); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(479)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.848e+01 -3.088e-01 -1.944e-01 -8.989e-02 / CHEB/ 3.160e+01 1.007e-01 6.381e-02 2.981e-02 / CHEB/ -7.993e-02 1.080e-01 6.400e-02 2.584e-02 / CHEB/ -9.546e-02 6.967e-02 4.152e-02 1.700e-02 / CHEB/ -8.149e-02 3.471e-03 4.109e-03 3.679e-03 / CHEB/ -5.158e-02 -1.593e-02 -8.083e-03 -1.934e-03 /

3586.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.1	-7.7	-2.3	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-25.6	-8.0	-2.4	+0.1

Chebyshev(coeffs=[[-18.1281,-0.555164,-0.286681,-0.084271],[24.6114,0.221318,0.0964425,0.010973],[-0.167155,0.174271,0.0835873,0.0190312],[-0.0838589,0.101288,0.0519043,0.0156067],[-0.0765419,0.00563562,0.0113808,0.0103511],[-0.0565206,-0.0234211,-0.0062114,0.00285569]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.22
S298 (cal/mol*K) = 31.15
G298 (kcal/mol) = 69.94

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C6H9(400); H(25), CH2(137); C7H10(65)+H(25)(+M)=>CH2(137)+C6H9(400)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.813e+01 -5.552e-01 -2.867e-01 -8.427e-02 / CHEB/ 2.461e+01 2.213e-01 9.644e-02 1.097e-02 / CHEB/ -1.672e-01 1.743e-01 8.359e-02 1.903e-02 / CHEB/ -8.386e-02 1.013e-01 5.190e-02 1.561e-02 / CHEB/ -7.654e-02 5.636e-03 1.138e-02 1.035e-02 / CHEB/ -5.652e-02 -2.342e-02 -6.211e-03 2.856e-03 /

3587.

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PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.4	-12.5	-5.4	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-35.6	-12.7	-5.4	-2.1

Chebyshev(coeffs=[[-27.8253,-0.280505,-0.178315,-0.0840102],[32.2139,0.090431,0.0579927,0.0277352],[-0.222015,0.0996379,0.0598534,0.0249427],[-0.13912,0.0643577,0.0388989,0.0164518],[-0.0948998,0.00268719,0.0033804,0.00314117],[-0.0551756,-0.0150414,-0.00788614,-0.00216421]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.36
S298 (cal/mol*K) = 31.68
G298 (kcal/mol) = 86.92

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C6H9(480); H(25), CH2(T)(82); C7H10(65)+H(25)(+M)=>CH2(T)(82)+C6H9(480)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.783e+01 -2.805e-01 -1.783e-01 -8.401e-02 / CHEB/ 3.221e+01 9.043e-02 5.799e-02 2.774e-02 / CHEB/ -2.220e-01 9.964e-02 5.985e-02 2.494e-02 / CHEB/ -1.391e-01 6.436e-02 3.890e-02 1.645e-02 / CHEB/ -9.490e-02 2.687e-03 3.380e-03 3.141e-03 / CHEB/ -5.518e-02 -1.504e-02 -7.886e-03 -2.164e-03 /

3588.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.7	-15.3	-8.1	-4.8
log₁₀(k(10 bar)/[mole,m,s])	-37.9	-15.4	-8.2	-4.8

Chebyshev(coeffs=[[-30.0243,-0.310142,-0.195145,-0.0900714],[31.4734,0.104808,0.0662476,0.0307739],[-0.0474722,0.108291,0.0641877,0.025934],[-0.0889364,0.0690949,0.0412011,0.0168996],[-0.0801169,0.00285919,0.00378611,0.00358699],[-0.0512405,-0.016192,-0.00824278,-0.00200313]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 100.93
S298 (cal/mol*K) = 16.88
G298 (kcal/mol) = 95.90

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(481); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(481)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.002e+01 -3.101e-01 -1.951e-01 -9.007e-02 / CHEB/ 3.147e+01 1.048e-01 6.625e-02 3.077e-02 / CHEB/ -4.747e-02 1.083e-01 6.419e-02 2.593e-02 / CHEB/ -8.894e-02 6.909e-02 4.120e-02 1.690e-02 / CHEB/ -8.012e-02 2.859e-03 3.786e-03 3.587e-03 / CHEB/ -5.124e-02 -1.619e-02 -8.243e-03 -2.003e-03 /

3616.

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PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+1.7	+2.9	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-1.4	+1.3	+2.7	+3.5

Chebyshev(coeffs=[[5.69382,-0.851448,-0.336145,-0.0727164],[2.94518,0.547911,0.156652,0.0169043],[0.745332,0.165247,0.0755818,0.00160678],[0.139931,0.0737067,0.0488938,0.0155617],[-0.00380297,0.00653309,0.0111995,0.0123847],[-0.0194197,-0.0123818,-0.00361386,0.0019629]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.05
S298 (cal/mol*K) = -4.81
G298 (kcal/mol) = -20.62

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(721); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(721)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.694e+00 -8.514e-01 -3.361e-01 -7.272e-02 / CHEB/ 2.945e+00 5.479e-01 1.567e-01 1.690e-02 / CHEB/ 7.453e-01 1.652e-01 7.558e-02 1.607e-03 / CHEB/ 1.399e-01 7.371e-02 4.889e-02 1.556e-02 / CHEB/ -3.803e-03 6.533e-03 1.120e-02 1.238e-02 / CHEB/ -1.942e-02 -1.238e-02 -3.614e-03 1.963e-03 /

3617.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+4.9	+5.4	+5.6
log₁₀(k(10 bar)/[mole,m,s])	+3.0	+4.4	+5.2	+5.5

Chebyshev(coeffs=[[9.71605,-0.928567,-0.354665,-0.0719646],[1.40445,0.528635,0.14285,0.0147376],[0.364389,0.198789,0.0749084,-0.00455904],[0.0808605,0.0977786,0.0549508,0.0121823],[-0.0106521,0.0145658,0.017114,0.0134296],[-0.0230207,-0.0117841,-0.00139826,0.00359193]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.14
S298 (cal/mol*K) = 3.46
G298 (kcal/mol) = -45.17

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(722); H(25), CH3(425); C7H10(18)+H(25)(+M)=>CH3(425)+C6H8(722)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.716e+00 -9.286e-01 -3.547e-01 -7.196e-02 / CHEB/ 1.404e+00 5.286e-01 1.428e-01 1.474e-02 / CHEB/ 3.644e-01 1.988e-01 7.491e-02 -4.559e-03 / CHEB/ 8.086e-02 9.778e-02 5.495e-02 1.218e-02 / CHEB/ -1.065e-02 1.457e-02 1.711e-02 1.343e-02 / CHEB/ -2.302e-02 -1.178e-02 -1.398e-03 3.592e-03 /

3618.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.9	+3.1	+4.0	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+0.3	+2.7	+3.9	+4.5

Chebyshev(coeffs=[[7.29925,-0.840607,-0.334341,-0.0731471],[2.51434,0.54208,0.155916,0.0167625],[0.602845,0.158808,0.0746183,0.00217165],[0.0824928,0.0724576,0.0480364,0.0156705],[-0.0235871,0.00718216,0.0108549,0.0120256],[-0.026134,-0.0117018,-0.00342449,0.00179556]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.75
S298 (cal/mol*K) = 6.45
G298 (kcal/mol) = -15.67

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(723); H(25), CH3(425); C7H10(18)+H(25)(+M)=>CH3(425)+C6H8(723)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.299e+00 -8.406e-01 -3.343e-01 -7.315e-02 / CHEB/ 2.514e+00 5.421e-01 1.559e-01 1.676e-02 / CHEB/ 6.028e-01 1.588e-01 7.462e-02 2.172e-03 / CHEB/ 8.249e-02 7.246e-02 4.804e-02 1.567e-02 / CHEB/ -2.359e-02 7.182e-03 1.085e-02 1.203e-02 / CHEB/ -2.613e-02 -1.170e-02 -3.424e-03 1.796e-03 /

3619.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	+0.3	+2.7	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-5.7	+0.1	+2.6	+3.9

Chebyshev(coeffs=[[1.67825,-0.622424,-0.286403,-0.0767294],[7.2231,0.420021,0.152833,0.0233431],[0.862854,0.111711,0.0665071,0.0133509],[0.157204,0.0516771,0.0343017,0.0162079],[0.00095156,0.00352731,0.00508069,0.00705715],[-0.0158742,-0.00972348,-0.00336326,2.50725e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.59
S298 (cal/mol*K) = 14.02
G298 (kcal/mol) = 9.41

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H6(724); H(25), C2H5(421); C7H10(18)+H(25)(+M)=>C2H5(421)+C5H6(724)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.678e+00 -6.224e-01 -2.864e-01 -7.673e-02 / CHEB/ 7.223e+00 4.200e-01 1.528e-01 2.334e-02 / CHEB/ 8.629e-01 1.117e-01 6.651e-02 1.335e-02 / CHEB/ 1.572e-01 5.168e-02 3.430e-02 1.621e-02 / CHEB/ 9.516e-04 3.527e-03 5.081e-03 7.057e-03 / CHEB/ -1.587e-02 -9.723e-03 -3.363e-03 2.507e-05 /

3620.

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PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	+0.9	+2.4	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-3.0	+0.6	+2.3	+3.1

Chebyshev(coeffs=[[4.13613,-0.746413,-0.313842,-0.0745758],[4.17483,0.507429,0.159022,0.0191702],[0.724261,0.128134,0.0716599,0.00803638],[0.0859645,0.0605998,0.0412409,0.016831],[-0.0211903,0.00474047,0.00707659,0.00971224],[-0.0240647,-0.0109056,-0.00364167,0.000624896]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.13
S298 (cal/mol*K) = 6.46
G298 (kcal/mol) = -2.05

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(725); H(25), CH3(425); C7H10(18)+H(25)(+M)=>CH3(425)+C6H8(725)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.136e+00 -7.464e-01 -3.138e-01 -7.458e-02 / CHEB/ 4.175e+00 5.074e-01 1.590e-01 1.917e-02 / CHEB/ 7.243e-01 1.281e-01 7.166e-02 8.036e-03 / CHEB/ 8.596e-02 6.060e-02 4.124e-02 1.683e-02 / CHEB/ -2.119e-02 4.740e-03 7.077e-03 9.712e-03 / CHEB/ -2.406e-02 -1.091e-02 -3.642e-03 6.249e-04 /

3621.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	-1.4	+0.7	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-1.6	+0.6	+1.8

Chebyshev(coeffs=[[0.722384,-0.679059,-0.299388,-0.0757417],[6.07942,0.46237,0.156612,0.0212701],[0.873775,0.11798,0.0691947,0.0111829],[0.141889,0.0552397,0.0372024,0.0166659],[-0.00362142,0.00395688,0.00577045,0.00822618],[-0.0174716,-0.0102637,-0.00348606,0.000219281]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.63
S298 (cal/mol*K) = -0.73
G298 (kcal/mol) = 7.85

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(726); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(726)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.224e-01 -6.791e-01 -2.994e-01 -7.574e-02 / CHEB/ 6.079e+00 4.624e-01 1.566e-01 2.127e-02 / CHEB/ 8.738e-01 1.180e-01 6.919e-02 1.118e-02 / CHEB/ 1.419e-01 5.524e-02 3.720e-02 1.667e-02 / CHEB/ -3.621e-03 3.957e-03 5.770e-03 8.226e-03 / CHEB/ -1.747e-02 -1.026e-02 -3.486e-03 2.193e-04 /

3622.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.4	+5.1	+5.3	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+3.7	+4.6	+5.1	+5.3

Chebyshev(coeffs=[[10.2406,-0.955392,-0.361457,-0.0718513],[0.858398,0.513171,0.135776,0.0138572],[0.191353,0.206787,0.0730061,-0.00681115],[0.0331264,0.107585,0.0563119,0.0105691],[-0.024974,0.019419,0.0192715,0.0133321],[-0.0269359,-0.010499,-0.000158616,0.00402967]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.80
S298 (cal/mol*K) = -39.53
G298 (kcal/mol) = -61.02

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(727); H(25), C7H11(727); C7H10(18)+H(25)(+M)=>C7H11(727)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.024e+01 -9.554e-01 -3.615e-01 -7.185e-02 / CHEB/ 8.584e-01 5.132e-01 1.358e-01 1.386e-02 / CHEB/ 1.914e-01 2.068e-01 7.301e-02 -6.811e-03 / CHEB/ 3.313e-02 1.076e-01 5.631e-02 1.057e-02 / CHEB/ -2.497e-02 1.942e-02 1.927e-02 1.333e-02 / CHEB/ -2.694e-02 -1.050e-02 -1.586e-04 4.030e-03 /

3623.

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PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.3	-4.0	-1.3	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-4.2	-1.3	+0.1

Chebyshev(coeffs=[[-4.43198,-0.465185,-0.241796,-0.0777244],[9.89101,0.299401,0.133484,0.0291364],[0.578353,0.0917136,0.0554102,0.017531],[0.126439,0.044524,0.0282113,0.0137993],[-0.00370323,0.00341571,0.00399261,0.00418081],[-0.0183451,-0.00840494,-0.00314432,-5.65072e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.00
S298 (cal/mol*K) = 4.64
G298 (kcal/mol) = 24.62

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(728); H(25), CH2(137); C7H10(18)+H(25)(+M)=>CH2(137)+C6H9(728)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.432e+00 -4.652e-01 -2.418e-01 -7.772e-02 / CHEB/ 9.891e+00 2.994e-01 1.335e-01 2.914e-02 / CHEB/ 5.784e-01 9.171e-02 5.541e-02 1.753e-02 / CHEB/ 1.264e-01 4.452e-02 2.821e-02 1.380e-02 / CHEB/ -3.703e-03 3.416e-03 3.993e-03 4.181e-03 / CHEB/ -1.835e-02 -8.405e-03 -3.144e-03 -5.651e-05 /

3624.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-4.2	-1.3	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-4.5	-1.4	+0.2

Chebyshev(coeffs=[[-5.3411,-0.602758,-0.303565,-0.085122],[10.8894,0.382768,0.156806,0.0162109],[0.532011,0.127546,0.083528,0.0332523],[0.121011,0.0564694,0.0343178,0.0165184],[0.00033544,0.00768513,0.0045031,0.00234658],[-0.0178141,-0.0117441,-0.00407737,0.000384275]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.11
S298 (cal/mol*K) = 5.85
G298 (kcal/mol) = 27.37

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(729); H(25), CH2(137); C7H10(18)+H(25)(+M)=>CH2(137)+C6H9(729)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.341e+00 -6.028e-01 -3.036e-01 -8.512e-02 / CHEB/ 1.089e+01 3.828e-01 1.568e-01 1.621e-02 / CHEB/ 5.320e-01 1.275e-01 8.353e-02 3.325e-02 / CHEB/ 1.210e-01 5.647e-02 3.432e-02 1.652e-02 / CHEB/ 3.354e-04 7.685e-03 4.503e-03 2.347e-03 / CHEB/ -1.781e-02 -1.174e-02 -4.077e-03 3.843e-04 /

3625.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.6	-9.8	-4.4	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-25.7	-9.9	-4.5	-1.7

Chebyshev(coeffs=[[-18.2708,-0.139833,-0.0912995,-0.0453036],[22.3079,0.0650614,0.0418587,0.0201862],[0.172584,0.0334759,0.021335,0.010085],[0.0618666,0.0256531,0.0163206,0.00770187],[-0.00194,0.00358178,0.00280096,0.00182294],[-0.0140801,-0.00441239,-0.00234704,-0.000666593]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 62.49
S298 (cal/mol*K) = 14.17
G298 (kcal/mol) = 58.26

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H7(571); H(25), C3H4(730); C7H10(18)+H(25)(+M)=>C4H7(571)+C3H4(730)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.827e+01 -1.398e-01 -9.130e-02 -4.530e-02 / CHEB/ 2.231e+01 6.506e-02 4.186e-02 2.019e-02 / CHEB/ 1.726e-01 3.348e-02 2.133e-02 1.008e-02 / CHEB/ 6.187e-02 2.565e-02 1.632e-02 7.702e-03 / CHEB/ -1.940e-03 3.582e-03 2.801e-03 1.823e-03 / CHEB/ -1.408e-02 -4.412e-03 -2.347e-03 -6.666e-04 /

3626.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.3	+5.3	+5.7	+5.8
log₁₀(k(10 bar)/[mole,m,s])	+3.6	+4.8	+5.5	+5.8

Chebyshev(coeffs=[[10.2724,-0.940648,-0.357665,-0.0718829],[1.18174,0.522377,0.139894,0.014382],[0.29486,0.202916,0.0742493,-0.00555322],[0.0634958,0.102325,0.0556906,0.0114882],[-0.0156791,0.0167028,0.0181303,0.0134249],[-0.0244147,-0.0113121,-0.00086159,0.00381069]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -47.27
S298 (cal/mol*K) = 2.52
G298 (kcal/mol) = -48.02

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(731); H(25), CH3(425); C7H10(18)+H(25)(+M)=>CH3(425)+C6H8(731)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.027e+01 -9.406e-01 -3.577e-01 -7.188e-02 / CHEB/ 1.182e+00 5.224e-01 1.399e-01 1.438e-02 / CHEB/ 2.949e-01 2.029e-01 7.425e-02 -5.553e-03 / CHEB/ 6.350e-02 1.023e-01 5.569e-02 1.149e-02 / CHEB/ -1.568e-02 1.670e-02 1.813e-02 1.342e-02 / CHEB/ -2.441e-02 -1.131e-02 -8.616e-04 3.811e-03 /

3627.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.3	+5.0	+5.2	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+3.6	+4.5	+5.0	+5.1

Chebyshev(coeffs=[[10.1449,-0.963996,-0.363715,-0.0718495],[0.822516,0.506982,0.133151,0.0135399],[0.158908,0.208427,0.0720935,-0.00754082],[0.0277508,0.110697,0.056592,0.0100038],[-0.022884,0.0213519,0.0199469,0.013225],[-0.026612,-0.00981918,0.000290701,0.00413021]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -55.45
S298 (cal/mol*K) = -36.31
G298 (kcal/mol) = -44.63

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(732); H(25), C7H11(732); C7H10(18)+H(25)(+M)=>C7H11(732)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.014e+01 -9.640e-01 -3.637e-01 -7.185e-02 / CHEB/ 8.225e-01 5.070e-01 1.332e-01 1.354e-02 / CHEB/ 1.589e-01 2.084e-01 7.209e-02 -7.541e-03 / CHEB/ 2.775e-02 1.107e-01 5.659e-02 1.000e-02 / CHEB/ -2.288e-02 2.135e-02 1.995e-02 1.323e-02 / CHEB/ -2.661e-02 -9.819e-03 2.907e-04 4.130e-03 /

3628.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.6	+3.3	+3.4	+3.4
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+2.5	+3.1	+3.4

Chebyshev(coeffs=[[8.07655,-1.69284,-0.568084,-0.0632247],[1.04801,0.975273,0.179351,-0.0348958],[0.199035,0.399102,0.18665,0.0106828],[0.0535994,0.164515,0.0941652,0.0310094],[-0.00391761,0.029858,0.0178256,0.0118423],[-0.0191155,-0.0147468,-0.00232084,0.000491357]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -66.28
S298 (cal/mol*K) = -26.40
G298 (kcal/mol) = -58.41

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(733); H(25), C7H11(733); C7H10(18)+H(25)(+M)=>C7H11(733)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.077e+00 -1.693e+00 -5.681e-01 -6.322e-02 / CHEB/ 1.048e+00 9.753e-01 1.794e-01 -3.490e-02 / CHEB/ 1.990e-01 3.991e-01 1.866e-01 1.068e-02 / CHEB/ 5.360e-02 1.645e-01 9.417e-02 3.101e-02 / CHEB/ -3.918e-03 2.986e-02 1.783e-02 1.184e-02 / CHEB/ -1.912e-02 -1.475e-02 -2.321e-03 4.914e-04 /

3629.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-2.7	+0.4	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-2.9	+0.3	+2.0

Chebyshev(coeffs=[[-3.84765,-0.426879,-0.228408,-0.0771524],[11.073,0.270435,0.126364,0.0302535],[0.591395,0.0857665,0.0520775,0.0180075],[0.141221,0.0429918,0.0269788,0.0130047],[0.00370963,0.00359507,0.00384353,0.00364676],[-0.0158263,-0.00809726,-0.00309248,-2.86349e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.63
S298 (cal/mol*K) = 10.76
G298 (kcal/mol) = 18.43

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H5(734); H(25), C3H6(579); C7H10(18)+H(25)(+M)=>C3H6(579)+C4H5(734)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.848e+00 -4.269e-01 -2.284e-01 -7.715e-02 / CHEB/ 1.107e+01 2.704e-01 1.264e-01 3.025e-02 / CHEB/ 5.914e-01 8.577e-02 5.208e-02 1.801e-02 / CHEB/ 1.412e-01 4.299e-02 2.698e-02 1.300e-02 / CHEB/ 3.710e-03 3.595e-03 3.844e-03 3.647e-03 / CHEB/ -1.583e-02 -8.097e-03 -3.092e-03 -2.863e-05 /

3653.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+2.8	+3.9	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-2.9	+1.8	+3.4	+4.3

Chebyshev(coeffs=[[4.8692,-3.04866,-0.551004,-0.0640342],[5.10421,2.50602,0.0471122,-0.0618374],[0.311318,0.135237,0.20404,0.0164979],[-0.00483588,-0.0122937,0.0841703,0.020109],[0.0129867,0.0621903,0.0217969,0.0113914],[-0.00238146,0.0507493,0.00510647,0.00340932]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.99
S298 (cal/mol*K) = 23.19
G298 (kcal/mol) = -12.90

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(735); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(735)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.869e+00 -3.049e+00 -5.510e-01 -6.403e-02 / CHEB/ 5.104e+00 2.506e+00 4.711e-02 -6.184e-02 / CHEB/ 3.113e-01 1.352e-01 2.040e-01 1.650e-02 / CHEB/ -4.836e-03 -1.229e-02 8.417e-02 2.011e-02 / CHEB/ 1.299e-02 6.219e-02 2.180e-02 1.139e-02 / CHEB/ -2.381e-03 5.075e-02 5.106e-03 3.409e-03 /

3654.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	+3.1	+4.2	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-2.6	+2.1	+3.7	+4.5

Chebyshev(coeffs=[[5.20416,-3.06443,-0.550066,-0.0640037],[5.03799,2.50836,0.0417812,-0.0619621],[0.292344,0.139195,0.202997,0.0159925],[-0.0108352,-0.0113989,0.0849835,0.019696],[0.0110526,0.0617888,0.022389,0.0113472],[-0.00333299,0.0508293,0.0051267,0.0034988]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.60
S298 (cal/mol*K) = 26.32
G298 (kcal/mol) = -11.44

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(736); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(736)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.204e+00 -3.064e+00 -5.501e-01 -6.400e-02 / CHEB/ 5.038e+00 2.508e+00 4.178e-02 -6.196e-02 / CHEB/ 2.923e-01 1.392e-01 2.030e-01 1.599e-02 / CHEB/ -1.084e-02 -1.140e-02 8.498e-02 1.970e-02 / CHEB/ 1.105e-02 6.179e-02 2.239e-02 1.135e-02 / CHEB/ -3.333e-03 5.083e-02 5.127e-03 3.499e-03 /

3655.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-4.8	-1.8	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-14.2	-5.3	-2.1	-0.3

Chebyshev(coeffs=[[-7.07636,-1.31266,-0.614293,-0.153689],[12.3487,0.95694,0.379537,0.0477909],[0.268988,0.0786897,0.0716605,0.0377895],[0.0699531,0.0576026,0.0295114,0.0104183],[0.043468,0.0653991,0.0270231,0.00296734],[0.0209521,0.024093,0.0133618,0.0030956]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.42
S298 (cal/mol*K) = 19.19
G298 (kcal/mol) = 27.71

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(737); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(737)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.076e+00 -1.313e+00 -6.143e-01 -1.537e-01 / CHEB/ 1.235e+01 9.569e-01 3.795e-01 4.779e-02 / CHEB/ 2.690e-01 7.869e-02 7.166e-02 3.779e-02 / CHEB/ 6.995e-02 5.760e-02 2.951e-02 1.042e-02 / CHEB/ 4.347e-02 6.540e-02 2.702e-02 2.967e-03 / CHEB/ 2.095e-02 2.409e-02 1.336e-02 3.096e-03 /

3656.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.8	-7.6	-2.8	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-22.1	-7.9	-2.9	-0.3

Chebyshev(coeffs=[[-14.9161,-0.535639,-0.310409,-0.125264],[20.3271,0.31883,0.175903,0.0643884],[0.0814272,0.0357687,0.0212042,0.00957186],[0.0664789,0.0560338,0.0282629,0.00710628],[0.052109,0.0418566,0.024864,0.00930832],[0.0258429,0.00828836,0.00737063,0.00476139]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.85
S298 (cal/mol*K) = 35.33
G298 (kcal/mol) = 51.33

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(738); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(738)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.492e+01 -5.356e-01 -3.104e-01 -1.253e-01 / CHEB/ 2.033e+01 3.188e-01 1.759e-01 6.439e-02 / CHEB/ 8.143e-02 3.577e-02 2.120e-02 9.572e-03 / CHEB/ 6.648e-02 5.603e-02 2.826e-02 7.106e-03 / CHEB/ 5.211e-02 4.186e-02 2.486e-02 9.308e-03 / CHEB/ 2.584e-02 8.288e-03 7.371e-03 4.761e-03 /

3657.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.5	-10.9	-5.2	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-27.7	-11.1	-5.3	-2.3

Chebyshev(coeffs=[[-20.2508,-0.388604,-0.233973,-0.100875],[23.6164,0.21708,0.127191,0.0520397],[0.128652,0.0256638,0.0123997,0.00313369],[0.0816659,0.0447643,0.0238784,0.0072962],[0.05432,0.0315117,0.0207038,0.00979118],[0.0250383,0.00582753,0.00575444,0.00421053]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.40
S298 (cal/mol*K) = 32.24
G298 (kcal/mol) = 62.80

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(739); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(739)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.025e+01 -3.886e-01 -2.340e-01 -1.009e-01 / CHEB/ 2.362e+01 2.171e-01 1.272e-01 5.204e-02 / CHEB/ 1.287e-01 2.566e-02 1.240e-02 3.134e-03 / CHEB/ 8.167e-02 4.476e-02 2.388e-02 7.296e-03 / CHEB/ 5.432e-02 3.151e-02 2.070e-02 9.791e-03 / CHEB/ 2.504e-02 5.828e-03 5.754e-03 4.211e-03 /

3658.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	-1.7	-0.8	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-6.0	-1.7	-0.4	+0.3

Chebyshev(coeffs=[[0.631405,-1.07964,-0.558345,-0.0632907],[4.55662,2.47803,0.0372219,-0.0642678],[0.144322,0.142646,0.197979,0.0145558],[-0.058414,-0.00652128,0.0845744,0.0190231],[-0.00457439,0.0634182,0.023269,0.0110662],[-0.00948239,0.0512565,0.00569506,0.00341302]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.27
S298 (cal/mol*K) = -0.05
G298 (kcal/mol) = -1.25

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(740); H(25), C7H11(740); C7H10(1)+H(25)(+M)=>C7H11(740)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.314e-01 -1.080e+00 -5.583e-01 -6.329e-02 / CHEB/ 4.557e+00 2.478e+00 3.722e-02 -6.427e-02 / CHEB/ 1.443e-01 1.426e-01 1.980e-01 1.456e-02 / CHEB/ -5.841e-02 -6.521e-03 8.457e-02 1.902e-02 / CHEB/ -4.574e-03 6.342e-02 2.327e-02 1.107e-02 / CHEB/ -9.482e-03 5.126e-02 5.695e-03 3.413e-03 /

3659.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.3	-9.8	-4.2	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-26.5	-9.9	-4.3	-1.4

Chebyshev(coeffs=[[-19.1393,-0.369295,-0.22353,-0.097245],[23.5937,0.204245,0.120632,0.0500522],[0.0155389,0.0241871,0.0113263,0.00244271],[0.048013,0.0429503,0.0231217,0.00727482],[0.042455,0.0300486,0.0200009,0.00971648],[0.0205367,0.00559132,0.00554979,0.00409987]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 72.86
S298 (cal/mol*K) = 41.93
G298 (kcal/mol) = 60.37

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(741); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(741)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.914e+01 -3.693e-01 -2.235e-01 -9.725e-02 / CHEB/ 2.359e+01 2.042e-01 1.206e-01 5.005e-02 / CHEB/ 1.554e-02 2.419e-02 1.133e-02 2.443e-03 / CHEB/ 4.801e-02 4.295e-02 2.312e-02 7.275e-03 / CHEB/ 4.246e-02 3.005e-02 2.000e-02 9.716e-03 / CHEB/ 2.054e-02 5.591e-03 5.550e-03 4.100e-03 /

3660.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+1.0	+2.6	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-5.2	+0.2	+2.1	+3.1

Chebyshev(coeffs=[[2.42827,-2.66338,-0.636424,-0.0589515],[6.3047,2.18801,0.195662,-0.0769323],[0.363058,0.0910572,0.183004,0.0290627],[0.00166401,0.000867825,0.0606289,0.0256749],[0.0118937,0.074552,0.0170113,0.00867848],[0.0010103,0.0463459,0.00998142,0.000546128]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.39
S298 (cal/mol*K) = 4.22
G298 (kcal/mol) = -32.64

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(742); H(25), C7H11(742); C7H10(1)+H(25)(+M)=>C7H11(742)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.428e+00 -2.663e+00 -6.364e-01 -5.895e-02 / CHEB/ 6.305e+00 2.188e+00 1.957e-01 -7.693e-02 / CHEB/ 3.631e-01 9.106e-02 1.830e-01 2.906e-02 / CHEB/ 1.664e-03 8.678e-04 6.063e-02 2.567e-02 / CHEB/ 1.189e-02 7.455e-02 1.701e-02 8.678e-03 / CHEB/ 1.010e-03 4.635e-02 9.981e-03 5.461e-04 /

3661.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.5	-12.9	-6.8	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-30.7	-13.1	-6.9	-3.6

Chebyshev(coeffs=[[-23.0932,-0.340207,-0.207447,-0.0913969],[25.0111,0.192589,0.114882,0.0484766],[0.225847,0.0211298,0.00950136,0.00154737],[0.108383,0.0388018,0.0212165,0.00699286],[0.05985,0.0266866,0.0182627,0.00934048],[0.0259966,0.00458616,0.00484528,0.00377168]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.25
S298 (cal/mol*K) = 25.99
G298 (kcal/mol) = 68.51

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(743); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(743)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.309e+01 -3.402e-01 -2.074e-01 -9.140e-02 / CHEB/ 2.501e+01 1.926e-01 1.149e-01 4.848e-02 / CHEB/ 2.258e-01 2.113e-02 9.501e-03 1.547e-03 / CHEB/ 1.084e-01 3.880e-02 2.122e-02 6.993e-03 / CHEB/ 5.985e-02 2.669e-02 1.826e-02 9.340e-03 / CHEB/ 2.600e-02 4.586e-03 4.845e-03 3.772e-03 /

3700.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	+1.3	+3.4	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-6.8	+0.5	+2.9	+4.1

Chebyshev(coeffs=[[1.26275,-2.02275,-0.276212,0.0159467],[8.58063,1.18443,-0.157645,-0.11012],[0.35263,0.438348,0.102761,-0.0299944],[-0.0822327,0.0260114,0.0723201,0.0139971],[-0.0258615,-0.0500665,0.0164808,0.0126025],[0.0246121,-0.0277627,-0.00481901,0.00259811]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.38
S298 (cal/mol*K) = 28.25
G298 (kcal/mol) = 12.96

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H7(744); H(25), CH3(425); C7H9(5)+H(25)(+M)=>CH3(425)+C6H7(744)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.263e+00 -2.023e+00 -2.762e-01 1.595e-02 / CHEB/ 8.581e+00 1.184e+00 -1.576e-01 -1.101e-01 / CHEB/ 3.526e-01 4.383e-01 1.028e-01 -2.999e-02 / CHEB/ -8.223e-02 2.601e-02 7.232e-02 1.400e-02 / CHEB/ -2.586e-02 -5.007e-02 1.648e-02 1.260e-02 / CHEB/ 2.461e-02 -2.776e-02 -4.819e-03 2.598e-03 /

3701.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	+2.5	+4.0	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-4.6	+1.6	+3.6	+4.5

Chebyshev(coeffs=[[3.34366,-2.05534,-0.24702,0.0186782],[7.03113,1.14406,-0.197702,-0.105073],[0.252851,0.464567,0.0955016,-0.038247],[-0.137491,0.0461499,0.0763401,0.0133937],[-0.0473488,-0.0436427,0.0195695,0.0132844],[0.0209609,-0.0275049,-0.00348378,0.00179282]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.94
S298 (cal/mol*K) = 32.64
G298 (kcal/mol) = 7.22

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H5(745); H(25), C2H5(421); C7H9(5)+H(25)(+M)=>C2H5(421)+C5H5(745)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.344e+00 -2.055e+00 -2.470e-01 1.868e-02 / CHEB/ 7.031e+00 1.144e+00 -1.977e-01 -1.051e-01 / CHEB/ 2.529e-01 4.646e-01 9.550e-02 -3.825e-02 / CHEB/ -1.375e-01 4.615e-02 7.634e-02 1.339e-02 / CHEB/ -4.735e-02 -4.364e-02 1.957e-02 1.328e-02 / CHEB/ 2.096e-02 -2.750e-02 -3.484e-03 1.793e-03 /

3702.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-0.5	+1.9	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-1.3	+1.5	+2.9

Chebyshev(coeffs=[[-1.40083,-1.98141,-0.304527,0.0108998],[9.93942,1.21611,-0.11709,-0.11074],[0.402377,0.408266,0.10968,-0.0239894],[-0.0431902,0.00601886,0.0678249,0.014864],[-0.0104556,-0.0547703,0.0126076,0.0127351],[0.0252162,-0.0267573,-0.00630576,0.00320874]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.14
S298 (cal/mol*K) = 20.36
G298 (kcal/mol) = 20.07

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(746); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(746)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.401e+00 -1.981e+00 -3.045e-01 1.090e-02 / CHEB/ 9.939e+00 1.216e+00 -1.171e-01 -1.107e-01 / CHEB/ 4.024e-01 4.083e-01 1.097e-01 -2.399e-02 / CHEB/ -4.319e-02 6.019e-03 6.782e-02 1.486e-02 / CHEB/ -1.046e-02 -5.477e-02 1.261e-02 1.274e-02 / CHEB/ 2.522e-02 -2.676e-02 -6.306e-03 3.209e-03 /

3703.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-1.2	+1.9	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-1.7	+1.7	+3.3

Chebyshev(coeffs=[[-4.27603,-1.72205,-0.409107,-0.00373652],[13.4109,1.20092,0.0524273,-0.114177],[0.200959,0.282589,0.122934,-0.00242348],[-0.0373191,-0.0524625,0.0412048,0.0232063],[-0.00887797,-0.0572682,-0.004854,0.0123002],[0.00376582,-0.015431,-0.00975966,0.00104707]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.28
S298 (cal/mol*K) = 35.59
G298 (kcal/mol) = 29.68

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(747); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C2H3(100)+C5H7(747)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.276e+00 -1.722e+00 -4.091e-01 -3.737e-03 / CHEB/ 1.341e+01 1.201e+00 5.243e-02 -1.142e-01 / CHEB/ 2.010e-01 2.826e-01 1.229e-01 -2.423e-03 / CHEB/ -3.732e-02 -5.246e-02 4.120e-02 2.321e-02 / CHEB/ -8.878e-03 -5.727e-02 -4.854e-03 1.230e-02 / CHEB/ 3.766e-03 -1.543e-02 -9.760e-03 1.047e-03 /

3704.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.9	-3.8	-0.1	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-4.3	-0.4	+1.6

Chebyshev(coeffs=[[-8.27317,-1.59218,-0.445567,-0.01224],[15.618,1.12852,0.117137,-0.10873],[0.234566,0.234097,0.11968,0.00816034],[-0.0208918,-0.0510528,0.0306002,0.024147],[0.00131027,-0.0381961,-0.00638915,0.00853365],[0.00960109,-0.00764059,-0.00783368,-0.00071916]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.60
S298 (cal/mol*K) = 20.92
G298 (kcal/mol) = 40.36

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(748); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(748)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.273e+00 -1.592e+00 -4.456e-01 -1.224e-02 / CHEB/ 1.562e+01 1.129e+00 1.171e-01 -1.087e-01 / CHEB/ 2.346e-01 2.341e-01 1.197e-01 8.160e-03 / CHEB/ -2.089e-02 -5.105e-02 3.060e-02 2.415e-02 / CHEB/ 1.310e-03 -3.820e-02 -6.389e-03 8.534e-03 / CHEB/ 9.601e-03 -7.641e-03 -7.834e-03 -7.192e-04 /

3705.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-1.8	+1.2	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-2.4	+0.9	+2.5

Chebyshev(coeffs=[[-4.14102,-1.85251,-0.365461,0.00198064],[12.2991,1.23696,-0.0229009,-0.112407],[0.368122,0.33521,0.121098,-0.0125533],[-0.0099085,-0.0319837,0.0544378,0.0192173],[0.0022715,-0.0588591,0.00248188,0.0134004],[0.0173105,-0.0212076,-0.00902575,0.00273817]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.08
S298 (cal/mol*K) = 22.11
G298 (kcal/mol) = 28.49

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(749); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(749)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.141e+00 -1.853e+00 -3.655e-01 1.981e-03 / CHEB/ 1.230e+01 1.237e+00 -2.290e-02 -1.124e-01 / CHEB/ 3.681e-01 3.352e-01 1.211e-01 -1.255e-02 / CHEB/ -9.909e-03 -3.198e-02 5.444e-02 1.922e-02 / CHEB/ 2.272e-03 -5.886e-02 2.482e-03 1.340e-02 / CHEB/ 1.731e-02 -2.121e-02 -9.026e-03 2.738e-03 /

3706.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.5	-6.2	-1.7	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-20.5	-6.6	-1.9	+0.4

Chebyshev(coeffs=[[-12.6845,-1.31112,-0.47466,-0.0453418],[18.7568,0.96736,0.214982,-0.0757071],[0.283952,0.172239,0.100662,0.0210473],[0.00619271,-0.076108,0.0047562,0.0235075],[-0.00938973,-0.0410089,-0.0154857,0.00368555],[-0.0167686,-0.000746475,-0.00585796,-0.00292933]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.00
S298 (cal/mol*K) = 21.60
G298 (kcal/mol) = 51.56

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(750); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(750)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.268e+01 -1.311e+00 -4.747e-01 -4.534e-02 / CHEB/ 1.876e+01 9.674e-01 2.150e-01 -7.571e-02 / CHEB/ 2.840e-01 1.722e-01 1.007e-01 2.105e-02 / CHEB/ 6.193e-03 -7.611e-02 4.756e-03 2.351e-02 / CHEB/ -9.390e-03 -4.101e-02 -1.549e-02 3.686e-03 / CHEB/ -1.677e-02 -7.465e-04 -5.858e-03 -2.929e-03 /

3707.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-3.1	-0.4	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-3.8	-0.8	+0.7

Chebyshev(coeffs=[[-5.02428,-1.89477,-0.35701,0.00495429],[11.5175,1.21947,-0.0460342,-0.109416],[0.236822,0.344681,0.120185,-0.0142242],[-0.0702466,-0.00819093,0.0601733,0.0164628],[-0.0160892,-0.0380783,0.00848479,0.0111428],[0.0184529,-0.0144023,-0.00604426,0.00220634]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.72
S298 (cal/mol*K) = 3.80
G298 (kcal/mol) = 24.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(751); H(25), C7H10(751); C7H9(5)+H(25)(+M)=>C7H10(751)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.024e+00 -1.895e+00 -3.570e-01 4.954e-03 / CHEB/ 1.152e+01 1.219e+00 -4.603e-02 -1.094e-01 / CHEB/ 2.368e-01 3.447e-01 1.202e-01 -1.422e-02 / CHEB/ -7.025e-02 -8.191e-03 6.017e-02 1.646e-02 / CHEB/ -1.609e-02 -3.808e-02 8.485e-03 1.114e-02 / CHEB/ 1.845e-02 -1.440e-02 -6.044e-03 2.206e-03 /

3708.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	+2.5	+4.1	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+1.5	+3.6	+4.5

Chebyshev(coeffs=[[3.96955,-2.10108,-0.18681,0.00739206],[6.1841,1.03298,-0.272798,-0.0674295],[0.539652,0.51155,0.0725383,-0.0636667],[-0.107002,0.0857721,0.0861977,0.00879099],[-0.0440586,-0.0255028,0.0246621,0.0179405],[0.026634,-0.0223394,-0.00218479,0.0014455]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.35
S298 (cal/mol*K) = 2.57
G298 (kcal/mol) = 2.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(752); H(25), C7H10(752); C7H9(5)+H(25)(+M)=>C7H10(752)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.970e+00 -2.101e+00 -1.868e-01 7.392e-03 / CHEB/ 6.184e+00 1.033e+00 -2.728e-01 -6.743e-02 / CHEB/ 5.397e-01 5.116e-01 7.254e-02 -6.367e-02 / CHEB/ -1.070e-01 8.577e-02 8.620e-02 8.791e-03 / CHEB/ -4.406e-02 -2.550e-02 2.466e-02 1.794e-02 / CHEB/ 2.663e-02 -2.234e-02 -2.185e-03 1.445e-03 /

3709.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-6.8	-3.1	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-19.1	-7.3	-3.4	-1.4

Chebyshev(coeffs=[[-11.2514,-1.57841,-0.444128,-0.0139942],[15.5411,1.13267,0.121925,-0.108622],[0.276273,0.237412,0.118627,0.00762876],[-0.00239232,-0.0657027,0.0272874,0.0254123],[-0.00150691,-0.0529326,-0.0104917,0.00974214],[-0.00222274,-0.00961493,-0.00918156,-0.000790191]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.92
S298 (cal/mol*K) = 3.38
G298 (kcal/mol) = 26.92

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(753); H(25), C7H10(753); C7H9(5)+H(25)(+M)=>C7H10(753)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.125e+01 -1.578e+00 -4.441e-01 -1.399e-02 / CHEB/ 1.554e+01 1.133e+00 1.219e-01 -1.086e-01 / CHEB/ 2.763e-01 2.374e-01 1.186e-01 7.629e-03 / CHEB/ -2.392e-03 -6.570e-02 2.729e-02 2.541e-02 / CHEB/ -1.507e-03 -5.293e-02 -1.049e-02 9.742e-03 / CHEB/ -2.223e-03 -9.615e-03 -9.182e-03 -7.902e-04 /

3710.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-3.6	-1.2	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-4.4	-1.6	-0.2

Chebyshev(coeffs=[[-4.00741,-2.01797,-0.277683,0.0154788],[9.32716,1.18962,-0.154575,-0.110301],[0.519863,0.436586,0.104225,-0.0293474],[-0.030067,0.0234103,0.0720142,0.0142547],[0.00623927,-0.0513549,0.0159402,0.0126366],[0.0384246,-0.0282904,-0.00531661,0.00263749]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.26
S298 (cal/mol*K) = -1.26
G298 (kcal/mol) = 12.64

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(427); H(25), C7H10(427); C7H9(5)+H(25)(+M)=>C7H10(427)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.007e+00 -2.018e+00 -2.777e-01 1.548e-02 / CHEB/ 9.327e+00 1.190e+00 -1.546e-01 -1.103e-01 / CHEB/ 5.199e-01 4.366e-01 1.042e-01 -2.935e-02 / CHEB/ -3.007e-02 2.341e-02 7.201e-02 1.425e-02 / CHEB/ 6.239e-03 -5.135e-02 1.594e-02 1.264e-02 / CHEB/ 3.842e-02 -2.829e-02 -5.317e-03 2.637e-03 /

3711.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	+0.1	+1.6	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-6.2	-0.9	+1.0	+1.9

Chebyshev(coeffs=[[2.0887,-2.11096,-0.169696,-0.00183448],[5.45937,0.980151,-0.28945,-0.0463379],[0.536397,0.527743,0.0568893,-0.0729956],[-0.124377,0.0996806,0.0905459,0.00440263],[-0.0520129,-0.0174933,0.0272286,0.0202159],[0.024069,-0.0187103,-0.00244616,0.002362]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.35
S298 (cal/mol*K) = 2.57
G298 (kcal/mol) = 2.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(754); H(25), C7H10(754); C7H9(5)+H(25)(+M)=>C7H10(754)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.089e+00 -2.111e+00 -1.697e-01 -1.834e-03 / CHEB/ 5.459e+00 9.802e-01 -2.894e-01 -4.634e-02 / CHEB/ 5.364e-01 5.277e-01 5.689e-02 -7.300e-02 / CHEB/ -1.244e-01 9.968e-02 9.055e-02 4.403e-03 / CHEB/ -5.201e-02 -1.749e-02 2.723e-02 2.022e-02 / CHEB/ 2.407e-02 -1.871e-02 -2.446e-03 2.362e-03 /

3712.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-4.8	-2.1	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-14.5	-5.5	-2.5	-0.9

Chebyshev(coeffs=[[-6.38942,-1.93141,-0.331477,0.00627364],[11.0576,1.23481,-0.0767143,-0.110812],[0.404249,0.376514,0.115664,-0.0190624],[-0.0215641,-0.0120673,0.0625916,0.0163864],[-0.00187942,-0.057578,0.00828832,0.0131672],[0.022974,-0.0247676,-0.00767644,0.00333292]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.66
S298 (cal/mol*K) = -0.58
G298 (kcal/mol) = 23.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(429); H(25), C7H10(429); C7H9(5)+H(25)(+M)=>C7H10(429)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.389e+00 -1.931e+00 -3.315e-01 6.274e-03 / CHEB/ 1.106e+01 1.235e+00 -7.671e-02 -1.108e-01 / CHEB/ 4.042e-01 3.765e-01 1.157e-01 -1.906e-02 / CHEB/ -2.156e-02 -1.207e-02 6.259e-02 1.639e-02 / CHEB/ -1.879e-03 -5.758e-02 8.288e-03 1.317e-02 / CHEB/ 2.297e-02 -2.477e-02 -7.676e-03 3.333e-03 /

3713.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+1.1	+2.3	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-4.7	+0.1	+1.7	+2.5

Chebyshev(coeffs=[[3.47152,-2.1163,-0.161523,-0.00803504],[4.76488,0.944257,-0.295024,-0.0328036],[0.472551,0.536711,0.0444333,-0.0776984],[-0.150589,0.108829,0.0929717,0.00063349],[-0.0622889,-0.0121291,0.0294226,0.0215231],[0.0202583,-0.0159535,-0.00273131,0.0032914]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.70
S298 (cal/mol*K) = 4.28
G298 (kcal/mol) = -0.57

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(718); H(25), C7H10(718); C7H9(5)+H(25)(+M)=>C7H10(718)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.472e+00 -2.116e+00 -1.615e-01 -8.035e-03 / CHEB/ 4.765e+00 9.443e-01 -2.950e-01 -3.280e-02 / CHEB/ 4.726e-01 5.367e-01 4.443e-02 -7.770e-02 / CHEB/ -1.506e-01 1.088e-01 9.297e-02 6.335e-04 / CHEB/ -6.229e-02 -1.213e-02 2.942e-02 2.152e-02 / CHEB/ 2.026e-02 -1.595e-02 -2.731e-03 3.291e-03 /

3714.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-2.7	-0.3	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-11.5	-3.5	-0.7	+0.6

Chebyshev(coeffs=[[-3.41951,-1.99217,-0.297829,0.0121544],[9.66639,1.20954,-0.126847,-0.11076],[0.402298,0.415759,0.108073,-0.0252882],[-0.0488502,0.0107124,0.0689679,0.0146008],[-0.0128342,-0.0538127,0.0135968,0.0126536],[0.0255996,-0.0271035,-0.00594884,0.00310009]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.60
S298 (cal/mol*K) = 3.88
G298 (kcal/mol) = 17.45

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(755); H(25), C7H10(755); C7H9(5)+H(25)(+M)=>C7H10(755)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.420e+00 -1.992e+00 -2.978e-01 1.215e-02 / CHEB/ 9.666e+00 1.210e+00 -1.268e-01 -1.108e-01 / CHEB/ 4.023e-01 4.158e-01 1.081e-01 -2.529e-02 / CHEB/ -4.885e-02 1.071e-02 6.897e-02 1.460e-02 / CHEB/ -1.283e-02 -5.381e-02 1.360e-02 1.265e-02 / CHEB/ 2.560e-02 -2.710e-02 -5.949e-03 3.100e-03 /

3715.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.7	-5.6	-1.6	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-18.8	-5.9	-1.8	+0.2

Chebyshev(coeffs=[[-11.1009,-1.38271,-0.471046,-0.0358568],[17.2421,1.01505,0.194987,-0.0868474],[0.138999,0.187861,0.106344,0.0182013],[-0.036447,-0.0747423,0.0102266,0.0246904],[-0.0204079,-0.0445277,-0.0148093,0.00533515],[-0.018005,-0.00283696,-0.00693109,-0.00255938]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.10
S298 (cal/mol*K) = 28.19
G298 (kcal/mol) = 45.70

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(731); H(25), CH2(137); C7H9(5)+H(25)(+M)=>CH2(137)+C6H8(731)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.110e+01 -1.383e+00 -4.710e-01 -3.586e-02 / CHEB/ 1.724e+01 1.015e+00 1.950e-01 -8.685e-02 / CHEB/ 1.390e-01 1.879e-01 1.063e-01 1.820e-02 / CHEB/ -3.645e-02 -7.474e-02 1.023e-02 2.469e-02 / CHEB/ -2.041e-02 -4.453e-02 -1.481e-02 5.335e-03 / CHEB/ -1.800e-02 -2.837e-03 -6.931e-03 -2.559e-03 /

3716.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	+1.0	+2.2	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-4.8	-0.1	+1.6	+2.4

Chebyshev(coeffs=[[3.47529,-2.12589,-0.152237,-0.0172653],[4.59004,0.885921,-0.297082,-0.012861],[0.55414,0.546497,0.0219047,-0.0822634],[-0.130509,0.124872,0.0949483,-0.00693014],[-0.0592858,-0.00299825,0.0341084,0.023011],[0.0207147,-0.0108553,-0.00305375,0.00527955]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.49
S298 (cal/mol*K) = 8.73
G298 (kcal/mol) = -4.09

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(756); H(25), C7H10(756); C7H9(5)+H(25)(+M)=>C7H10(756)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.475e+00 -2.126e+00 -1.522e-01 -1.727e-02 / CHEB/ 4.590e+00 8.859e-01 -2.971e-01 -1.286e-02 / CHEB/ 5.541e-01 5.465e-01 2.190e-02 -8.226e-02 / CHEB/ -1.305e-01 1.249e-01 9.495e-02 -6.930e-03 / CHEB/ -5.929e-02 -2.998e-03 3.411e-02 2.301e-02 / CHEB/ 2.071e-02 -1.086e-02 -3.054e-03 5.280e-03 /

3717.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.3	+3.0	+3.9	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-1.7	+1.9	+3.2	+3.8

Chebyshev(coeffs=[[6.38803,-2.15697,-0.138911,-0.0326518],[3.24732,0.76207,-0.284557,0.0211797],[0.417251,0.546836,-0.0278617,-0.0795445],[-0.134836,0.166591,0.0859773,-0.0270997],[-0.0650841,0.0228365,0.0479129,0.0209455],[0.0136183,0.00275337,-8.27823e-05,0.0109664]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -54.86
S298 (cal/mol*K) = -5.69
G298 (kcal/mol) = -53.17

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(711); H(25), C7H10(711); C7H9(5)+H(25)(+M)=>C7H10(711)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.388e+00 -2.157e+00 -1.389e-01 -3.265e-02 / CHEB/ 3.247e+00 7.621e-01 -2.846e-01 2.118e-02 / CHEB/ 4.173e-01 5.468e-01 -2.786e-02 -7.954e-02 / CHEB/ -1.348e-01 1.666e-01 8.598e-02 -2.710e-02 / CHEB/ -6.508e-02 2.284e-02 4.791e-02 2.095e-02 / CHEB/ 1.362e-02 2.753e-03 -8.278e-05 1.097e-02 /

3718.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	-0.6	+1.9	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-1.3	+1.6	+3.0

Chebyshev(coeffs=[[-1.85459,-1.94272,-0.325865,0.00714874],[10.5355,1.23205,-0.085278,-0.110724],[0.340151,0.383274,0.11451,-0.0200765],[-0.0445977,-0.00844093,0.0637685,0.0160076],[-0.00971402,-0.05713,0.00922268,0.0130779],[0.0213446,-0.0252527,-0.00740596,0.00335148]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.04
S298 (cal/mol*K) = 18.31
G298 (kcal/mol) = 17.58

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(757); H(25), C7H10(757); C7H9(5)+H(25)(+M)=>C7H10(757)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.855e+00 -1.943e+00 -3.259e-01 7.149e-03 / CHEB/ 1.054e+01 1.232e+00 -8.528e-02 -1.107e-01 / CHEB/ 3.402e-01 3.833e-01 1.145e-01 -2.008e-02 / CHEB/ -4.460e-02 -8.441e-03 6.377e-02 1.601e-02 / CHEB/ -9.714e-03 -5.713e-02 9.223e-03 1.308e-02 / CHEB/ 2.134e-02 -2.525e-02 -7.406e-03 3.351e-03 /

3719.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	+1.1	+3.0	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-6.8	+0.3	+2.5	+3.6

Chebyshev(coeffs=[[1.28339,-2.0509,-0.268755,0.0205333],[8.16158,1.13244,-0.176972,-0.105796],[0.309066,0.442284,0.099129,-0.0318569],[-0.125126,0.0527023,0.0753733,0.0120162],[-0.0455359,-0.0235297,0.0211431,0.00985607],[0.0179018,-0.0144314,-0.00112599,0.000636754]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.89
S298 (cal/mol*K) = 19.66
G298 (kcal/mol) = 8.03

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(758); H(25), C7H10(758); C7H9(5)+H(25)(+M)=>C7H10(758)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.283e+00 -2.051e+00 -2.688e-01 2.053e-02 / CHEB/ 8.162e+00 1.132e+00 -1.770e-01 -1.058e-01 / CHEB/ 3.091e-01 4.423e-01 9.913e-02 -3.186e-02 / CHEB/ -1.251e-01 5.270e-02 7.537e-02 1.202e-02 / CHEB/ -4.554e-02 -2.353e-02 2.114e-02 9.856e-03 / CHEB/ 1.790e-02 -1.443e-02 -1.126e-03 6.368e-04 /

3720.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.0	-2.4	+0.5	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-3.0	+0.2	+1.8

Chebyshev(coeffs=[[-4.41458,-1.88473,-0.352506,0.00345447],[11.7995,1.23915,-0.043832,-0.111617],[0.376215,0.350957,0.119375,-0.015142],[-0.0154168,-0.024821,0.0577597,0.018051],[0.000519968,-0.0586474,0.0047081,0.0133953],[0.0194557,-0.022676,-0.00857868,0.00305675]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.31
S298 (cal/mol*K) = -0.50
G298 (kcal/mol) = 28.46

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(759); H(25), C7H10(759); C7H9(5)+H(25)(+M)=>C7H10(759)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.415e+00 -1.885e+00 -3.525e-01 3.454e-03 / CHEB/ 1.180e+01 1.239e+00 -4.383e-02 -1.116e-01 / CHEB/ 3.762e-01 3.510e-01 1.194e-01 -1.514e-02 / CHEB/ -1.542e-02 -2.482e-02 5.776e-02 1.805e-02 / CHEB/ 5.200e-04 -5.865e-02 4.708e-03 1.340e-02 / CHEB/ 1.946e-02 -2.268e-02 -8.579e-03 3.057e-03 /

3721.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+4.5	+5.0	+5.0
log₁₀(k(10 bar)/[mole,m,s])	+0.5	+3.2	+4.1	+4.5

Chebyshev(coeffs=[[8.3447,-2.20313,-0.131367,-0.0373826],[2.34892,0.655211,-0.273173,0.0393415],[0.195553,0.514078,-0.0586095,-0.0703238],[-0.178396,0.185803,0.0667987,-0.0392499],[-0.084055,0.0462986,0.0527875,0.0131922],[0.00501723,0.0180304,0.00560454,0.012788]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -57.42
S298 (cal/mol*K) = -13.76
G298 (kcal/mol) = -53.32

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(760); H(25), C7H10(760); C7H9(5)+H(25)(+M)=>C7H10(760)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.345e+00 -2.203e+00 -1.314e-01 -3.738e-02 / CHEB/ 2.349e+00 6.552e-01 -2.732e-01 3.934e-02 / CHEB/ 1.956e-01 5.141e-01 -5.861e-02 -7.032e-02 / CHEB/ -1.784e-01 1.858e-01 6.680e-02 -3.925e-02 / CHEB/ -8.405e-02 4.630e-02 5.279e-02 1.319e-02 / CHEB/ 5.017e-03 1.803e-02 5.605e-03 1.279e-02 /

3746.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.1	-5.6	-2.2	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-6.1	-2.5	-0.5

Chebyshev(coeffs=[[-8.7068,-1.1245,-0.555899,-0.159103],[13.7276,0.818989,0.354398,0.0652097],[0.303367,0.0630381,0.057899,0.0337685],[0.0965974,0.0589388,0.0284952,0.00816388],[0.0583057,0.0607582,0.0269991,0.0036685],[0.0286239,0.0186565,0.0116212,0.00378254]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.75
S298 (cal/mol*K) = 21.98
G298 (kcal/mol) = 28.20

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(761); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(761)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.707e+00 -1.124e+00 -5.559e-01 -1.591e-01 / CHEB/ 1.373e+01 8.190e-01 3.544e-01 6.521e-02 / CHEB/ 3.034e-01 6.304e-02 5.790e-02 3.377e-02 / CHEB/ 9.660e-02 5.894e-02 2.850e-02 8.164e-03 / CHEB/ 5.831e-02 6.076e-02 2.700e-02 3.669e-03 / CHEB/ 2.862e-02 1.866e-02 1.162e-02 3.783e-03 /

3747.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	+1.6	+2.9	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+0.7	+2.4	+3.4

Chebyshev(coeffs=[[3.42812,-2.88873,-0.58073,-0.0625923],[5.56936,2.40378,0.104707,-0.0660722],[0.351711,0.101989,0.202705,0.0206533],[0.00189766,-0.00995865,0.0734771,0.0233803],[0.0141688,0.0691746,0.017841,0.0108547],[0.000181912,0.0495694,0.00670833,0.00208209]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.34
S298 (cal/mol*K) = 22.19
G298 (kcal/mol) = -7.95

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(762); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(762)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.428e+00 -2.889e+00 -5.807e-01 -6.259e-02 / CHEB/ 5.569e+00 2.404e+00 1.047e-01 -6.607e-02 / CHEB/ 3.517e-01 1.020e-01 2.027e-01 2.065e-02 / CHEB/ 1.898e-03 -9.959e-03 7.348e-02 2.338e-02 / CHEB/ 1.417e-02 6.917e-02 1.784e-02 1.085e-02 / CHEB/ 1.819e-04 4.957e-02 6.708e-03 2.082e-03 /

3748.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+2.2	+3.4	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+1.3	+3.0	+3.8

Chebyshev(coeffs=[[4.07647,-2.90881,-0.584344,-0.0620072],[5.45449,2.39209,0.0987528,-0.0676242],[0.302195,0.10854,0.199698,0.0195514],[-0.0166415,-0.00722327,0.0744658,0.0227538],[0.00639231,0.0696664,0.0187789,0.0107873],[-0.0032018,0.0500999,0.00692276,0.0021691]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.10
S298 (cal/mol*K) = 32.21
G298 (kcal/mol) = -19.70

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(763); H(25), CH3(425); C7H10(1)+H(25)(+M)=>CH3(425)+C6H8(763)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.076e+00 -2.909e+00 -5.843e-01 -6.201e-02 / CHEB/ 5.454e+00 2.392e+00 9.875e-02 -6.762e-02 / CHEB/ 3.022e-01 1.085e-01 1.997e-01 1.955e-02 / CHEB/ -1.664e-02 -7.223e-03 7.447e-02 2.275e-02 / CHEB/ 6.392e-03 6.967e-02 1.878e-02 1.079e-02 / CHEB/ -3.202e-03 5.010e-02 6.923e-03 2.169e-03 /

3749.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.1	-7.5	-3.8	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-18.7	-7.9	-4.0	-2.0

Chebyshev(coeffs=[[-11.6435,-0.930335,-0.488148,-0.160425],[15.3404,0.626183,0.296389,0.0738858],[0.166381,0.0588982,0.0464573,0.0267576],[0.0590322,0.0662865,0.031268,0.00707063],[0.0364149,0.0594245,0.0285032,0.00522277],[0.0214837,0.0166501,0.0110624,0.00445014]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.13
S298 (cal/mol*K) = 0.68
G298 (kcal/mol) = 3.93

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(764); H(25), C7H11(764); C7H10(1)+H(25)(+M)=>C7H11(764)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.164e+01 -9.303e-01 -4.881e-01 -1.604e-01 / CHEB/ 1.534e+01 6.262e-01 2.964e-01 7.389e-02 / CHEB/ 1.664e-01 5.890e-02 4.646e-02 2.676e-02 / CHEB/ 5.903e-02 6.629e-02 3.127e-02 7.071e-03 / CHEB/ 3.641e-02 5.942e-02 2.850e-02 5.223e-03 / CHEB/ 2.148e-02 1.665e-02 1.106e-02 4.450e-03 /

3750.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.8	-5.9	-2.8	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-15.6	-6.3	-3.0	-1.2

Chebyshev(coeffs=[[-8.54949,-1.2055,-0.584572,-0.159348],[12.9721,0.857749,0.359722,0.0582815],[0.197409,0.0751185,0.0647485,0.0349873],[0.059772,0.0614659,0.0300919,0.00914771],[0.0423602,0.0641544,0.027603,0.00337109],[0.0213222,0.0222515,0.0128842,0.00349856]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.37
S298 (cal/mol*K) = 0.68
G298 (kcal/mol) = -3.57

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(765); H(25), C7H11(765); C7H10(1)+H(25)(+M)=>C7H11(765)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.549e+00 -1.206e+00 -5.846e-01 -1.593e-01 / CHEB/ 1.297e+01 8.577e-01 3.597e-01 5.828e-02 / CHEB/ 1.974e-01 7.512e-02 6.475e-02 3.499e-02 / CHEB/ 5.977e-02 6.147e-02 3.009e-02 9.148e-03 / CHEB/ 4.236e-02 6.415e-02 2.760e-02 3.371e-03 / CHEB/ 2.132e-02 2.225e-02 1.288e-02 3.499e-03 /

3751.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.3	-7.7	-4.1	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-18.8	-8.1	-4.3	-2.2

Chebyshev(coeffs=[[-11.7851,-0.94466,-0.493447,-0.160539],[15.1896,0.64268,0.302173,0.0737862],[0.177314,0.058968,0.0472357,0.0273597],[0.0702796,0.0653445,0.0308405,0.00707442],[0.0482351,0.0591066,0.0282037,0.00505295],[0.025174,0.0165447,0.0109977,0.00439406]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.13
S298 (cal/mol*K) = 0.68
G298 (kcal/mol) = 3.93

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(766); H(25), C7H11(766); C7H10(1)+H(25)(+M)=>C7H11(766)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.179e+01 -9.447e-01 -4.934e-01 -1.605e-01 / CHEB/ 1.519e+01 6.427e-01 3.022e-01 7.379e-02 / CHEB/ 1.773e-01 5.897e-02 4.724e-02 2.736e-02 / CHEB/ 7.028e-02 6.534e-02 3.084e-02 7.074e-03 / CHEB/ 4.824e-02 5.911e-02 2.820e-02 5.053e-03 / CHEB/ 2.517e-02 1.654e-02 1.100e-02 4.394e-03 /

3752.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.4	-5.4	-2.2	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-5.9	-2.4	-0.5

Chebyshev(coeffs=[[-7.99059,-1.23376,-0.589155,-0.155224],[12.9225,0.916966,0.37608,0.0557142],[0.330649,0.0672267,0.0651945,0.0370009],[0.0954145,0.0557912,0.0279631,0.00934283],[0.0561262,0.0624588,0.0265606,0.00312096],[0.0275079,0.0207899,0.0122685,0.00338027]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.27
S298 (cal/mol*K) = -0.05
G298 (kcal/mol) = -1.25

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(767); H(25), C7H11(767); C7H10(1)+H(25)(+M)=>C7H11(767)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.991e+00 -1.234e+00 -5.892e-01 -1.552e-01 / CHEB/ 1.292e+01 9.170e-01 3.761e-01 5.571e-02 / CHEB/ 3.306e-01 6.723e-02 6.519e-02 3.700e-02 / CHEB/ 9.541e-02 5.579e-02 2.796e-02 9.343e-03 / CHEB/ 5.613e-02 6.246e-02 2.656e-02 3.121e-03 / CHEB/ 2.751e-02 2.079e-02 1.227e-02 3.380e-03 /

3753.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	-6.6	-3.3	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-16.7	-7.1	-3.5	-1.5

Chebyshev(coeffs=[[-9.49255,-1.1708,-0.570005,-0.15736],[13.3966,0.865216,0.365779,0.0615333],[0.333632,0.0635769,0.0607352,0.0353428],[0.101472,0.0569471,0.0279318,0.0086005],[0.0594903,0.0611405,0.0266663,0.00339338],[0.0291175,0.0192468,0.011779,0.00360998]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.23
S298 (cal/mol*K) = -0.85
G298 (kcal/mol) = 1.48

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(768); H(25), C7H11(768); C7H10(1)+H(25)(+M)=>C7H11(768)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.493e+00 -1.171e+00 -5.700e-01 -1.574e-01 / CHEB/ 1.340e+01 8.652e-01 3.658e-01 6.153e-02 / CHEB/ 3.336e-01 6.358e-02 6.074e-02 3.534e-02 / CHEB/ 1.015e-01 5.695e-02 2.793e-02 8.601e-03 / CHEB/ 5.949e-02 6.114e-02 2.667e-02 3.393e-03 / CHEB/ 2.912e-02 1.925e-02 1.178e-02 3.610e-03 /

3754.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-4.0	-1.9	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-4.7	-2.3	-0.9

Chebyshev(coeffs=[[-3.41668,-2.2754,-0.671567,-0.0693041],[7.80085,1.92335,0.322695,-0.0657491],[0.535573,0.0600102,0.157048,0.0446897],[0.0693705,0.00954861,0.0408115,0.0262154],[0.0384847,0.0730418,0.0170386,0.00449675],[0.0175208,0.0376029,0.0123148,-0.00020799]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.27
S298 (cal/mol*K) = -0.05
G298 (kcal/mol) = -1.25

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(769); H(25), C7H11(769); C7H10(1)+H(25)(+M)=>C7H11(769)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.417e+00 -2.275e+00 -6.716e-01 -6.930e-02 / CHEB/ 7.801e+00 1.923e+00 3.227e-01 -6.575e-02 / CHEB/ 5.356e-01 6.001e-02 1.570e-01 4.469e-02 / CHEB/ 6.937e-02 9.549e-03 4.081e-02 2.622e-02 / CHEB/ 3.848e-02 7.304e-02 1.704e-02 4.497e-03 / CHEB/ 1.752e-02 3.760e-02 1.231e-02 -2.080e-04 /

3755.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-41.1	-17.9	-10.1	-6.1
log₁₀(k(10 bar)/[mole,m,s])	-41.1	-18.0	-10.1	-6.1

Chebyshev(coeffs=[[-33.1521,-0.148532,-0.0966416,-0.0477478],[32.8466,0.0669516,0.0432428,0.0210382],[0.0987788,0.00357421,0.000365428,-0.00154511],[0.0574246,0.0178512,0.0110842,0.00499389],[0.0315047,0.0137307,0.0099433,0.00578167],[0.011758,0.00462378,0.00363415,0.00233264]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 102.73
S298 (cal/mol*K) = 32.61
G298 (kcal/mol) = 93.02

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(770); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(770)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.315e+01 -1.485e-01 -9.664e-02 -4.775e-02 / CHEB/ 3.285e+01 6.695e-02 4.324e-02 2.104e-02 / CHEB/ 9.878e-02 3.574e-03 3.654e-04 -1.545e-03 / CHEB/ 5.742e-02 1.785e-02 1.108e-02 4.994e-03 / CHEB/ 3.150e-02 1.373e-02 9.943e-03 5.782e-03 / CHEB/ 1.176e-02 4.624e-03 3.634e-03 2.333e-03 /

3756.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-40.5	-17.2	-9.3	-5.3
log₁₀(k(10 bar)/[mole,m,s])	-40.5	-17.3	-9.4	-5.3

Chebyshev(coeffs=[[-32.5233,-0.148532,-0.0966416,-0.0477478],[32.9586,0.0669516,0.0432428,0.0210382],[0.123521,0.00357421,0.000365428,-0.00154511],[0.0647091,0.0178512,0.0110842,0.00499389],[0.0339166,0.0137307,0.0099433,0.00578167],[0.0126077,0.00462378,0.00363415,0.00233264]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 102.73
S298 (cal/mol*K) = 32.61
G298 (kcal/mol) = 93.02

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(771); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(771)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.252e+01 -1.485e-01 -9.664e-02 -4.775e-02 / CHEB/ 3.296e+01 6.695e-02 4.324e-02 2.104e-02 / CHEB/ 1.235e-01 3.574e-03 3.654e-04 -1.545e-03 / CHEB/ 6.471e-02 1.785e-02 1.108e-02 4.994e-03 / CHEB/ 3.392e-02 1.373e-02 9.943e-03 5.782e-03 / CHEB/ 1.261e-02 4.624e-03 3.634e-03 2.333e-03 /

3757.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.4	-12.0	-5.6	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-31.5	-12.1	-5.7	-2.4

Chebyshev(coeffs=[[-24.0341,-0.232827,-0.146838,-0.0686038],[27.6551,0.117308,0.0732356,0.033487],[-0.0789464,0.0121745,0.00430929,-0.000842242],[0.0161179,0.0281438,0.0164104,0.00643242],[0.0257321,0.0196682,0.0141096,0.0079523],[0.0118563,0.00469449,0.00427554,0.00308975]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.29
S298 (cal/mol*K) = 42.71
G298 (kcal/mol) = 74.56

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(772); H(25), CH3(425); C7H10(1)+H(25)(+M)=>CH3(425)+C6H8(772)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.403e+01 -2.328e-01 -1.468e-01 -6.860e-02 / CHEB/ 2.766e+01 1.173e-01 7.324e-02 3.349e-02 / CHEB/ -7.895e-02 1.217e-02 4.309e-03 -8.422e-04 / CHEB/ 1.612e-02 2.814e-02 1.641e-02 6.432e-03 / CHEB/ 2.573e-02 1.967e-02 1.411e-02 7.952e-03 / CHEB/ 1.186e-02 4.694e-03 4.276e-03 3.090e-03 /

3758.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.1	-15.6	-8.3	-4.5
log₁₀(k(10 bar)/[mole,m,s])	-37.2	-15.7	-8.3	-4.5

Chebyshev(coeffs=[[-29.3931,-0.187536,-0.120175,-0.0577718],[30.6206,0.0899349,0.0571701,0.0270114],[0.112002,0.00759983,0.00216003,-0.00131089],[0.0672988,0.0226616,0.0136518,0.00576855],[0.038686,0.0164108,0.0118978,0.00687531],[0.0152539,0.00465209,0.00392871,0.00269048]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 95.23
S298 (cal/mol*K) = 32.61
G298 (kcal/mol) = 85.52

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(773); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(773)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.939e+01 -1.875e-01 -1.202e-01 -5.777e-02 / CHEB/ 3.062e+01 8.993e-02 5.717e-02 2.701e-02 / CHEB/ 1.120e-01 7.600e-03 2.160e-03 -1.311e-03 / CHEB/ 6.730e-02 2.266e-02 1.365e-02 5.769e-03 / CHEB/ 3.869e-02 1.641e-02 1.190e-02 6.875e-03 / CHEB/ 1.525e-02 4.652e-03 3.929e-03 2.690e-03 /

3759.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.3	-16.4	-8.9	-5.1
log₁₀(k(10 bar)/[mole,m,s])	-38.4	-16.4	-8.9	-5.1

Chebyshev(coeffs=[[-30.5257,-0.177159,-0.113969,-0.0551738],[31.1999,0.083799,0.0534915,0.0254667],[0.117596,0.00650548,0.00166338,-0.00139051],[0.067248,0.0213801,0.0129819,0.00558074],[0.0376692,0.0156873,0.0113813,0.00659779],[0.0146541,0.00464836,0.00385141,0.00259604]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.33
S298 (cal/mol*K) = 31.88
G298 (kcal/mol) = 87.83

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(774); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(774)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.053e+01 -1.772e-01 -1.140e-01 -5.517e-02 / CHEB/ 3.120e+01 8.380e-02 5.349e-02 2.547e-02 / CHEB/ 1.176e-01 6.505e-03 1.663e-03 -1.391e-03 / CHEB/ 6.725e-02 2.138e-02 1.298e-02 5.581e-03 / CHEB/ 3.767e-02 1.569e-02 1.138e-02 6.598e-03 / CHEB/ 1.465e-02 4.648e-03 3.851e-03 2.596e-03 /

3760.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.3	-16.4	-8.9	-5.1
log₁₀(k(10 bar)/[mole,m,s])	-38.4	-16.4	-8.9	-5.1

H298 (kcal/mol) = 97.33
S298 (cal/mol*K) = 31.88
G298 (kcal/mol) = 87.83

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(775); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(775)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.053e+01 -1.772e-01 -1.140e-01 -5.517e-02 / CHEB/ 3.120e+01 8.380e-02 5.349e-02 2.547e-02 / CHEB/ 1.176e-01 6.505e-03 1.663e-03 -1.391e-03 / CHEB/ 6.725e-02 2.138e-02 1.298e-02 5.581e-03 / CHEB/ 3.767e-02 1.569e-02 1.138e-02 6.598e-03 / CHEB/ 1.465e-02 4.648e-03 3.851e-03 2.596e-03 /

3761.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.0	-16.2	-8.4	-4.3
log₁₀(k(10 bar)/[mole,m,s])	-39.1	-16.3	-8.4	-4.3

Chebyshev(coeffs=[[-31.0264,-0.161239,-0.104346,-0.0510579],[32.3159,0.0770791,0.0494735,0.0237933],[0.210191,0.0047522,0.000892822,-0.00147514],[0.0973056,0.0189666,0.01168,0.00517366],[0.0496823,0.0141415,0.0103131,0.00603999],[0.0176709,0.00439631,0.00357152,0.00236971]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.83
S298 (cal/mol*K) = 31.08
G298 (kcal/mol) = 90.57

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(776); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(776)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.103e+01 -1.612e-01 -1.043e-01 -5.106e-02 / CHEB/ 3.232e+01 7.708e-02 4.947e-02 2.379e-02 / CHEB/ 2.102e-01 4.752e-03 8.928e-04 -1.475e-03 / CHEB/ 9.731e-02 1.897e-02 1.168e-02 5.174e-03 / CHEB/ 4.968e-02 1.414e-02 1.031e-02 6.040e-03 / CHEB/ 1.767e-02 4.396e-03 3.572e-03 2.370e-03 /

3762.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-3.1	-0.8	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-3.8	-1.1	+0.3

Chebyshev(coeffs=[[-3.97072,-1.71562,-0.69312,-0.121223],[9.9271,1.30336,0.40402,-0.00359213],[0.276812,0.09649,0.099635,0.0436206],[0.0371237,0.0437002,0.0319271,0.0166656],[0.0237403,0.0702607,0.0248525,0.00258468],[0.0120873,0.0322375,0.0147482,0.00157225]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.27
S298 (cal/mol*K) = 7.96
G298 (kcal/mol) = -9.64

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(646); H(25), C7H11(646); C7H10(1)+H(25)(+M)=>C7H11(646)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.971e+00 -1.716e+00 -6.931e-01 -1.212e-01 / CHEB/ 9.927e+00 1.303e+00 4.040e-01 -3.592e-03 / CHEB/ 2.768e-01 9.649e-02 9.963e-02 4.362e-02 / CHEB/ 3.712e-02 4.370e-02 3.193e-02 1.667e-02 / CHEB/ 2.374e-02 7.026e-02 2.485e-02 2.585e-03 / CHEB/ 1.209e-02 3.224e-02 1.475e-02 1.572e-03 /

3763.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-42.8	-18.3	-10.1	-5.9
log₁₀(k(10 bar)/[mole,m,s])	-42.8	-18.4	-10.1	-5.9

Chebyshev(coeffs=[[-34.748,-0.122497,-0.0805923,-0.0406164],[34.6634,0.0518884,0.0338892,0.0168294],[0.0771175,0.000992081,-0.000766867,-0.00164689],[0.0462099,0.0146447,0.00928617,0.00436287],[0.0249667,0.0119844,0.0086189,0.00498473],[0.00883627,0.00454904,0.00341529,0.00208686]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 108.44
S298 (cal/mol*K) = 38.41
G298 (kcal/mol) = 97.00

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(777); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(777)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.475e+01 -1.225e-01 -8.059e-02 -4.062e-02 / CHEB/ 3.466e+01 5.189e-02 3.389e-02 1.683e-02 / CHEB/ 7.712e-02 9.921e-04 -7.669e-04 -1.647e-03 / CHEB/ 4.621e-02 1.464e-02 9.286e-03 4.363e-03 / CHEB/ 2.497e-02 1.198e-02 8.619e-03 4.985e-03 / CHEB/ 8.836e-03 4.549e-03 3.415e-03 2.087e-03 /

3764.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-6.1	-2.9	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-16.0	-6.5	-3.1	-1.3

Chebyshev(coeffs=[[-8.98495,-1.15744,-0.569543,-0.160849],[13.353,0.81621,0.350202,0.0622075],[0.194445,0.0720525,0.0613756,0.0337294],[0.0634765,0.0631805,0.0304668,0.00866193],[0.0450763,0.0641208,0.0280818,0.00363526],[0.0223949,0.0214233,0.0126685,0.00369617]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.06
S298 (cal/mol*K) = -5.04
G298 (kcal/mol) = -8.55

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(778); H(25), C7H11(778); C7H10(1)+H(25)(+M)=>C7H11(778)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.985e+00 -1.157e+00 -5.695e-01 -1.608e-01 / CHEB/ 1.335e+01 8.162e-01 3.502e-01 6.221e-02 / CHEB/ 1.944e-01 7.205e-02 6.138e-02 3.373e-02 / CHEB/ 6.348e-02 6.318e-02 3.047e-02 8.662e-03 / CHEB/ 4.508e-02 6.412e-02 2.808e-02 3.635e-03 / CHEB/ 2.239e-02 2.142e-02 1.267e-02 3.696e-03 /

3765.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-6.1	-2.9	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-16.0	-6.5	-3.1	-1.3

H298 (kcal/mol) = -3.13
S298 (cal/mol*K) = 3.09
G298 (kcal/mol) = -4.05

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(779); H(25), C7H11(779); C7H10(1)+H(25)(+M)=>C7H11(779)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.985e+00 -1.157e+00 -5.695e-01 -1.608e-01 / CHEB/ 1.335e+01 8.162e-01 3.502e-01 6.221e-02 / CHEB/ 1.944e-01 7.205e-02 6.138e-02 3.373e-02 / CHEB/ 6.348e-02 6.318e-02 3.047e-02 8.662e-03 / CHEB/ 4.508e-02 6.412e-02 2.808e-02 3.635e-03 / CHEB/ 2.239e-02 2.142e-02 1.267e-02 3.696e-03 /

3766.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.7	-7.1	-3.2	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-19.1	-7.4	-3.4	-1.2

Chebyshev(coeffs=[[-12.1774,-0.749556,-0.412164,-0.150174],[16.8007,0.477258,0.242534,0.0737882],[0.000862813,0.0492932,0.03513,0.0196381],[0.0364005,0.0650177,0.0312033,0.006768],[0.0429717,0.0532866,0.0278287,0.00704018],[0.0231413,0.0129578,0.00960105,0.0048154]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.20
S298 (cal/mol*K) = 37.04
G298 (kcal/mol) = -3.83

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H7(780); H(25), C2H4(115); C7H10(1)+H(25)(+M)=>C2H4(115)+C5H7(780)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.218e+01 -7.496e-01 -4.122e-01 -1.502e-01 / CHEB/ 1.680e+01 4.773e-01 2.425e-01 7.379e-02 / CHEB/ 8.628e-04 4.929e-02 3.513e-02 1.964e-02 / CHEB/ 3.640e-02 6.502e-02 3.120e-02 6.768e-03 / CHEB/ 4.297e-02 5.329e-02 2.783e-02 7.040e-03 / CHEB/ 2.314e-02 1.296e-02 9.601e-03 4.815e-03 /

3767.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-46.7	-21.4	-12.7	-8.2
log₁₀(k(10 bar)/[mole,m,s])	-46.8	-21.4	-12.7	-8.2

Chebyshev(coeffs=[[-38.4943,-0.113674,-0.0750629,-0.0380771],[35.8734,0.04962,0.0324988,0.0162226],[0.254342,8.39308e-05,-0.00115951,-0.00166926],[0.0981478,0.0131777,0.00843551,0.00403668],[0.0419646,0.0109808,0.00790799,0.00458841],[0.0140174,0.00425156,0.00316234,0.00191278]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 111.43
S298 (cal/mol*K) = 22.86
G298 (kcal/mol) = 104.62

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(781); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(781)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.849e+01 -1.137e-01 -7.506e-02 -3.808e-02 / CHEB/ 3.587e+01 4.962e-02 3.250e-02 1.622e-02 / CHEB/ 2.543e-01 8.393e-05 -1.160e-03 -1.669e-03 / CHEB/ 9.815e-02 1.318e-02 8.436e-03 4.037e-03 / CHEB/ 4.196e-02 1.098e-02 7.908e-03 4.588e-03 / CHEB/ 1.402e-02 4.252e-03 3.162e-03 1.913e-03 /

3805.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.8	+2.8	+4.1	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+1.8	+3.4	+3.9

Chebyshev(coeffs=[[3.66656,-2.12501,-0.245995,0.0286321],[6.64496,0.980794,-0.235696,-0.0854664],[0.144025,0.423678,0.0809376,-0.0365351],[-0.273948,0.0722951,0.077456,0.0143492],[-0.139735,0.00046448,0.0277128,0.0118154],[-0.0391494,-0.000304377,0.00598094,0.000288285]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.35
S298 (cal/mol*K) = 30.00
G298 (kcal/mol) = 5.41

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H7(782); H(25), CH3(425); C7H9(5)+H(25)(+M)=>CH3(425)+C6H7(782)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.667e+00 -2.125e+00 -2.460e-01 2.863e-02 / CHEB/ 6.645e+00 9.808e-01 -2.357e-01 -8.547e-02 / CHEB/ 1.440e-01 4.237e-01 8.094e-02 -3.654e-02 / CHEB/ -2.739e-01 7.230e-02 7.746e-02 1.435e-02 / CHEB/ -1.397e-01 4.645e-04 2.771e-02 1.182e-02 / CHEB/ -3.915e-02 -3.044e-04 5.981e-03 2.883e-04 /

3806.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.2	-2.8	-0.1	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-14.4	-3.4	-0.5	+0.5

Chebyshev(coeffs=[[-7.03356,-1.60066,-0.455743,-0.00980785],[14.4124,1.08646,0.115797,-0.102465],[-0.328013,0.212491,0.118849,0.0145732],[-0.298951,-0.0321076,0.0369686,0.0262912],[-0.141743,-0.00646264,0.0053967,0.00905951],[-0.0589,0.0133727,0.00166406,0.000183156]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.12
S298 (cal/mol*K) = 35.67
G298 (kcal/mol) = 36.49

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H5(783); H(25), C2H5(421); C7H9(5)+H(25)(+M)=>C2H5(421)+C5H5(783)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.034e+00 -1.601e+00 -4.557e-01 -9.808e-03 / CHEB/ 1.441e+01 1.086e+00 1.158e-01 -1.025e-01 / CHEB/ -3.280e-01 2.125e-01 1.188e-01 1.457e-02 / CHEB/ -2.990e-01 -3.211e-02 3.697e-02 2.629e-02 / CHEB/ -1.417e-01 -6.463e-03 5.397e-03 9.060e-03 / CHEB/ -5.890e-02 1.337e-02 1.664e-03 1.832e-04 /

3807.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.6	-7.1	-3.6	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-20.7	-7.6	-3.8	-2.3

Chebyshev(coeffs=[[-13.1935,-1.39982,-0.477547,-0.031857],[17.4609,0.989452,0.191519,-0.081851],[-0.178698,0.170728,0.107549,0.0245233],[-0.246943,-0.039661,0.0218279,0.0255718],[-0.123893,-0.00198032,0.00184827,0.00579077],[-0.054011,0.0155012,0.00267402,-0.000857017]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 55.80
S298 (cal/mol*K) = 22.02
G298 (kcal/mol) = 49.24

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(784); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(784)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.319e+01 -1.400e+00 -4.775e-01 -3.186e-02 / CHEB/ 1.746e+01 9.895e-01 1.915e-01 -8.185e-02 / CHEB/ -1.787e-01 1.707e-01 1.075e-01 2.452e-02 / CHEB/ -2.469e-01 -3.966e-02 2.183e-02 2.557e-02 / CHEB/ -1.239e-01 -1.980e-03 1.848e-03 5.791e-03 / CHEB/ -5.401e-02 1.550e-02 2.674e-03 -8.570e-04 /

3808.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-1.0	+1.4	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-1.7	+1.0	+2.0

Chebyshev(coeffs=[[-4.16767,-1.78151,-0.41566,0.00289724],[12.8024,1.14827,0.0276906,-0.106773],[-0.178438,0.259608,0.122046,0.00255048],[-0.26773,-0.0191232,0.0516254,0.0234414],[-0.13174,-0.0100093,0.0108199,0.0112501],[-0.0523976,0.00994158,0.00157105,0.00171653]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.71
S298 (cal/mol*K) = 36.38
G298 (kcal/mol) = 28.87

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H7(571); H(25), C3H3(785); C7H9(5)+H(25)(+M)=>C4H7(571)+C3H3(785)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.168e+00 -1.782e+00 -4.157e-01 2.897e-03 / CHEB/ 1.280e+01 1.148e+00 2.769e-02 -1.068e-01 / CHEB/ -1.784e-01 2.596e-01 1.220e-01 2.550e-03 / CHEB/ -2.677e-01 -1.912e-02 5.163e-02 2.344e-02 / CHEB/ -1.317e-01 -1.001e-02 1.082e-02 1.125e-02 / CHEB/ -5.240e-02 9.942e-03 1.571e-03 1.717e-03 /

3809.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-1.6	+0.8	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-2.4	+0.3	+1.3

Chebyshev(coeffs=[[-4.01175,-1.91161,-0.374243,0.00863092],[11.7616,1.16062,-0.0477296,-0.102273],[0.023584,0.304976,0.117382,-0.00702552],[-0.225071,-0.0023272,0.0621567,0.0193516],[-0.118208,-0.01157,0.0163754,0.0115949],[-0.0439322,0.00639517,0.00235063,0.00277382]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.51
S298 (cal/mol*K) = 22.90
G298 (kcal/mol) = 27.68

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(786); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(786)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.012e+00 -1.912e+00 -3.742e-01 8.631e-03 / CHEB/ 1.176e+01 1.161e+00 -4.773e-02 -1.023e-01 / CHEB/ 2.358e-02 3.050e-01 1.174e-01 -7.026e-03 / CHEB/ -2.251e-01 -2.327e-03 6.216e-02 1.935e-02 / CHEB/ -1.182e-01 -1.157e-02 1.638e-02 1.159e-02 / CHEB/ -4.393e-02 6.395e-03 2.351e-03 2.774e-03 /

3810.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.2	-3.2	-0.7	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-3.9	-1.2	-0.1

Chebyshev(coeffs=[[-5.78178,-1.8845,-0.379596,0.00729846],[12.0392,1.17224,-0.0333564,-0.103335],[0.0371431,0.297789,0.121429,-0.00506605],[-0.220591,-0.00763344,0.0609881,0.0206606],[-0.128885,-0.0123065,0.0148605,0.0118813],[-0.0466693,0.00709453,0.00201392,0.00260605]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.36
S298 (cal/mol*K) = 16.96
G298 (kcal/mol) = 30.30

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(787); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(787)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.782e+00 -1.885e+00 -3.796e-01 7.298e-03 / CHEB/ 1.204e+01 1.172e+00 -3.336e-02 -1.033e-01 / CHEB/ 3.714e-02 2.978e-01 1.214e-01 -5.066e-03 / CHEB/ -2.206e-01 -7.633e-03 6.099e-02 2.066e-02 / CHEB/ -1.289e-01 -1.231e-02 1.486e-02 1.188e-02 / CHEB/ -4.667e-02 7.095e-03 2.014e-03 2.606e-03 /

3811.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+3.0	+4.2	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+2.0	+3.5	+3.9

Chebyshev(coeffs=[[4.48459,-2.15274,-0.208927,0.0202034],[5.76404,0.898068,-0.279394,-0.0573255],[0.265519,0.445531,0.0648712,-0.0535186],[-0.263433,0.0923384,0.0816589,0.011702],[-0.136883,0.00904791,0.0286401,0.015417],[-0.0364229,0.0009729,0.00565823,0.000174834]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.90
S298 (cal/mol*K) = 5.30
G298 (kcal/mol) = 1.33

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(788); H(25), C7H10(788); C7H9(5)+H(25)(+M)=>C7H10(788)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.485e+00 -2.153e+00 -2.089e-01 2.020e-02 / CHEB/ 5.764e+00 8.981e-01 -2.794e-01 -5.733e-02 / CHEB/ 2.655e-01 4.455e-01 6.487e-02 -5.352e-02 / CHEB/ -2.634e-01 9.234e-02 8.166e-02 1.170e-02 / CHEB/ -1.369e-01 9.048e-03 2.864e-02 1.542e-02 / CHEB/ -3.642e-02 9.729e-04 5.658e-03 1.748e-04 /

3812.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.2	-4.2	-1.4	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-15.5	-4.8	-1.7	-0.6

Chebyshev(coeffs=[[-7.82241,-1.76,-0.421435,0.00178079],[13.7101,1.14292,0.039129,-0.107019],[-0.0418819,0.253267,0.122143,0.0040931],[-0.225533,-0.0211346,0.0498639,0.0239666],[-0.117712,-0.00964334,0.0100498,0.0110665],[-0.0479269,0.0104338,0.001522,0.00151929]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.72
S298 (cal/mol*K) = 3.80
G298 (kcal/mol) = 24.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(789); H(25), C7H10(789); C7H9(5)+H(25)(+M)=>C7H10(789)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.822e+00 -1.760e+00 -4.214e-01 1.781e-03 / CHEB/ 1.371e+01 1.143e+00 3.913e-02 -1.070e-01 / CHEB/ -4.188e-02 2.533e-01 1.221e-01 4.093e-03 / CHEB/ -2.255e-01 -2.113e-02 4.986e-02 2.397e-02 / CHEB/ -1.177e-01 -9.643e-03 1.005e-02 1.107e-02 / CHEB/ -4.793e-02 1.043e-02 1.522e-03 1.519e-03 /

3813.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	+0.3	+2.7	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-9.0	-0.6	+2.1	+3.4

Chebyshev(coeffs=[[-1.14171,-1.73254,-0.232627,0.0132904],[10.6341,0.889161,-0.0529987,-0.0178718],[0.276097,0.241134,0.0773374,-0.015234],[-0.213515,0.0957517,0.0300633,-0.00932294],[-0.0817921,0.0880129,0.00753006,-0.00294292],[-0.0186015,0.0508785,0.00788915,-0.000313087]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.72
S298 (cal/mol*K) = 7.19
G298 (kcal/mol) = 16.58

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(790); H(25), C7H10(790); C7H9(5)+H(25)(+M)=>C7H10(790)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.142e+00 -1.733e+00 -2.326e-01 1.329e-02 / CHEB/ 1.063e+01 8.892e-01 -5.300e-02 -1.787e-02 / CHEB/ 2.761e-01 2.411e-01 7.734e-02 -1.523e-02 / CHEB/ -2.135e-01 9.575e-02 3.006e-02 -9.323e-03 / CHEB/ -8.179e-02 8.801e-02 7.530e-03 -2.943e-03 / CHEB/ -1.860e-02 5.088e-02 7.889e-03 -3.131e-04 /

3814.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	-3.1	-1.4	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-4.1	-2.0	-1.3

Chebyshev(coeffs=[[-3.21891,-2.097,-0.274683,0.0279156],[8.19875,1.03497,-0.198164,-0.0957971],[0.235568,0.404906,0.0893929,-0.0266728],[-0.226552,0.0558094,0.0752624,0.0146732],[-0.122792,-0.00461185,0.0266487,0.0104175],[-0.0353171,-8.38905e-05,0.00553366,0.00112827]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.32
S298 (cal/mol*K) = -2.10
G298 (kcal/mol) = 9.95

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(664); H(25), C7H10(664); C7H9(5)+H(25)(+M)=>C7H10(664)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.219e+00 -2.097e+00 -2.747e-01 2.792e-02 / CHEB/ 8.199e+00 1.035e+00 -1.982e-01 -9.580e-02 / CHEB/ 2.356e-01 4.049e-01 8.939e-02 -2.667e-02 / CHEB/ -2.266e-01 5.581e-02 7.526e-02 1.467e-02 / CHEB/ -1.228e-01 -4.612e-03 2.665e-02 1.042e-02 / CHEB/ -3.532e-02 -8.389e-05 5.534e-03 1.128e-03 /

3815.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-1.2	+0.2	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-8.5	-2.2	-0.5	+0.1

Chebyshev(coeffs=[[-0.451082,-2.1295,-0.240638,0.0280996],[6.8518,0.970173,-0.242426,-0.0825112],[0.234947,0.426841,0.0791942,-0.0387086],[-0.250919,0.0752201,0.0779242,0.0141902],[-0.132281,0.00153997,0.0278458,0.0122068],[-0.0362025,-0.000241544,0.00601062,0.000183138]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.15
S298 (cal/mol*K) = 2.72
G298 (kcal/mol) = 4.34

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(791); H(25), C7H10(791); C7H9(5)+H(25)(+M)=>C7H10(791)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.511e-01 -2.130e+00 -2.406e-01 2.810e-02 / CHEB/ 6.852e+00 9.702e-01 -2.424e-01 -8.251e-02 / CHEB/ 2.349e-01 4.268e-01 7.919e-02 -3.871e-02 / CHEB/ -2.509e-01 7.522e-02 7.792e-02 1.419e-02 / CHEB/ -1.323e-01 1.540e-03 2.785e-02 1.221e-02 / CHEB/ -3.620e-02 -2.415e-04 6.011e-03 1.831e-04 /

3816.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.7	-2.9	-1.2	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-3.9	-1.8	-1.1

Chebyshev(coeffs=[[-3.23585,-2.0802,-0.288729,0.0256793],[8.46532,1.06045,-0.178968,-0.0979476],[0.163045,0.393961,0.0935176,-0.0229416],[-0.237686,0.047205,0.0741853,0.0147435],[-0.125751,-0.00667344,0.0258172,0.010158],[-0.0376373,0.000352803,0.00517358,0.001624]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.52
S298 (cal/mol*K) = -1.00
G298 (kcal/mol) = 18.82

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(662); H(25), C7H10(662); C7H9(5)+H(25)(+M)=>C7H10(662)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.236e+00 -2.080e+00 -2.887e-01 2.568e-02 / CHEB/ 8.465e+00 1.060e+00 -1.790e-01 -9.795e-02 / CHEB/ 1.630e-01 3.940e-01 9.352e-02 -2.294e-02 / CHEB/ -2.377e-01 4.721e-02 7.419e-02 1.474e-02 / CHEB/ -1.258e-01 -6.673e-03 2.582e-02 1.016e-02 / CHEB/ -3.764e-02 3.528e-04 5.174e-03 1.624e-03 /

3817.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	-0.2	+0.8	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-1.4	-0.0	+0.4

Chebyshev(coeffs=[[2.05274,-2.18066,-0.173835,-0.0018467],[4.56228,0.753719,-0.303144,-0.00441584],[0.379543,0.468546,0.0193732,-0.0721484],[-0.241651,0.120681,0.0876325,-0.00143342],[-0.129747,0.0240161,0.0334829,0.0213044],[-0.0336829,0.00635701,0.00319133,0.0036443]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.23
S298 (cal/mol*K) = -3.64
G298 (kcal/mol) = -5.14

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(792); H(25), C7H10(792); C7H9(5)+H(25)(+M)=>C7H10(792)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.053e+00 -2.181e+00 -1.738e-01 -1.847e-03 / CHEB/ 4.562e+00 7.537e-01 -3.031e-01 -4.416e-03 / CHEB/ 3.795e-01 4.685e-01 1.937e-02 -7.215e-02 / CHEB/ -2.417e-01 1.207e-01 8.763e-02 -1.433e-03 / CHEB/ -1.297e-01 2.402e-02 3.348e-02 2.130e-02 / CHEB/ -3.368e-02 6.357e-03 3.191e-03 3.644e-03 /

3818.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.7	-5.8	-2.6	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-18.8	-6.3	-2.9	-1.6

Chebyshev(coeffs=[[-11.4558,-1.41968,-0.476497,-0.0294225],[16.6435,0.999883,0.185143,-0.0844875],[-0.307688,0.174567,0.108925,0.0237154],[-0.28551,-0.0391427,0.0232461,0.025805],[-0.136771,-0.00242398,0.00209266,0.00612238],[-0.0584736,0.0153647,0.00254937,-0.000793409]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.10
S298 (cal/mol*K) = 28.19
G298 (kcal/mol) = 45.70

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(712); H(25), CH2(137); C7H9(5)+H(25)(+M)=>CH2(137)+C6H8(712)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.146e+01 -1.420e+00 -4.765e-01 -2.942e-02 / CHEB/ 1.664e+01 9.999e-01 1.851e-01 -8.449e-02 / CHEB/ -3.077e-01 1.746e-01 1.089e-01 2.372e-02 / CHEB/ -2.855e-01 -3.914e-02 2.325e-02 2.580e-02 / CHEB/ -1.368e-01 -2.424e-03 2.093e-03 6.122e-03 / CHEB/ -5.847e-02 1.536e-02 2.549e-03 -7.934e-04 /

3819.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	+0.9	+1.9	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-4.9	-0.3	+1.1	+1.5

Chebyshev(coeffs=[[3.23716,-2.18101,-0.173587,-0.00207622],[4.52125,0.75206,-0.303124,-0.00387904],[0.37383,0.46863,0.0187521,-0.0722385],[-0.243138,0.121039,0.0876297,-0.00164801],[-0.130258,0.0241989,0.0335829,0.0213492],[-0.0338675,0.0064386,0.00316467,0.00370804]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.24
S298 (cal/mol*K) = 8.73
G298 (kcal/mol) = -3.84

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(793); H(25), C7H10(793); C7H9(5)+H(25)(+M)=>C7H10(793)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.237e+00 -2.181e+00 -1.736e-01 -2.076e-03 / CHEB/ 4.521e+00 7.521e-01 -3.031e-01 -3.879e-03 / CHEB/ 3.738e-01 4.686e-01 1.875e-02 -7.224e-02 / CHEB/ -2.431e-01 1.210e-01 8.763e-02 -1.648e-03 / CHEB/ -1.303e-01 2.420e-02 3.358e-02 2.135e-02 / CHEB/ -3.387e-02 6.439e-03 3.165e-03 3.708e-03 /

3820.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+1.0	+2.1	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-5.3	-0.2	+1.4	+1.8

Chebyshev(coeffs=[[2.88544,-2.1646,-0.181492,0.00399339],[5.1046,0.809801,-0.300045,-0.020378],[0.399619,0.470193,0.0382046,-0.0687396],[-0.25449,0.11194,0.0883868,0.00448649],[-0.140386,0.0185806,0.0314629,0.0199629],[-0.0447237,0.00382195,0.00398592,0.00203838]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.24
S298 (cal/mol*K) = -6.64
G298 (kcal/mol) = -48.26

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(794); H(25), C7H10(794); C7H9(5)+H(25)(+M)=>C7H10(794)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.885e+00 -2.165e+00 -1.815e-01 3.993e-03 / CHEB/ 5.105e+00 8.098e-01 -3.000e-01 -2.038e-02 / CHEB/ 3.996e-01 4.702e-01 3.820e-02 -6.874e-02 / CHEB/ -2.545e-01 1.119e-01 8.839e-02 4.486e-03 / CHEB/ -1.404e-01 1.858e-02 3.146e-02 1.996e-02 / CHEB/ -4.472e-02 3.822e-03 3.986e-03 2.038e-03 /

3821.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	+2.5	+4.8	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-7.4	+1.7	+4.3	+5.3

Chebyshev(coeffs=[[0.576297,-1.95806,-0.347589,0.0113829],[11.0012,1.16612,-0.083913,-0.100538],[0.142649,0.333481,0.116965,-0.0106162],[-0.206579,0.00517703,0.0675133,0.0182973],[-0.113074,-0.0143423,0.0184846,0.0116139],[-0.0383204,0.0037468,0.00231534,0.00294851]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.81
S298 (cal/mol*K) = 18.76
G298 (kcal/mol) = 20.22

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(795); H(25), C7H10(795); C7H9(5)+H(25)(+M)=>C7H10(795)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.763e-01 -1.958e+00 -3.476e-01 1.138e-02 / CHEB/ 1.100e+01 1.166e+00 -8.391e-02 -1.005e-01 / CHEB/ 1.426e-01 3.335e-01 1.170e-01 -1.062e-02 / CHEB/ -2.066e-01 5.177e-03 6.751e-02 1.830e-02 / CHEB/ -1.131e-01 -1.434e-02 1.848e-02 1.161e-02 / CHEB/ -3.832e-02 3.747e-03 2.315e-03 2.949e-03 /

3822.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	+0.6	+2.9	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-0.2	+2.4	+3.4

Chebyshev(coeffs=[[-1.29463,-1.96969,-0.351104,0.0120354],[10.9973,1.14844,-0.0860666,-0.0999893],[0.0916094,0.330825,0.11217,-0.0113549],[-0.217029,0.00932574,0.066633,0.0172848],[-0.116127,-0.0115205,0.0194216,0.0111902],[-0.0408519,0.00443168,0.00305535,0.00296002]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.81
S298 (cal/mol*K) = 18.76
G298 (kcal/mol) = 20.22

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(796); H(25), C7H10(796); C7H9(5)+H(25)(+M)=>C7H10(796)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.295e+00 -1.970e+00 -3.511e-01 1.204e-02 / CHEB/ 1.100e+01 1.148e+00 -8.607e-02 -9.999e-02 / CHEB/ 9.161e-02 3.308e-01 1.122e-01 -1.135e-02 / CHEB/ -2.170e-01 9.326e-03 6.663e-02 1.728e-02 / CHEB/ -1.161e-01 -1.152e-02 1.942e-02 1.119e-02 / CHEB/ -4.085e-02 4.432e-03 3.055e-03 2.960e-03 /

3823.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.6	-3.3	-1.5	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-4.2	-2.0	-1.4

Chebyshev(coeffs=[[-4.23059,-2.02497,-0.324395,0.0174758],[9.36972,1.11854,-0.127561,-0.0990175],[0.00696142,0.360062,0.104516,-0.0158772],[-0.258427,0.0248358,0.0706041,0.0155996],[-0.130842,-0.0103592,0.0226248,0.0105144],[-0.0431444,0.00234965,0.0039968,0.00268372]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.60
S298 (cal/mol*K) = -3.16
G298 (kcal/mol) = 13.54

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(797); H(25), C7H10(797); C7H9(5)+H(25)(+M)=>C7H10(797)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.231e+00 -2.025e+00 -3.244e-01 1.748e-02 / CHEB/ 9.370e+00 1.119e+00 -1.276e-01 -9.902e-02 / CHEB/ 6.961e-03 3.601e-01 1.045e-01 -1.588e-02 / CHEB/ -2.584e-01 2.484e-02 7.060e-02 1.560e-02 / CHEB/ -1.308e-01 -1.036e-02 2.262e-02 1.051e-02 / CHEB/ -4.314e-02 2.350e-03 3.997e-03 2.684e-03 /

3824.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.8	+4.4	+4.8	+4.6
log₁₀(k(10 bar)/[mole,m,s])	+0.5	+3.1	+3.8	+3.9

Chebyshev(coeffs=[[8.19703,-2.26073,-0.146944,-0.0219579],[2.33018,0.519023,-0.276083,0.0509658],[0.0865671,0.427096,-0.0592748,-0.0618188],[-0.236857,0.166194,0.058713,-0.0326521],[-0.118891,0.0589181,0.0462426,0.0146117],[-0.0308456,0.0234601,0.00729362,0.0121968]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.73
S298 (cal/mol*K) = -19.10
G298 (kcal/mol) = -51.04

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(798); H(25), C7H10(798); C7H9(5)+H(25)(+M)=>C7H10(798)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.197e+00 -2.261e+00 -1.469e-01 -2.196e-02 / CHEB/ 2.330e+00 5.190e-01 -2.761e-01 5.097e-02 / CHEB/ 8.657e-02 4.271e-01 -5.927e-02 -6.182e-02 / CHEB/ -2.369e-01 1.662e-01 5.871e-02 -3.265e-02 / CHEB/ -1.189e-01 5.892e-02 4.624e-02 1.461e-02 / CHEB/ -3.085e-02 2.346e-02 7.294e-03 1.220e-02 /

3885.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-3.4	-0.8	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-11.4	-3.9	-1.0	+0.4

Chebyshev(coeffs=[[-3.02551,-1.32506,-0.0092195,0.0292934],[8.48446,0.880104,-0.24148,-0.0908227],[0.947387,0.289064,0.0515089,-0.0133024],[0.0163018,0.0203562,0.0572597,0.0112703],[-0.0539239,-0.0393497,0.0276994,0.00597779],[-0.0202962,-0.0332804,0.00391377,0.00322381]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.22
S298 (cal/mol*K) = -3.41
G298 (kcal/mol) = 14.24

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(799); H(25), C7H10(799); C7H9(5)+H(25)(+M)=>C7H10(799)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.026e+00 -1.325e+00 -9.220e-03 2.929e-02 / CHEB/ 8.484e+00 8.801e-01 -2.415e-01 -9.082e-02 / CHEB/ 9.474e-01 2.891e-01 5.151e-02 -1.330e-02 / CHEB/ 1.630e-02 2.036e-02 5.726e-02 1.127e-02 / CHEB/ -5.392e-02 -3.935e-02 2.770e-02 5.978e-03 / CHEB/ -2.030e-02 -3.328e-02 3.914e-03 3.224e-03 /

3886.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.3	-2.5	+0.8	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-2.9	+0.6	+2.3

Chebyshev(coeffs=[[-2.35988,-1.326,-0.00999623,0.0285971],[9.16925,0.89996,-0.244801,-0.0938635],[1.40457,0.295739,0.0575921,-0.0153175],[0.162898,0.016795,0.0631256,0.012779],[-0.0452229,-0.0514558,0.0256761,0.00818304],[-0.0341902,-0.043341,-0.00148946,0.00430582]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.56
S298 (cal/mol*K) = 0.98
G298 (kcal/mol) = 12.27

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(800); H(25), C7H10(800); C7H9(5)+H(25)(+M)=>C7H10(800)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.360e+00 -1.326e+00 -9.996e-03 2.860e-02 / CHEB/ 9.169e+00 9.000e-01 -2.448e-01 -9.386e-02 / CHEB/ 1.405e+00 2.957e-01 5.759e-02 -1.532e-02 / CHEB/ 1.629e-01 1.680e-02 6.313e-02 1.278e-02 / CHEB/ -4.522e-02 -5.146e-02 2.568e-02 8.183e-03 / CHEB/ -3.419e-02 -4.334e-02 -1.489e-03 4.306e-03 /

3887.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.5	-6.1	+0.3	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-24.9	-6.2	+0.2	+3.3

Chebyshev(coeffs=[[-16.7256,-0.503333,-0.244343,-0.0605303],[25.5462,0.378151,0.148683,0.00580059],[0.560857,0.0867881,0.0540853,0.0213273],[0.0128051,-0.0308024,-0.00302957,0.00978512],[-0.0639174,-0.00546433,-0.00378889,-0.000345456],[-0.0520471,0.00259707,-0.000623241,-0.0016329]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.77
S298 (cal/mol*K) = 41.00
G298 (kcal/mol) = 65.55

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H6(598); H(25), C3H4(73); C7H9(5)+H(25)(+M)=>C3H4(73)+C4H6(598)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.673e+01 -5.033e-01 -2.443e-01 -6.053e-02 / CHEB/ 2.555e+01 3.782e-01 1.487e-01 5.801e-03 / CHEB/ 5.609e-01 8.679e-02 5.409e-02 2.133e-02 / CHEB/ 1.281e-02 -3.080e-02 -3.030e-03 9.785e-03 / CHEB/ -6.392e-02 -5.464e-03 -3.789e-03 -3.455e-04 / CHEB/ -5.205e-02 2.597e-03 -6.232e-04 -1.633e-03 /

3888.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.0	-2.8	+0.3	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-11.9	-3.2	+0.1	+1.7

Chebyshev(coeffs=[[-3.52656,-1.22144,-0.0472251,0.0113013],[10.2793,0.835089,-0.196448,-0.074382],[0.936917,0.280034,0.0677972,-0.00699288],[0.0489421,-0.00366066,0.0576659,0.00712788],[-0.0389841,-0.0509793,0.023699,0.00878766],[-0.0236186,-0.0273429,-0.0018448,0.00631905]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.14
S298 (cal/mol*K) = -5.38
G298 (kcal/mol) = 6.75

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(630); H(25), C7H10(630); C7H9(5)+H(25)(+M)=>C7H10(630)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.527e+00 -1.221e+00 -4.723e-02 1.130e-02 / CHEB/ 1.028e+01 8.351e-01 -1.964e-01 -7.438e-02 / CHEB/ 9.369e-01 2.800e-01 6.780e-02 -6.993e-03 / CHEB/ 4.894e-02 -3.661e-03 5.767e-02 7.128e-03 / CHEB/ -3.898e-02 -5.098e-02 2.370e-02 8.788e-03 / CHEB/ -2.362e-02 -2.734e-02 -1.845e-03 6.319e-03 /

3889.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	-0.1	+2.0	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-0.7	+1.7	+2.8

Chebyshev(coeffs=[[1.77928,-1.51407,0.00613989,0.0258625],[6.11449,1.01212,-0.231579,-0.0610879],[1.01465,0.282803,-0.0117092,-0.0504469],[-0.00514767,0.0363523,0.0710183,0.0182659],[-0.0675911,-0.0154911,0.0286253,0.0120287],[-0.0216966,-0.0306252,0.00521756,-0.0012726]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.05
S298 (cal/mol*K) = -15.40
G298 (kcal/mol) = -22.46

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(801); H(25), C7H10(801); C7H9(5)+H(25)(+M)=>C7H10(801)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.779e+00 -1.514e+00 6.140e-03 2.586e-02 / CHEB/ 6.114e+00 1.012e+00 -2.316e-01 -6.109e-02 / CHEB/ 1.015e+00 2.828e-01 -1.171e-02 -5.045e-02 / CHEB/ -5.148e-03 3.635e-02 7.102e-02 1.827e-02 / CHEB/ -6.759e-02 -1.549e-02 2.863e-02 1.203e-02 / CHEB/ -2.170e-02 -3.063e-02 5.218e-03 -1.273e-03 /

3890.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.6	-11.2	-3.9	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-33.8	-11.3	-4.0	-0.6

Chebyshev(coeffs=[[-25.771,-0.338134,-0.192883,-0.0719135],[31.3271,0.233546,0.119504,0.0313638],[0.0971111,0.066235,0.0403598,0.0172133],[-0.113471,-0.021246,-0.00636169,0.00297076],[-0.0933874,-0.000886971,-0.00115051,-0.000757047],[-0.0536396,0.00215591,0.000457234,-0.000511112]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.05
S298 (cal/mol*K) = 37.66
G298 (kcal/mol) = 79.83

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H6(62); H(25), C2H4(603); C7H9(5)+H(25)(+M)=>C5H6(62)+C2H4(603)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.577e+01 -3.381e-01 -1.929e-01 -7.191e-02 / CHEB/ 3.133e+01 2.335e-01 1.195e-01 3.136e-02 / CHEB/ 9.711e-02 6.623e-02 4.036e-02 1.721e-02 / CHEB/ -1.135e-01 -2.125e-02 -6.362e-03 2.971e-03 / CHEB/ -9.339e-02 -8.870e-04 -1.151e-03 -7.570e-04 / CHEB/ -5.364e-02 2.156e-03 4.572e-04 -5.111e-04 /

3891.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.4	-11.6	-4.0	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-34.7	-11.7	-4.0	-0.4

Chebyshev(coeffs=[[-26.4441,-0.333748,-0.190572,-0.0712299],[31.9268,0.236011,0.121256,0.0323315],[0.274544,0.0644197,0.0397446,0.0173878],[-0.068724,-0.0220862,-0.00693226,0.0027004],[-0.0803786,-0.00104125,-0.0013483,-0.000937333],[-0.0486468,0.00214404,0.000431128,-0.000549606]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.64
S298 (cal/mol*K) = 34.40
G298 (kcal/mol) = 81.39

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(593); H(25), CH2(T)(82); C7H9(5)+H(25)(+M)=>C6H8(593)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.644e+01 -3.337e-01 -1.906e-01 -7.123e-02 / CHEB/ 3.193e+01 2.360e-01 1.213e-01 3.233e-02 / CHEB/ 2.745e-01 6.442e-02 3.974e-02 1.739e-02 / CHEB/ -6.872e-02 -2.209e-02 -6.932e-03 2.700e-03 / CHEB/ -8.038e-02 -1.041e-03 -1.348e-03 -9.373e-04 / CHEB/ -4.865e-02 2.144e-03 4.311e-04 -5.496e-04 /

3892.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-1.4	+1.6	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-1.8	+1.4	+2.9

Chebyshev(coeffs=[[-2.17889,-1.22727,-0.0480592,0.0113178],[10.2406,0.824536,-0.196927,-0.0736402],[0.881229,0.282941,0.0637001,-0.0082261],[0.0396872,0.000480364,0.0565728,0.00643623],[-0.0421641,-0.0489289,0.0244975,0.00840306],[-0.0232506,-0.0277434,-0.000855242,0.0062032]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.04
S298 (cal/mol*K) = -1.28
G298 (kcal/mol) = 18.43

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(802); H(25), C7H10(802); C7H9(5)+H(25)(+M)=>C7H10(802)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.179e+00 -1.227e+00 -4.806e-02 1.132e-02 / CHEB/ 1.024e+01 8.245e-01 -1.969e-01 -7.364e-02 / CHEB/ 8.812e-01 2.829e-01 6.370e-02 -8.226e-03 / CHEB/ 3.969e-02 4.804e-04 5.657e-02 6.436e-03 / CHEB/ -4.216e-02 -4.893e-02 2.450e-02 8.403e-03 / CHEB/ -2.325e-02 -2.774e-02 -8.552e-04 6.203e-03 /

3893.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.6	+2.1	+3.4	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-2.6	+1.4	+3.1	+3.8

Chebyshev(coeffs=[[5.58241,-1.69826,-0.0334342,-0.00357883],[3.57768,1.04343,-0.130829,0.0114786],[0.745697,0.339373,-0.0935587,-0.0844087],[-0.00919569,0.0411547,0.0426619,-0.00285648],[-0.0744597,0.00197064,0.0463562,0.0259611],[-0.0298215,-0.0134055,0.00658534,0.00503985]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -43.26
S298 (cal/mol*K) = -24.86
G298 (kcal/mol) = -35.85

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(493); H(25), C7H10(493); C7H9(5)+H(25)(+M)=>C7H10(493)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.582e+00 -1.698e+00 -3.343e-02 -3.579e-03 / CHEB/ 3.578e+00 1.043e+00 -1.308e-01 1.148e-02 / CHEB/ 7.457e-01 3.394e-01 -9.356e-02 -8.441e-02 / CHEB/ -9.196e-03 4.115e-02 4.266e-02 -2.856e-03 / CHEB/ -7.446e-02 1.971e-03 4.636e-02 2.596e-02 / CHEB/ -2.982e-02 -1.341e-02 6.585e-03 5.040e-03 /

3894.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.3	-3.8	-0.0	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-4.1	-0.2	+1.7

Chebyshev(coeffs=[[-7.01059,-1.04075,-0.149599,-0.00734237],[14.0518,0.756859,-0.0677568,-0.0564823],[0.671619,0.21079,0.0836894,-0.00573147],[0.0510748,-0.0361553,0.0455753,0.0119596],[-0.038408,-0.0428444,0.00707979,0.013468],[-0.0389802,-0.00926602,-0.00836137,0.00444358]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.85
S298 (cal/mol*K) = -2.22
G298 (kcal/mol) = 2.52

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(803); H(25), C7H10(803); C7H9(5)+H(25)(+M)=>C7H10(803)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.011e+00 -1.041e+00 -1.496e-01 -7.342e-03 / CHEB/ 1.405e+01 7.569e-01 -6.776e-02 -5.648e-02 / CHEB/ 6.716e-01 2.108e-01 8.369e-02 -5.731e-03 / CHEB/ 5.107e-02 -3.616e-02 4.558e-02 1.196e-02 / CHEB/ -3.841e-02 -4.284e-02 7.080e-03 1.347e-02 / CHEB/ -3.898e-02 -9.266e-03 -8.361e-03 4.444e-03 /

3895.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+1.0	+2.8	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-4.8	+0.4	+2.5	+3.4

Chebyshev(coeffs=[[3.67084,-1.60129,-0.0122539,0.011544],[4.90356,1.04877,-0.183908,-0.0262731],[0.960824,0.30232,-0.0573634,-0.0718357],[-0.00910865,0.0352441,0.0687844,0.0135671],[-0.0820099,-0.00638748,0.0370177,0.0190115],[-0.0248086,-0.0240416,0.00285073,-3.06872e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.11
S298 (cal/mol*K) = -3.62
G298 (kcal/mol) = -48.03

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(804); H(25), C7H10(804); C7H9(5)+H(25)(+M)=>C7H10(804)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.671e+00 -1.601e+00 -1.225e-02 1.154e-02 / CHEB/ 4.904e+00 1.049e+00 -1.839e-01 -2.627e-02 / CHEB/ 9.608e-01 3.023e-01 -5.736e-02 -7.184e-02 / CHEB/ -9.109e-03 3.524e-02 6.878e-02 1.357e-02 / CHEB/ -8.201e-02 -6.387e-03 3.702e-02 1.901e-02 / CHEB/ -2.481e-02 -2.404e-02 2.851e-03 -3.069e-05 /

3896.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-3.4	-0.8	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-11.4	-3.9	-1.0	+0.4

Chebyshev(coeffs=[[-3.01397,-1.32561,-0.00905211,0.0293566],[8.47659,0.880484,-0.241656,-0.0908553],[0.947753,0.289039,0.051427,-0.0133651],[0.0162221,0.0204442,0.0572723,0.0113031],[-0.0539748,-0.0392855,0.0277035,0.00597698],[-0.0202892,-0.0332966,0.00393456,0.0032037]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.22
S298 (cal/mol*K) = -3.11
G298 (kcal/mol) = 14.15

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(805); H(25), C7H10(805); C7H9(5)+H(25)(+M)=>C7H10(805)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.014e+00 -1.326e+00 -9.052e-03 2.936e-02 / CHEB/ 8.477e+00 8.805e-01 -2.417e-01 -9.086e-02 / CHEB/ 9.478e-01 2.890e-01 5.143e-02 -1.337e-02 / CHEB/ 1.622e-02 2.044e-02 5.727e-02 1.130e-02 / CHEB/ -5.397e-02 -3.929e-02 2.770e-02 5.977e-03 / CHEB/ -2.029e-02 -3.330e-02 3.935e-03 3.204e-03 /

3901.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-0.8	+2.0	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-1.4	+1.7	+3.2

Chebyshev(coeffs=[[-2.20975,-1.51921,-0.616714,-0.100192],[10.893,1.09727,0.331681,-0.0144078],[0.49112,0.162898,0.128684,0.0396937],[0.0677701,0.0762055,0.0370273,0.0154565],[-0.00572612,0.0428352,0.0170144,0.00489247],[-0.0235238,0.00259573,0.00755853,0.00522507]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.76
S298 (cal/mol*K) = 36.02
G298 (kcal/mol) = 14.02

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(80); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(80)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.210e+00 -1.519e+00 -6.167e-01 -1.002e-01 / CHEB/ 1.089e+01 1.097e+00 3.317e-01 -1.441e-02 / CHEB/ 4.911e-01 1.629e-01 1.287e-01 3.969e-02 / CHEB/ 6.777e-02 7.621e-02 3.703e-02 1.546e-02 / CHEB/ -5.726e-03 4.284e-02 1.701e-02 4.892e-03 / CHEB/ -2.352e-02 2.596e-03 7.559e-03 5.225e-03 /

3902.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	+0.2	+2.7	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-0.7	+2.3	+3.8

Chebyshev(coeffs=[[0.2572,-2.31639,-0.435609,-0.0199945],[8.78197,1.76329,0.178772,-0.0465664],[0.741446,0.227034,0.0889978,0.0264893],[0.0492772,0.105775,0.00394269,-0.00959705],[-0.0163901,0.0635355,0.0242064,-0.0116118],[-0.0147108,0.00730047,0.025912,0.00248768]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.52
S298 (cal/mol*K) = 13.00
G298 (kcal/mol) = -16.39

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(567); H(25), C7H11(567); C7H10(1)+H(25)(+M)=>C7H11(567)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.572e-01 -2.316e+00 -4.356e-01 -1.999e-02 / CHEB/ 8.782e+00 1.763e+00 1.788e-01 -4.657e-02 / CHEB/ 7.414e-01 2.270e-01 8.900e-02 2.649e-02 / CHEB/ 4.928e-02 1.058e-01 3.943e-03 -9.597e-03 / CHEB/ -1.639e-02 6.354e-02 2.421e-02 -1.161e-02 / CHEB/ -1.471e-02 7.300e-03 2.591e-02 2.488e-03 /

3903.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-0.2	+2.0	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-7.9	-1.1	+1.5	+2.9

Chebyshev(coeffs=[[0.342305,-2.47233,-0.421758,-0.0123843],[7.91754,1.87246,0.137523,-0.0576784],[0.679591,0.220746,0.106619,0.0309039],[0.0195995,0.107782,-0.00108737,-0.00714522],[-0.030112,0.073794,0.0206996,-0.0151661],[-0.0211285,0.0164063,0.0276088,-0.000199343]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.72
S298 (cal/mol*K) = 11.90
G298 (kcal/mol) = -25.26

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(568); H(25), C7H11(568); C7H10(1)+H(25)(+M)=>C7H11(568)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.423e-01 -2.472e+00 -4.218e-01 -1.238e-02 / CHEB/ 7.918e+00 1.872e+00 1.375e-01 -5.768e-02 / CHEB/ 6.796e-01 2.207e-01 1.066e-01 3.090e-02 / CHEB/ 1.960e-02 1.078e-01 -1.087e-03 -7.145e-03 / CHEB/ -3.011e-02 7.379e-02 2.070e-02 -1.517e-02 / CHEB/ -2.113e-02 1.641e-02 2.761e-02 -1.993e-04 /

3904.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	+0.5	+2.5	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-0.4	+2.0	+3.3

Chebyshev(coeffs=[[1.57252,-2.62424,-0.401477,-0.00561049],[7.12114,1.98001,0.0907774,-0.0663178],[0.629114,0.223257,0.125634,0.0330055],[0.00668014,0.104856,-0.00324789,-0.00319313],[-0.0370778,0.0821502,0.0156965,-0.0178769],[-0.0245951,0.0245665,0.0284562,-0.00300345]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.52
S298 (cal/mol*K) = 13.00
G298 (kcal/mol) = -16.39

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(569); H(25), C7H11(569); C7H10(1)+H(25)(+M)=>C7H11(569)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.573e+00 -2.624e+00 -4.015e-01 -5.610e-03 / CHEB/ 7.121e+00 1.980e+00 9.078e-02 -6.632e-02 / CHEB/ 6.291e-01 2.233e-01 1.256e-01 3.301e-02 / CHEB/ 6.680e-03 1.049e-01 -3.248e-03 -3.193e-03 / CHEB/ -3.708e-02 8.215e-02 1.570e-02 -1.788e-02 / CHEB/ -2.460e-02 2.457e-02 2.846e-02 -3.003e-03 /

3905.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+3.7	+5.1	+5.7
log₁₀(k(10 bar)/[mole,m,s])	-2.4	+2.7	+4.5	+5.5

Chebyshev(coeffs=[[5.71072,-2.92074,-0.36588,0.00651907],[5.50938,2.09774,-0.00117635,-0.0783066],[0.385504,0.265592,0.148563,0.0330736],[-0.0392324,0.0971229,0.00301026,0.00692487],[-0.0577221,0.0946337,0.00369303,-0.0201503],[-0.0353253,0.0456014,0.0254252,-0.00971471]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -41.43
S298 (cal/mol*K) = 9.34
G298 (kcal/mol) = -44.21

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(570); H(25), C7H11(570); C7H10(1)+H(25)(+M)=>C7H11(570)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.711e+00 -2.921e+00 -3.659e-01 6.519e-03 / CHEB/ 5.509e+00 2.098e+00 -1.176e-03 -7.831e-02 / CHEB/ 3.855e-01 2.656e-01 1.486e-01 3.307e-02 / CHEB/ -3.923e-02 9.712e-02 3.010e-03 6.925e-03 / CHEB/ -5.772e-02 9.463e-02 3.693e-03 -2.015e-02 / CHEB/ -3.533e-02 4.560e-02 2.543e-02 -9.715e-03 /

3906.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	+1.0	+3.2	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-7.0	+0.2	+2.8	+4.2

Chebyshev(coeffs=[[0.195015,-1.82498,-0.713726,-0.0887086],[9.77877,1.23322,0.414617,-0.00258406],[0.14243,0.250234,0.107977,0.0213299],[0.0134267,0.139619,0.0469296,0.00221885],[-0.000492676,0.0626746,0.034594,0.00704874],[-0.00530808,5.98365e-05,0.0126104,0.00849551]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.03
S298 (cal/mol*K) = 47.65
G298 (kcal/mol) = 11.83

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(81); H(25), CH3(425); C7H10(1)+H(25)(+M)=>C6H8(81)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.950e-01 -1.825e+00 -7.137e-01 -8.871e-02 / CHEB/ 9.779e+00 1.233e+00 4.146e-01 -2.584e-03 / CHEB/ 1.424e-01 2.502e-01 1.080e-01 2.133e-02 / CHEB/ 1.343e-02 1.396e-01 4.693e-02 2.219e-03 / CHEB/ -4.927e-04 6.267e-02 3.459e-02 7.049e-03 / CHEB/ -5.308e-03 5.984e-05 1.261e-02 8.496e-03 /

3907.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.1	-5.6	-1.0	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-19.9	-5.9	-1.1	+1.3

Chebyshev(coeffs=[[-12.2448,-0.997112,-0.356142,-0.0432623],[19.3064,0.719359,0.209114,-0.0106238],[0.166183,0.167866,0.0554353,0.00348359],[0.0604132,0.0557677,0.0212457,0.00481289],[0.00530076,-0.00132355,0.0162606,0.0101045],[-0.0115778,-0.0182709,0.00504021,0.00740954]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.81
S298 (cal/mol*K) = 54.70
G298 (kcal/mol) = 42.51

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H6(62); H(25), C2H5(421); C7H10(1)+H(25)(+M)=>C5H6(62)+C2H5(421)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.224e+01 -9.971e-01 -3.561e-01 -4.326e-02 / CHEB/ 1.931e+01 7.194e-01 2.091e-01 -1.062e-02 / CHEB/ 1.662e-01 1.679e-01 5.544e-02 3.484e-03 / CHEB/ 6.041e-02 5.577e-02 2.125e-02 4.813e-03 / CHEB/ 5.301e-03 -1.324e-03 1.626e-02 1.010e-02 / CHEB/ -1.158e-02 -1.827e-02 5.040e-03 7.410e-03 /

3908.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.7	-5.0	-1.2	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-16.7	-5.6	-1.5	+0.7

Chebyshev(coeffs=[[-9.23028,-1.23781,-0.605733,-0.163056],[15.381,0.740718,0.352199,0.0846283],[0.363235,0.285633,0.128671,0.0274577],[0.125864,0.157715,0.0629723,0.00572577],[0.0234922,0.00979965,0.010269,0.00533569],[-0.00699412,-0.0414742,-0.0110348,0.00347027]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.08
S298 (cal/mol*K) = 35.43
G298 (kcal/mol) = 33.52

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(63); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(63)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.230e+00 -1.238e+00 -6.057e-01 -1.631e-01 / CHEB/ 1.538e+01 7.407e-01 3.522e-01 8.463e-02 / CHEB/ 3.632e-01 2.856e-01 1.287e-01 2.746e-02 / CHEB/ 1.259e-01 1.577e-01 6.297e-02 5.726e-03 / CHEB/ 2.349e-02 9.800e-03 1.027e-02 5.336e-03 / CHEB/ -6.994e-03 -4.147e-02 -1.103e-02 3.470e-03 /

3909.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.6	-9.7	-4.2	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-26.2	-10.0	-4.3	-1.4

Chebyshev(coeffs=[[-18.3355,-0.841447,-0.332661,-0.0512988],[22.4596,0.612812,0.204034,-0.000772035],[0.348421,0.1336,0.0492412,0.00544439],[0.119245,0.0448923,0.019446,0.0062167],[0.0244889,-0.00218981,0.0134737,0.0104157],[-0.00654114,-0.0145176,0.00319378,0.00611947]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.48
S298 (cal/mol*K) = 41.05
G298 (kcal/mol) = 55.25

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(65); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(65)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.834e+01 -8.414e-01 -3.327e-01 -5.130e-02 / CHEB/ 2.246e+01 6.128e-01 2.040e-01 -7.720e-04 / CHEB/ 3.484e-01 1.336e-01 4.924e-02 5.444e-03 / CHEB/ 1.192e-01 4.489e-02 1.945e-02 6.217e-03 / CHEB/ 2.449e-02 -2.190e-03 1.347e-02 1.042e-02 / CHEB/ -6.541e-03 -1.452e-02 3.194e-03 6.119e-03 /

3910.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.3	-7.5	-1.2	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-25.8	-7.7	-1.3	+1.9

Chebyshev(coeffs=[[-17.8569,-0.662149,-0.294618,-0.0611534],[25.2929,0.490209,0.189998,0.0134579],[0.347841,0.092602,0.0395252,0.00764711],[0.127251,0.0336685,0.0172249,0.00714434],[0.0339301,-0.00130617,0.0103222,0.00955703],[-0.00559572,-0.00978919,0.00144771,0.00428046]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.24
S298 (cal/mol*K) = 57.23
G298 (kcal/mol) = 60.18

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H7(571); H(25), C3H4(73); C7H10(1)+H(25)(+M)=>C3H4(73)+C4H7(571)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.786e+01 -6.621e-01 -2.946e-01 -6.115e-02 / CHEB/ 2.529e+01 4.902e-01 1.900e-01 1.346e-02 / CHEB/ 3.478e-01 9.260e-02 3.953e-02 7.647e-03 / CHEB/ 1.273e-01 3.367e-02 1.722e-02 7.144e-03 / CHEB/ 3.393e-02 -1.306e-03 1.032e-02 9.557e-03 / CHEB/ -5.596e-03 -9.789e-03 1.448e-03 4.280e-03 /

3911.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.0	-9.1	-3.8	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-25.4	-9.3	-4.0	-1.3

Chebyshev(coeffs=[[-17.8641,-0.617764,-0.324805,-0.118292],[22.4012,0.41326,0.179209,0.0422085],[0.159038,0.0528943,0.0496183,0.0318686],[-0.000366967,0.0705219,0.0386735,0.0132934],[-0.0232544,0.0261707,0.0166895,0.00632557],[-0.0202464,-0.00752849,-0.0023659,0.00058427]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 66.82
S298 (cal/mol*K) = 36.34
G298 (kcal/mol) = 55.99

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(71); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(71)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.786e+01 -6.178e-01 -3.248e-01 -1.183e-01 / CHEB/ 2.240e+01 4.133e-01 1.792e-01 4.221e-02 / CHEB/ 1.590e-01 5.289e-02 4.962e-02 3.187e-02 / CHEB/ -3.670e-04 7.052e-02 3.867e-02 1.329e-02 / CHEB/ -2.325e-02 2.617e-02 1.669e-02 6.326e-03 / CHEB/ -2.025e-02 -7.528e-03 -2.366e-03 5.843e-04 /

3912.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-2.4	+0.2	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-3.2	-0.2	+1.4

Chebyshev(coeffs=[[-2.69598,-2.21003,-0.444869,-0.026169],[9.33367,1.66216,0.201463,-0.0369166],[0.719283,0.238267,0.0760405,0.0215856],[0.0537444,0.104412,0.00789358,-0.0101785],[-0.0152796,0.0585823,0.0255604,-0.00949515],[-0.0140254,0.00378121,0.0246756,0.00350337]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.69
S298 (cal/mol*K) = 13.87
G298 (kcal/mol) = -6.82

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(572); H(25), C7H11(572); C7H10(1)+H(25)(+M)=>C7H11(572)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.696e+00 -2.210e+00 -4.449e-01 -2.617e-02 / CHEB/ 9.334e+00 1.662e+00 2.015e-01 -3.692e-02 / CHEB/ 7.193e-01 2.383e-01 7.604e-02 2.159e-02 / CHEB/ 5.374e-02 1.044e-01 7.894e-03 -1.018e-02 / CHEB/ -1.528e-02 5.858e-02 2.556e-02 -9.495e-03 / CHEB/ -1.403e-02 3.781e-03 2.468e-02 3.503e-03 /

3913.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	-1.1	+0.8	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-8.1	-2.1	+0.3	+1.5

Chebyshev(coeffs=[[0.0656997,-2.65227,-0.40154,-0.00461282],[6.92319,1.97679,0.0829197,-0.0674203],[0.57418,0.224132,0.125776,0.033289],[-0.0107435,0.105469,-0.00378727,-0.002486],[-0.0436874,0.0851238,0.0145083,-0.0184489],[-0.028338,0.0281203,0.0283822,-0.0039755]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -48.20
S298 (cal/mol*K) = -0.63
G298 (kcal/mol) = -48.01

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(573); H(25), C7H11(573); C7H10(1)+H(25)(+M)=>C7H11(573)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.570e-02 -2.652e+00 -4.015e-01 -4.613e-03 / CHEB/ 6.923e+00 1.977e+00 8.292e-02 -6.742e-02 / CHEB/ 5.742e-01 2.241e-01 1.258e-01 3.329e-02 / CHEB/ -1.074e-02 1.055e-01 -3.787e-03 -2.486e-03 / CHEB/ -4.369e-02 8.512e-02 1.451e-02 -1.845e-02 / CHEB/ -2.834e-02 2.812e-02 2.838e-02 -3.976e-03 /

3914.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.6	-7.6	-2.6	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-23.2	-8.0	-2.7	-0.1

Chebyshev(coeffs=[[-15.7262,-0.750534,-0.39795,-0.134818],[21.3755,0.389927,0.197199,0.0623492],[0.143723,0.203881,0.100855,0.0260294],[0.071006,0.118605,0.0562828,0.0120464],[0.00241276,0.000238304,0.00534709,0.00536642],[-0.0159201,-0.0327133,-0.0109643,0.00151806]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 65.78
S298 (cal/mol*K) = 47.22
G298 (kcal/mol) = 51.71

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(574); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(574)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.573e+01 -7.505e-01 -3.980e-01 -1.348e-01 / CHEB/ 2.138e+01 3.899e-01 1.972e-01 6.235e-02 / CHEB/ 1.437e-01 2.039e-01 1.009e-01 2.603e-02 / CHEB/ 7.101e-02 1.186e-01 5.628e-02 1.205e-02 / CHEB/ 2.413e-03 2.383e-04 5.347e-03 5.366e-03 / CHEB/ -1.592e-02 -3.271e-02 -1.096e-02 1.518e-03 /

3915.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.4	-13.8	-6.1	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-36.6	-13.9	-6.2	-2.3

Chebyshev(coeffs=[[-28.5592,-0.334724,-0.187216,-0.067839],[32.036,0.233103,0.119953,0.0332182],[0.177817,0.0338552,0.0191437,0.00751316],[0.0454421,0.0270935,0.0159157,0.00679676],[-0.00509773,0.00563564,0.00686266,0.00559174],[-0.0152001,-0.00321823,-8.15446e-05,0.00137407]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.11
S298 (cal/mol*K) = 50.63
G298 (kcal/mol) = 76.02

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(575); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>CH2(T)(82)+C6H9(575)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.856e+01 -3.347e-01 -1.872e-01 -6.784e-02 / CHEB/ 3.204e+01 2.331e-01 1.200e-01 3.322e-02 / CHEB/ 1.778e-01 3.386e-02 1.914e-02 7.513e-03 / CHEB/ 4.544e-02 2.709e-02 1.592e-02 6.797e-03 / CHEB/ -5.098e-03 5.636e-03 6.863e-03 5.592e-03 / CHEB/ -1.520e-02 -3.218e-03 -8.154e-05 1.374e-03 /

3916.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.1	-10.1	-4.0	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-27.7	-10.3	-4.1	-0.8

Chebyshev(coeffs=[[-19.5876,-0.753222,-0.31312,-0.0547689],[24.0221,0.578523,0.205698,0.00603303],[0.552201,0.105424,0.0444794,0.00814863],[0.172242,0.0313125,0.0163903,0.0073329],[0.0377945,-0.00505666,0.0105622,0.0100252],[-0.00424037,-0.0123558,0.0014486,0.0047982]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.28
S298 (cal/mol*K) = 40.79
G298 (kcal/mol) = 59.13

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(90); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(90)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.959e+01 -7.532e-01 -3.131e-01 -5.477e-02 / CHEB/ 2.402e+01 5.785e-01 2.057e-01 6.033e-03 / CHEB/ 5.522e-01 1.054e-01 4.448e-02 8.149e-03 / CHEB/ 1.722e-01 3.131e-02 1.639e-02 7.333e-03 / CHEB/ 3.779e-02 -5.057e-03 1.056e-02 1.003e-02 / CHEB/ -4.240e-03 -1.236e-02 1.449e-03 4.798e-03 /

3917.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-2.2	+0.4	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-3.0	+0.1	+1.6

Chebyshev(coeffs=[[-2.72334,-2.11765,-0.451741,-0.0320886],[9.68715,1.55526,0.214953,-0.027402],[0.621052,0.252392,0.0657108,0.0160705],[0.0389989,0.104708,0.0108939,-0.00994053],[-0.0218741,0.0561279,0.0263197,-0.00813423],[-0.0169071,0.00284337,0.023788,0.00381968]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.16
S298 (cal/mol*K) = 11.64
G298 (kcal/mol) = -5.63

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(576); H(25), C7H11(576); C7H10(1)+H(25)(+M)=>C7H11(576)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.723e+00 -2.118e+00 -4.517e-01 -3.209e-02 / CHEB/ 9.687e+00 1.555e+00 2.150e-01 -2.740e-02 / CHEB/ 6.211e-01 2.524e-01 6.571e-02 1.607e-02 / CHEB/ 3.900e-02 1.047e-01 1.089e-02 -9.941e-03 / CHEB/ -2.187e-02 5.613e-02 2.632e-02 -8.134e-03 / CHEB/ -1.691e-02 2.843e-03 2.379e-02 3.820e-03 /

3918.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.1	-9.3	-2.4	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-29.5	-9.5	-2.5	+1.0

Chebyshev(coeffs=[[-21.4411,-0.520518,-0.254686,-0.067131],[27.9823,0.387038,0.168802,0.0246528],[0.37562,0.0622906,0.0303427,0.00860601],[0.114522,0.0285046,0.0160565,0.00718458],[0.016708,0.00160453,0.00849303,0.00803639],[-0.0103818,-0.00633922,0.000518416,0.00281397]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.24
S298 (cal/mol*K) = 57.23
G298 (kcal/mol) = 60.18

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(577); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(577)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.144e+01 -5.205e-01 -2.547e-01 -6.713e-02 / CHEB/ 2.798e+01 3.870e-01 1.688e-01 2.465e-02 / CHEB/ 3.756e-01 6.229e-02 3.034e-02 8.606e-03 / CHEB/ 1.145e-01 2.850e-02 1.606e-02 7.185e-03 / CHEB/ 1.671e-02 1.605e-03 8.493e-03 8.036e-03 / CHEB/ -1.038e-02 -6.339e-03 5.184e-04 2.814e-03 /

3919.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-3.0	-0.8	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-3.9	-1.2	+0.1

Chebyshev(coeffs=[[-2.38973,-2.4679,-0.426654,-0.0128664],[7.88661,1.84598,0.140234,-0.0570377],[0.628982,0.223624,0.102606,0.0307551],[0.0033494,0.108969,-0.00101739,-0.00735989],[-0.0366293,0.0751813,0.0205532,-0.0153411],[-0.0244531,0.0184316,0.0275574,-0.000652054]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.27
S298 (cal/mol*K) = 8.26
G298 (kcal/mol) = -9.73

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(578); H(25), C7H11(578); C7H10(1)+H(25)(+M)=>C7H11(578)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.390e+00 -2.468e+00 -4.267e-01 -1.287e-02 / CHEB/ 7.887e+00 1.846e+00 1.402e-01 -5.704e-02 / CHEB/ 6.290e-01 2.236e-01 1.026e-01 3.076e-02 / CHEB/ 3.349e-03 1.090e-01 -1.017e-03 -7.360e-03 / CHEB/ -3.663e-02 7.518e-02 2.055e-02 -1.534e-02 / CHEB/ -2.445e-02 1.843e-02 2.756e-02 -6.521e-04 /

3920.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	+0.3	+2.5	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-0.6	+2.1	+3.5

Chebyshev(coeffs=[[0.417787,-2.5804,-0.82248,-0.0578566],[8.39993,1.97884,0.445764,-0.0615723],[0.54291,0.29998,0.198729,0.0485801],[0.0938593,0.13552,0.0552537,0.0112604],[0.00510031,0.0454641,0.0204092,0.00174072],[-0.014906,-0.0182118,0.00297588,0.00394834]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.88
S298 (cal/mol*K) = 32.98
G298 (kcal/mol) = -0.95

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(79); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(79)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.178e-01 -2.580e+00 -8.225e-01 -5.786e-02 / CHEB/ 8.400e+00 1.979e+00 4.458e-01 -6.157e-02 / CHEB/ 5.429e-01 3.000e-01 1.987e-01 4.858e-02 / CHEB/ 9.386e-02 1.355e-01 5.525e-02 1.126e-02 / CHEB/ 5.100e-03 4.546e-02 2.041e-02 1.741e-03 / CHEB/ -1.491e-02 -1.821e-02 2.976e-03 3.948e-03 /

3921.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	+2.3	+4.0	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-4.4	+1.3	+3.6	+4.8

Chebyshev(coeffs=[[3.63529,-2.90629,-0.621806,0.0241902],[6.59587,2.30244,0.221066,-0.111413],[0.471845,0.243604,0.204725,0.0159524],[0.0753217,0.0807762,0.0422866,0.0132824],[0.0143084,0.0657817,0.0133339,-0.00132958],[-0.00654107,0.0185431,0.00992467,0.000422431]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.46
S298 (cal/mol*K) = 41.97
G298 (kcal/mol) = -12.97

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(94); H(25), CH3(425); C7H10(1)+H(25)(+M)=>C6H8(94)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.635e+00 -2.906e+00 -6.218e-01 2.419e-02 / CHEB/ 6.596e+00 2.302e+00 2.211e-01 -1.114e-01 / CHEB/ 4.718e-01 2.436e-01 2.047e-01 1.595e-02 / CHEB/ 7.532e-02 8.078e-02 4.229e-02 1.328e-02 / CHEB/ 1.431e-02 6.578e-02 1.333e-02 -1.330e-03 / CHEB/ -6.541e-03 1.854e-02 9.925e-03 4.224e-04 /

3922.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.1	-13.3	-5.6	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-36.4	-13.5	-5.7	-1.8

Chebyshev(coeffs=[[-28.28,-0.328266,-0.184475,-0.0675578],[32.2354,0.227944,0.118001,0.0332964],[0.177732,0.0329783,0.0187628,0.00744958],[0.0448198,0.0269658,0.0158704,0.00678015],[-0.00529584,0.00570238,0.00678599,0.00549197],[-0.0151467,-0.00314239,-0.000105669,0.00132284]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.95
S298 (cal/mol*K) = 53.67
G298 (kcal/mol) = 75.96

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H5(99); H(25), C3H6(579); C7H10(1)+H(25)(+M)=>C4H5(99)+C3H6(579)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.828e+01 -3.283e-01 -1.845e-01 -6.756e-02 / CHEB/ 3.224e+01 2.279e-01 1.180e-01 3.330e-02 / CHEB/ 1.777e-01 3.298e-02 1.876e-02 7.450e-03 / CHEB/ 4.482e-02 2.697e-02 1.587e-02 6.780e-03 / CHEB/ -5.296e-03 5.702e-03 6.786e-03 5.492e-03 / CHEB/ -1.515e-02 -3.142e-03 -1.057e-04 1.323e-03 /

3941.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-3.2	-0.4	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-3.8	-0.7	+1.1

Chebyshev(coeffs=[[-4.14656,-1.84839,-0.703839,-0.091952],[10.401,1.58191,0.481885,-0.016072],[0.611436,0.0509799,0.0941441,0.0524158],[0.108267,0.000353827,0.00320137,0.00645792],[0.0578862,0.0605541,0.0168279,-0.00400064],[0.035066,0.0343915,0.0179416,0.002991]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.87
S298 (cal/mol*K) = 9.98
G298 (kcal/mol) = 13.90

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(806); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(806)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.147e+00 -1.848e+00 -7.038e-01 -9.195e-02 / CHEB/ 1.040e+01 1.582e+00 4.819e-01 -1.607e-02 / CHEB/ 6.114e-01 5.098e-02 9.414e-02 5.242e-02 / CHEB/ 1.083e-01 3.538e-04 3.201e-03 6.458e-03 / CHEB/ 5.789e-02 6.055e-02 1.683e-02 -4.001e-03 / CHEB/ 3.507e-02 3.439e-02 1.794e-02 2.991e-03 /

3942.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.2	-3.5	-1.0	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-4.0	-1.2	+0.1

Chebyshev(coeffs=[[-6.20328,-1.05371,-0.532796,-0.16355],[12.589,0.648581,0.311979,0.0852147],[-0.223978,0.0952253,0.0491259,0.0181503],[-0.0963067,0.0683281,0.0225361,-0.00271375],[-0.0234661,0.0606221,0.0270223,0.00202667],[-0.00158933,0.0247383,0.0159314,0.00560889]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.11
S298 (cal/mol*K) = 37.91
G298 (kcal/mol) = 26.82

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(807); H(25), CH3(425); C7H10(1)+H(25)(+M)=>CH3(425)+C6H8(807)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.203e+00 -1.054e+00 -5.328e-01 -1.636e-01 / CHEB/ 1.259e+01 6.486e-01 3.120e-01 8.521e-02 / CHEB/ -2.240e-01 9.523e-02 4.913e-02 1.815e-02 / CHEB/ -9.631e-02 6.833e-02 2.254e-02 -2.714e-03 / CHEB/ -2.347e-02 6.062e-02 2.702e-02 2.027e-03 / CHEB/ -1.589e-03 2.474e-02 1.593e-02 5.609e-03 /

3943.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.8	-8.0	-4.5	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-19.3	-8.4	-4.7	-2.9

Chebyshev(coeffs=[[-12.3735,-0.821315,-0.425912,-0.141679],[15.5058,0.465543,0.229783,0.0711595],[-0.0170236,0.0787213,0.037352,0.0115159],[-0.0226395,0.0770323,0.0293047,-0.000355712],[0.00230811,0.0552392,0.0283457,0.00544092],[0.00756434,0.0170276,0.0129204,0.00600658]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.20
S298 (cal/mol*K) = 26.04
G298 (kcal/mol) = 38.44

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(808); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(808)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.237e+01 -8.213e-01 -4.259e-01 -1.417e-01 / CHEB/ 1.551e+01 4.655e-01 2.298e-01 7.116e-02 / CHEB/ -1.702e-02 7.872e-02 3.735e-02 1.152e-02 / CHEB/ -2.264e-02 7.703e-02 2.930e-02 -3.557e-04 / CHEB/ 2.308e-03 5.524e-02 2.835e-02 5.441e-03 / CHEB/ 7.564e-03 1.703e-02 1.292e-02 6.007e-03 /

3944.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.8	-7.7	-3.6	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-20.2	-8.0	-3.8	-1.6

Chebyshev(coeffs=[[-13.0762,-0.709509,-0.366953,-0.119738],[17.2518,0.398217,0.192609,0.054643],[0.110415,0.0687546,0.0305291,0.00781099],[0.0262697,0.0764685,0.0316075,0.00214954],[0.0230275,0.0485439,0.0276299,0.00774462],[0.0144102,0.0112604,0.0104391,0.00596743]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.80
S298 (cal/mol*K) = 25.89
G298 (kcal/mol) = 43.09

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(809); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(809)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.308e+01 -7.095e-01 -3.670e-01 -1.197e-01 / CHEB/ 1.725e+01 3.982e-01 1.926e-01 5.464e-02 / CHEB/ 1.104e-01 6.875e-02 3.053e-02 7.811e-03 / CHEB/ 2.627e-02 7.647e-02 3.161e-02 2.150e-03 / CHEB/ 2.303e-02 4.854e-02 2.763e-02 7.745e-03 / CHEB/ 1.441e-02 1.126e-02 1.044e-02 5.967e-03 /

3945.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.8	-10.1	-5.5	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-24.2	-10.4	-5.7	-3.3

Chebyshev(coeffs=[[-16.9214,-0.602574,-0.308056,-0.0921526],[19.4592,0.331456,0.154002,0.0320695],[0.0945796,0.0584473,0.0221611,0.00217979],[0.0197226,0.0719246,0.0326175,0.00554951],[0.0129632,0.0397709,0.0260438,0.0106229],[0.0102346,0.00644302,0.00807627,0.00563302]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.70
S298 (cal/mol*K) = 23.99
G298 (kcal/mol) = 51.56

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(810); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(810)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.692e+01 -6.026e-01 -3.081e-01 -9.215e-02 / CHEB/ 1.946e+01 3.315e-01 1.540e-01 3.207e-02 / CHEB/ 9.458e-02 5.845e-02 2.216e-02 2.180e-03 / CHEB/ 1.972e-02 7.192e-02 3.262e-02 5.550e-03 / CHEB/ 1.296e-02 3.977e-02 2.604e-02 1.062e-02 / CHEB/ 1.023e-02 6.443e-03 8.076e-03 5.633e-03 /

3946.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.6	-10.8	-6.2	-3.9
log₁₀(k(10 bar)/[mole,m,s])	-25.0	-11.1	-6.4	-3.9

Chebyshev(coeffs=[[-17.6433,-0.603778,-0.308693,-0.092447],[19.5154,0.331991,0.154275,0.0322432],[0.114294,0.058523,0.022255,0.00227461],[0.0253055,0.0720559,0.0326412,0.00551278],[0.0148876,0.0399363,0.0260887,0.0105852],[0.0109477,0.00651917,0.00811301,0.0056373]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.70
S298 (cal/mol*K) = 22.61
G298 (kcal/mol) = 51.97

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(811); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(811)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.764e+01 -6.038e-01 -3.087e-01 -9.245e-02 / CHEB/ 1.952e+01 3.320e-01 1.543e-01 3.224e-02 / CHEB/ 1.143e-01 5.852e-02 2.225e-02 2.275e-03 / CHEB/ 2.531e-02 7.206e-02 3.264e-02 5.513e-03 / CHEB/ 1.489e-02 3.994e-02 2.609e-02 1.059e-02 / CHEB/ 1.095e-02 6.519e-03 8.113e-03 5.637e-03 /

3947.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	-1.9	-0.8	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-8.2	-2.8	-1.4	-0.7

Chebyshev(coeffs=[[-0.439504,-3.07362,-0.660637,-0.00347606],[5.86351,2.45232,0.177886,-0.125335],[0.0721044,0.163559,0.198953,0.0271366],[-0.146106,-0.0528292,0.0398486,0.0243711],[-0.0436965,0.0484435,0.00159234,-0.000181395],[-0.00571069,0.0571443,0.0112478,-0.00253109]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.23
S298 (cal/mol*K) = 0.61
G298 (kcal/mol) = -12.42

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(812); H(25), C7H11(812); C7H10(1)+H(25)(+M)=>C7H11(812)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.395e-01 -3.074e+00 -6.606e-01 -3.476e-03 / CHEB/ 5.864e+00 2.452e+00 1.779e-01 -1.253e-01 / CHEB/ 7.210e-02 1.636e-01 1.990e-01 2.714e-02 / CHEB/ -1.461e-01 -5.283e-02 3.985e-02 2.437e-02 / CHEB/ -4.370e-02 4.844e-02 1.592e-03 -1.814e-04 / CHEB/ -5.711e-03 5.714e-02 1.125e-02 -2.531e-03 /

3948.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	+0.4	+1.5	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-5.8	-0.5	+1.0	+1.7

Chebyshev(coeffs=[[1.95794,-3.11753,-0.64487,-0.00442363],[5.79628,2.50759,0.156944,-0.122211],[0.0818746,0.163373,0.206017,0.0247544],[-0.11851,-0.0567034,0.0417445,0.0247389],[-0.0107094,0.0456634,0.000961776,0.000430696],[0.00459505,0.057071,0.0106834,-0.00243178]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.39
S298 (cal/mol*K) = 4.22
G298 (kcal/mol) = -32.64

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(612); H(25), C7H11(612); C7H10(1)+H(25)(+M)=>C7H11(612)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.958e+00 -3.118e+00 -6.449e-01 -4.424e-03 / CHEB/ 5.796e+00 2.508e+00 1.569e-01 -1.222e-01 / CHEB/ 8.187e-02 1.634e-01 2.060e-01 2.475e-02 / CHEB/ -1.185e-01 -5.670e-02 4.174e-02 2.474e-02 / CHEB/ -1.071e-02 4.566e-02 9.618e-04 4.307e-04 / CHEB/ 4.595e-03 5.707e-02 1.068e-02 -2.432e-03 /

3985.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.5	-4.9	-1.3	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-16.5	-4.9	-1.3	+0.5

Chebyshev(coeffs=[[-9.59585,-0.00866957,-0.00331386,-0.0010431],[16.283,0.00571227,0.00133528,0.000229291],[-0.0871706,0.00110251,0.00100461,0.000389009],[-0.0740493,0.000473024,0.000400077,0.000258257],[-0.0550731,2.84874e-05,-8.51992e-05,-2.43252e-05],[-0.000357336,-8.71627e-05,-0.000184722,-0.000135661]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.33
S298 (cal/mol*K) = 11.11
G298 (kcal/mol) = 46.02

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(813); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(813)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.596e+00 -8.670e-03 -3.314e-03 -1.043e-03 / CHEB/ 1.628e+01 5.712e-03 1.335e-03 2.293e-04 / CHEB/ -8.717e-02 1.103e-03 1.005e-03 3.890e-04 / CHEB/ -7.405e-02 4.730e-04 4.001e-04 2.583e-04 / CHEB/ -5.507e-02 2.849e-05 -8.520e-05 -2.433e-05 / CHEB/ -3.573e-04 -8.716e-05 -1.847e-04 -1.357e-04 /

3986.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	+1.7	+2.4	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+1.5	+2.3	+2.2

Chebyshev(coeffs=[[3.58375,-0.943261,-0.217536,-0.0248743],[5.39365,0.942256,0.134711,-0.0147047],[-0.135399,-0.0246737,0.0942064,0.0264711],[-0.341871,-0.12152,-0.0172536,0.0194606],[-0.14915,-0.0156371,-0.0212653,-0.000754686],[-0.0430686,0.0172269,-0.0026615,-0.00425502]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.17
S298 (cal/mol*K) = -11.08
G298 (kcal/mol) = 12.47

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(814); H(25), C7H10(814); C7H9(5)+H(25)(+M)=>C7H10(814)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.584e+00 -9.433e-01 -2.175e-01 -2.487e-02 / CHEB/ 5.394e+00 9.423e-01 1.347e-01 -1.470e-02 / CHEB/ -1.354e-01 -2.467e-02 9.421e-02 2.647e-02 / CHEB/ -3.419e-01 -1.215e-01 -1.725e-02 1.946e-02 / CHEB/ -1.492e-01 -1.564e-02 -2.127e-02 -7.547e-04 / CHEB/ -4.307e-02 1.723e-02 -2.662e-03 -4.255e-03 /

3987.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-1.1	+0.1	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-6.0	-1.1	+0.1	+0.4

Chebyshev(coeffs=[[0.826067,-0.48639,0.0591891,0.0386975],[5.7764,0.725181,-0.0837997,-0.0622367],[0.21677,-0.292174,0.00236795,0.0265753],[-0.260559,0.0213983,0.0417632,0.000602018],[-0.136541,0.0404081,-0.0240966,-0.00672206],[-0.038473,-0.0120642,-0.00105465,0.00471038]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.78
S298 (cal/mol*K) = -14.48
G298 (kcal/mol) = 6.09

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(815); H(25), C7H10(815); C7H9(5)+H(25)(+M)=>C7H10(815)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.261e-01 -4.864e-01 5.919e-02 3.870e-02 / CHEB/ 5.776e+00 7.252e-01 -8.380e-02 -6.224e-02 / CHEB/ 2.168e-01 -2.922e-01 2.368e-03 2.658e-02 / CHEB/ -2.606e-01 2.140e-02 4.176e-02 6.020e-04 / CHEB/ -1.365e-01 4.041e-02 -2.410e-02 -6.722e-03 / CHEB/ -3.847e-02 -1.206e-02 -1.055e-03 4.710e-03 /

3988.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+3.7	+3.3	+2.6
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+3.7	+3.3	+2.6

Chebyshev(coeffs=[[8.6741,-0.0293664,-0.00743189,-0.00787317],[0.805171,0.00173761,0.00311378,0.00506716],[-0.339038,0.00327468,0.000789744,0.002191],[-0.281603,0.00683615,0.00173824,0.00152601],[-0.178197,0.00266203,0.00134338,1.23922e-05],[-0.100395,-0.00078007,0.000208432,-0.000429123]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.12
S298 (cal/mol*K) = -22.59
G298 (kcal/mol) = -42.39

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(218); H(25), C7H10(218); C7H9(5)+H(25)(+M)=>C7H10(218)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.674e+00 -2.937e-02 -7.432e-03 -7.873e-03 / CHEB/ 8.052e-01 1.738e-03 3.114e-03 5.067e-03 / CHEB/ -3.390e-01 3.275e-03 7.897e-04 2.191e-03 / CHEB/ -2.816e-01 6.836e-03 1.738e-03 1.526e-03 / CHEB/ -1.782e-01 2.662e-03 1.343e-03 1.239e-05 / CHEB/ -1.004e-01 -7.801e-04 2.084e-04 -4.291e-04 /

3989.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.4	-5.0	-2.4	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-5.0	-2.4	-1.2

Chebyshev(coeffs=[[-6.65182,-0.0147788,-0.00364332,-0.00190965],[11.5734,0.00908714,0.000391505,0.00111266],[0.0047427,0.00250702,0.00156925,0.000233717],[-0.0980067,0.00117391,0.00109783,0.000446663],[-0.0538045,-0.000189564,-6.08397e-05,6.43277e-05],[-0.0103582,-0.000487953,-0.0005186,-0.000222219]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.16
S298 (cal/mol*K) = -17.34
G298 (kcal/mol) = -21.99

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(809); H(25), C7H10(809); C7H9(5)+H(25)(+M)=>C7H10(809)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.652e+00 -1.478e-02 -3.643e-03 -1.910e-03 / CHEB/ 1.157e+01 9.087e-03 3.915e-04 1.113e-03 / CHEB/ 4.743e-03 2.507e-03 1.569e-03 2.337e-04 / CHEB/ -9.801e-02 1.174e-03 1.098e-03 4.467e-04 / CHEB/ -5.380e-02 -1.896e-04 -6.084e-05 6.433e-05 / CHEB/ -1.036e-02 -4.880e-04 -5.186e-04 -2.222e-04 /

3990.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.7	+3.8	+4.0	+3.6
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+3.8	+4.0	+3.6

Chebyshev(coeffs=[[8.04361,-0.0261818,-0.00731794,-0.00685277],[2.09434,0.00316694,0.00338316,0.00491426],[-0.00640371,0.00461234,4.90238e-05,0.00184959],[-0.234217,0.00589979,0.00191138,0.000928009],[-0.172245,0.00151779,0.00136891,-6.55182e-05],[-0.0849436,-0.00136743,-4.4701e-05,-0.000269064]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.23
S298 (cal/mol*K) = -11.08
G298 (kcal/mol) = -0.93

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(343); H(25), C7H10(343); C7H9(5)+H(25)(+M)=>C7H10(343)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.044e+00 -2.618e-02 -7.318e-03 -6.853e-03 / CHEB/ 2.094e+00 3.167e-03 3.383e-03 4.914e-03 / CHEB/ -6.404e-03 4.612e-03 4.902e-05 1.850e-03 / CHEB/ -2.342e-01 5.900e-03 1.911e-03 9.280e-04 / CHEB/ -1.722e-01 1.518e-03 1.369e-03 -6.552e-05 / CHEB/ -8.494e-02 -1.367e-03 -4.470e-05 -2.691e-04 /

3991.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	+0.5	+2.1	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-5.5	+0.5	+2.1	+2.6

Chebyshev(coeffs=[[1.01404,-0.0189842,-0.00400544,-0.00333703],[7.99902,0.00817461,-0.000183925,0.00254549],[-0.0813007,0.00415859,0.00135209,0.000289087],[-0.177913,0.00244288,0.00177337,0.000537285],[-0.104703,-0.000108226,0.000334571,0.000145652],[-0.0308754,-0.00105632,-0.000663425,-0.000218967]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.46
S298 (cal/mol*K) = -8.63
G298 (kcal/mol) = -10.88

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(317); H(25), C7H10(317); C7H9(5)+H(25)(+M)=>C7H10(317)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.014e+00 -1.898e-02 -4.005e-03 -3.337e-03 / CHEB/ 7.999e+00 8.175e-03 -1.839e-04 2.545e-03 / CHEB/ -8.130e-02 4.159e-03 1.352e-03 2.891e-04 / CHEB/ -1.779e-01 2.443e-03 1.773e-03 5.373e-04 / CHEB/ -1.047e-01 -1.082e-04 3.346e-04 1.457e-04 / CHEB/ -3.088e-02 -1.056e-03 -6.634e-04 -2.190e-04 /

3992.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.3	+4.6	+3.7	+2.6
log₁₀(k(10 bar)/[mole,m,s])	+4.3	+5.0	+4.3	+3.3

Chebyshev(coeffs=[[9.67749,0.536863,-0.157061,0.00613096],[0.0201307,0.738879,-0.115213,-0.0245711],[-0.668212,0.273189,0.0167135,-0.0298553],[-0.355403,0.0127826,0.0431267,-0.00367312],[-0.159804,-0.0596391,0.018523,0.0104061],[-0.0693851,-0.041166,-0.00352036,0.00817514]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -66.80
S298 (cal/mol*K) = -23.91
G298 (kcal/mol) = -59.67

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(816); H(25), C7H10(816); C7H9(5)+H(25)(+M)=>C7H10(816)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.677e+00 5.369e-01 -1.571e-01 6.131e-03 / CHEB/ 2.013e-02 7.389e-01 -1.152e-01 -2.457e-02 / CHEB/ -6.682e-01 2.732e-01 1.671e-02 -2.986e-02 / CHEB/ -3.554e-01 1.278e-02 4.313e-02 -3.673e-03 / CHEB/ -1.598e-01 -5.964e-02 1.852e-02 1.041e-02 / CHEB/ -6.939e-02 -4.117e-02 -3.520e-03 8.175e-03 /

4008.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.3	+2.7	+3.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-2.6	+1.7	+3.0	+3.5

Chebyshev(coeffs=[[5.25173,-3.20777,-0.742236,-0.00192965],[4.20849,2.61304,0.333187,-0.114936],[0.134624,0.328591,0.180803,0.0108165],[-0.0553322,0.0295499,0.0357807,0.0091751],[-0.0422115,-0.0229678,0.0160306,0.0116866],[-0.0238908,-0.0297912,0.00490352,0.00968728]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.36
S298 (cal/mol*K) = -4.45
G298 (kcal/mol) = -13.03

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(817); H(25), C7H11(817); C7H10(1)+H(25)(+M)=>C7H11(817)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.252e+00 -3.208e+00 -7.422e-01 -1.930e-03 / CHEB/ 4.208e+00 2.613e+00 3.332e-01 -1.149e-01 / CHEB/ 1.346e-01 3.286e-01 1.808e-01 1.082e-02 / CHEB/ -5.533e-02 2.955e-02 3.578e-02 9.175e-03 / CHEB/ -4.221e-02 -2.297e-02 1.603e-02 1.169e-02 / CHEB/ -2.389e-02 -2.979e-02 4.904e-03 9.687e-03 /

4009.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.2	-3.6	+0.7	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-17.6	-3.9	+0.6	+2.7

Chebyshev(coeffs=[[-10.5318,-0.516593,-0.302135,-0.120228],[19.396,0.219673,0.126124,0.0478369],[-0.0878193,0.151887,0.0818872,0.0259993],[-0.033551,0.0755013,0.0396953,0.0118655],[-0.047061,-0.00592452,-0.0010375,0.00184453],[-0.0388495,-0.0212853,-0.0092099,-0.000818151]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.83
S298 (cal/mol*K) = 52.04
G298 (kcal/mol) = 46.32

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H6(818); H(25), C3H5(98); C7H10(1)+H(25)(+M)=>C3H5(98)+C4H6(818)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.053e+01 -5.166e-01 -3.021e-01 -1.202e-01 / CHEB/ 1.940e+01 2.197e-01 1.261e-01 4.784e-02 / CHEB/ -8.782e-02 1.519e-01 8.189e-02 2.600e-02 / CHEB/ -3.355e-02 7.550e-02 3.970e-02 1.187e-02 / CHEB/ -4.706e-02 -5.925e-03 -1.038e-03 1.845e-03 / CHEB/ -3.885e-02 -2.129e-02 -9.210e-03 -8.182e-04 /

4010.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.3	-11.1	-4.9	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-30.5	-11.3	-5.0	-2.0

Chebyshev(coeffs=[[-22.976,-0.303214,-0.186932,-0.0831968],[27.1559,0.10089,0.0604803,0.0253577],[-0.039738,0.101219,0.0594503,0.0236376],[-0.0325673,0.0578466,0.0333421,0.0127077],[-0.0411638,-0.00225009,-0.000274609,0.000843893],[-0.0328086,-0.0164721,-0.00837484,-0.00212152]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 85.90
S298 (cal/mol*K) = 43.40
G298 (kcal/mol) = 72.97

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(165); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.298e+01 -3.032e-01 -1.869e-01 -8.320e-02 / CHEB/ 2.716e+01 1.009e-01 6.048e-02 2.536e-02 / CHEB/ -3.974e-02 1.012e-01 5.945e-02 2.364e-02 / CHEB/ -3.257e-02 5.785e-02 3.334e-02 1.271e-02 / CHEB/ -4.116e-02 -2.250e-03 -2.746e-04 8.439e-04 / CHEB/ -3.281e-02 -1.647e-02 -8.375e-03 -2.122e-03 /

4011.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.2	-9.6	-3.4	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-29.4	-9.7	-3.5	-0.5

Chebyshev(coeffs=[[-21.9468,-0.277175,-0.172092,-0.0776171],[27.8049,0.0908291,0.0545433,0.0228712],[-0.221194,0.0931845,0.0554537,0.0227314],[-0.0880838,0.0539261,0.0315605,0.0124664],[-0.0586555,-0.00215741,-0.000279008,0.000803446],[-0.0382178,-0.0156327,-0.00814453,-0.00225613]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 89.73
S298 (cal/mol*K) = 55.29
G298 (kcal/mol) = 73.25

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(819); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(819)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.195e+01 -2.772e-01 -1.721e-01 -7.762e-02 / CHEB/ 2.780e+01 9.083e-02 5.454e-02 2.287e-02 / CHEB/ -2.212e-01 9.318e-02 5.545e-02 2.273e-02 / CHEB/ -8.808e-02 5.393e-02 3.156e-02 1.247e-02 / CHEB/ -5.866e-02 -2.157e-03 -2.790e-04 8.034e-04 / CHEB/ -3.822e-02 -1.563e-02 -8.145e-03 -2.256e-03 /

4012.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.9	-14.0	-6.8	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-36.1	-14.1	-6.8	-3.3

Chebyshev(coeffs=[[-28.3026,-0.240198,-0.151005,-0.0697374],[31.0957,0.0780363,0.0472803,0.0201291],[-0.0214636,0.080928,0.049125,0.021046],[-0.0326769,0.0477063,0.0285691,0.0118822],[-0.0389401,-0.00214317,-0.000379361,0.000689741],[-0.0300664,-0.0142746,-0.0077269,-0.00242721]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 98.40
S298 (cal/mol*K) = 41.35
G298 (kcal/mol) = 86.08

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(173); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(173)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.830e+01 -2.402e-01 -1.510e-01 -6.974e-02 / CHEB/ 3.110e+01 7.804e-02 4.728e-02 2.013e-02 / CHEB/ -2.146e-02 8.093e-02 4.912e-02 2.105e-02 / CHEB/ -3.268e-02 4.771e-02 2.857e-02 1.188e-02 / CHEB/ -3.894e-02 -2.143e-03 -3.794e-04 6.897e-04 / CHEB/ -3.007e-02 -1.427e-02 -7.727e-03 -2.427e-03 /

4013.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.9	-13.4	-6.0	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-36.1	-13.5	-6.1	-2.5

Chebyshev(coeffs=[[-28.1959,-0.230973,-0.145732,-0.0677693],[31.8127,0.0749986,0.0456115,0.0195653],[-0.00698002,0.0777643,0.0474466,0.0205523],[-0.0291836,0.0460678,0.0277517,0.0116923],[-0.0374504,-0.00215379,-0.000421428,0.0006458],[-0.0292197,-0.0139046,-0.00760316,-0.00246318]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 100.60
S298 (cal/mol*K) = 40.93
G298 (kcal/mol) = 88.41

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(178); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(178)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.820e+01 -2.310e-01 -1.457e-01 -6.777e-02 / CHEB/ 3.181e+01 7.500e-02 4.561e-02 1.957e-02 / CHEB/ -6.980e-03 7.776e-02 4.745e-02 2.055e-02 / CHEB/ -2.918e-02 4.607e-02 2.775e-02 1.169e-02 / CHEB/ -3.745e-02 -2.154e-03 -4.214e-04 6.458e-04 / CHEB/ -2.922e-02 -1.390e-02 -7.603e-03 -2.463e-03 /

4014.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.9	-16.6	-8.9	-5.2
log₁₀(k(10 bar)/[mole,m,s])	-40.1	-16.7	-9.0	-5.2

Chebyshev(coeffs=[[-32.097,-0.214485,-0.136209,-0.0641323],[32.9237,0.0727454,0.0445698,0.0194163],[0.0444268,0.0721694,0.0445001,0.0197121],[-0.0194073,0.0424198,0.0258744,0.0111998],[-0.0356908,-0.00269888,-0.00080302,0.000447213],[-0.0279979,-0.0133762,-0.00746836,-0.00257173]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 103.80
S298 (cal/mol*K) = 33.65
G298 (kcal/mol) = 93.78

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(820); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(820)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.210e+01 -2.145e-01 -1.362e-01 -6.413e-02 / CHEB/ 3.292e+01 7.275e-02 4.457e-02 1.942e-02 / CHEB/ 4.443e-02 7.217e-02 4.450e-02 1.971e-02 / CHEB/ -1.941e-02 4.242e-02 2.587e-02 1.120e-02 / CHEB/ -3.569e-02 -2.699e-03 -8.030e-04 4.472e-04 / CHEB/ -2.800e-02 -1.338e-02 -7.468e-03 -2.572e-03 /

4041.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.3	-1.9	-0.5	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-2.2	-0.6	-0.3

Chebyshev(coeffs=[[-1.97352,-1.10646,-0.199141,0.0180299],[8.30393,0.873361,0.0177945,-0.0616138],[-0.0929077,0.219958,0.098583,-0.0122389],[-0.301907,-0.0288092,0.0448445,0.020879],[-0.183632,-0.0539544,-0.00563434,0.0153506],[-0.0699489,-0.0249604,-0.0147363,0.000914754]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.30
S298 (cal/mol*K) = 8.67
G298 (kcal/mol) = 22.71

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(821); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(821)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.974e+00 -1.106e+00 -1.991e-01 1.803e-02 / CHEB/ 8.304e+00 8.734e-01 1.779e-02 -6.161e-02 / CHEB/ -9.291e-02 2.200e-01 9.858e-02 -1.224e-02 / CHEB/ -3.019e-01 -2.881e-02 4.484e-02 2.088e-02 / CHEB/ -1.836e-01 -5.395e-02 -5.634e-03 1.535e-02 / CHEB/ -6.995e-02 -2.496e-02 -1.474e-02 9.148e-04 /

4042.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	-0.1	+0.8	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-6.0	-0.5	+0.7	+0.6

Chebyshev(coeffs=[[1.45486,-1.28185,-0.154904,0.00754933],[5.68752,0.924413,-0.0638948,-0.0377981],[0.124619,0.282209,0.0798746,-0.0295686],[-0.332094,-0.014622,0.0640565,0.00994322],[-0.213886,-0.0593403,0.00905687,0.0190246],[-0.0860725,-0.0267184,-0.0127435,0.00601348]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.20
S298 (cal/mol*K) = -0.26
G298 (kcal/mol) = 12.27

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(822); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(822)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.455e+00 -1.282e+00 -1.549e-01 7.549e-03 / CHEB/ 5.688e+00 9.244e-01 -6.389e-02 -3.780e-02 / CHEB/ 1.246e-01 2.822e-01 7.987e-02 -2.957e-02 / CHEB/ -3.321e-01 -1.462e-02 6.406e-02 9.943e-03 / CHEB/ -2.139e-01 -5.934e-02 9.057e-03 1.902e-02 / CHEB/ -8.607e-02 -2.672e-02 -1.274e-02 6.013e-03 /

4043.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.3	-3.5	-1.5	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-3.7	-1.6	-1.0

Chebyshev(coeffs=[[-5.01638,-0.958753,-0.227924,0.0145247],[10.7226,0.794464,0.0814469,-0.0644044],[-0.170011,0.17857,0.0978239,0.00345537],[-0.266652,-0.0342569,0.0287413,0.0228083],[-0.15694,-0.0502535,-0.0127424,0.0103094],[-0.061035,-0.0227561,-0.0144629,-0.00175447]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.80
S298 (cal/mol*K) = 7.94
G298 (kcal/mol) = 32.43

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(213); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(213)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.016e+00 -9.588e-01 -2.279e-01 1.452e-02 / CHEB/ 1.072e+01 7.945e-01 8.145e-02 -6.440e-02 / CHEB/ -1.700e-01 1.786e-01 9.782e-02 3.455e-03 / CHEB/ -2.667e-01 -3.426e-02 2.874e-02 2.281e-02 / CHEB/ -1.569e-01 -5.025e-02 -1.274e-02 1.031e-02 / CHEB/ -6.103e-02 -2.276e-02 -1.446e-02 -1.754e-03 /

4044.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-1.9	-0.4	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-2.2	-0.5	-0.1

Chebyshev(coeffs=[[-2.32069,-1.08047,-0.205149,0.0183192],[8.83221,0.860507,0.0299005,-0.0634663],[-0.0884046,0.212722,0.0989943,-0.00930033],[-0.287624,-0.0299952,0.0419953,0.0215886],[-0.175852,-0.0535724,-0.00699559,0.0144932],[-0.0677787,-0.0244725,-0.0148694,0.000385007]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.25
S298 (cal/mol*K) = 7.87
G298 (kcal/mol) = 24.90

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(823); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(823)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.321e+00 -1.080e+00 -2.051e-01 1.832e-02 / CHEB/ 8.832e+00 8.605e-01 2.990e-02 -6.347e-02 / CHEB/ -8.840e-02 2.127e-01 9.899e-02 -9.300e-03 / CHEB/ -2.876e-01 -3.000e-02 4.200e-02 2.159e-02 / CHEB/ -1.759e-01 -5.357e-02 -6.996e-03 1.449e-02 / CHEB/ -6.778e-02 -2.447e-02 -1.487e-02 3.850e-04 /

4045.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	-1.1	-0.0	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-1.5	-0.2	+0.0

Chebyshev(coeffs=[[0.201828,-1.2457,-0.162398,0.0102189],[6.25892,0.925237,-0.0481105,-0.0430842],[0.0720738,0.26853,0.0870203,-0.026856],[-0.287408,-0.0203784,0.0606139,0.0132997],[-0.141273,-0.0597183,0.00496394,0.0189719],[-0.0637499,-0.0266293,-0.0139155,0.00472638]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.80
S298 (cal/mol*K) = -0.38
G298 (kcal/mol) = 13.91

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(824); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(824)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.018e-01 -1.246e+00 -1.624e-01 1.022e-02 / CHEB/ 6.259e+00 9.252e-01 -4.811e-02 -4.308e-02 / CHEB/ 7.207e-02 2.685e-01 8.702e-02 -2.686e-02 / CHEB/ -2.874e-01 -2.038e-02 6.061e-02 1.330e-02 / CHEB/ -1.413e-01 -5.972e-02 4.964e-03 1.897e-02 / CHEB/ -6.375e-02 -2.663e-02 -1.392e-02 4.726e-03 /

4046.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-4.9	-2.7	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-14.1	-5.1	-2.7	-2.0

Chebyshev(coeffs=[[-6.95737,-0.913316,-0.23384,0.011309],[11.5907,0.767998,0.0984669,-0.0618708],[-0.161664,0.166344,0.0958668,0.0076613],[-0.251157,-0.0361108,0.0239781,0.0225794],[-0.147671,-0.0490566,-0.0143866,0.00869365],[-0.0586898,-0.0214658,-0.0141738,-0.00247565]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.80
S298 (cal/mol*K) = 5.24
G298 (kcal/mol) = 36.23

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(825); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(825)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.957e+00 -9.133e-01 -2.338e-01 1.131e-02 / CHEB/ 1.159e+01 7.680e-01 9.847e-02 -6.187e-02 / CHEB/ -1.617e-01 1.663e-01 9.587e-02 7.661e-03 / CHEB/ -2.512e-01 -3.611e-02 2.398e-02 2.258e-02 / CHEB/ -1.477e-01 -4.906e-02 -1.439e-02 8.694e-03 / CHEB/ -5.869e-02 -2.147e-02 -1.417e-02 -2.476e-03 /

4047.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.3	-4.9	-2.7	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-14.1	-5.1	-2.7	-2.0

H298 (kcal/mol) = 37.80
S298 (cal/mol*K) = 5.24
G298 (kcal/mol) = 36.23

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(826); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(826)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.957e+00 -9.133e-01 -2.338e-01 1.131e-02 / CHEB/ 1.159e+01 7.680e-01 9.847e-02 -6.187e-02 / CHEB/ -1.617e-01 1.663e-01 9.587e-02 7.661e-03 / CHEB/ -2.512e-01 -3.611e-02 2.398e-02 2.258e-02 / CHEB/ -1.477e-01 -4.906e-02 -1.439e-02 8.694e-03 / CHEB/ -5.869e-02 -2.147e-02 -1.417e-02 -2.476e-03 /

4048.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	+0.2	+1.7	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-0.0	+1.6	+1.9

Chebyshev(coeffs=[[-0.0198305,-1.07886,-0.205288,0.0182515],[8.58673,0.860635,0.0304168,-0.063493],[-0.145623,0.211555,0.0992509,-0.00907874],[-0.306556,-0.0302866,0.0417798,0.0216584],[-0.181552,-0.0532909,-0.00723401,0.0144228],[-0.0693415,-0.0244716,-0.0148522,0.000324272]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.69
S298 (cal/mol*K) = 16.53
G298 (kcal/mol) = 21.76

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(484); H(25), CH2(137); C7H9(5)+H(25)(+M)=>CH2(137)+C6H8(484)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.983e-02 -1.079e+00 -2.053e-01 1.825e-02 / CHEB/ 8.587e+00 8.606e-01 3.042e-02 -6.349e-02 / CHEB/ -1.456e-01 2.116e-01 9.925e-02 -9.079e-03 / CHEB/ -3.066e-01 -3.029e-02 4.178e-02 2.166e-02 / CHEB/ -1.816e-01 -5.329e-02 -7.234e-03 1.442e-02 / CHEB/ -6.934e-02 -2.447e-02 -1.485e-02 3.243e-04 /

4049.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.9	-0.2	+0.6	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-5.9	-0.6	+0.4	+0.3

Chebyshev(coeffs=[[1.44916,-1.27228,-0.157305,0.008421],[5.47791,0.923528,-0.0596317,-0.0394467],[0.029955,0.278572,0.0816477,-0.0288729],[-0.352171,-0.0159353,0.0631794,0.0108038],[-0.220346,-0.059065,0.00801205,0.0190113],[-0.087619,-0.0265583,-0.0129879,0.00568041]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.47
S298 (cal/mol*K) = -10.35
G298 (kcal/mol) = 9.55

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(827); H(25), C7H10(827); C7H9(5)+H(25)(+M)=>C7H10(827)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.449e+00 -1.272e+00 -1.573e-01 8.421e-03 / CHEB/ 5.478e+00 9.235e-01 -5.963e-02 -3.945e-02 / CHEB/ 2.995e-02 2.786e-01 8.165e-02 -2.887e-02 / CHEB/ -3.522e-01 -1.594e-02 6.318e-02 1.080e-02 / CHEB/ -2.203e-01 -5.906e-02 8.012e-03 1.901e-02 / CHEB/ -8.762e-02 -2.656e-02 -1.299e-02 5.680e-03 /

4050.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+1.6	+2.0	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+1.1	+1.8	+1.4

Chebyshev(coeffs=[[4.23448,-1.36472,-0.139205,0.0017802],[3.83158,0.904779,-0.0940053,-0.0263072],[0.0688761,0.318844,0.056116,-0.0323353],[-0.375748,0.00312337,0.0690509,0.000970098],[-0.243454,-0.0609438,0.0204196,0.0171095],[-0.103037,-0.0292599,-0.00886824,0.00899004]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.23
S298 (cal/mol*K) = -11.08
G298 (kcal/mol) = -0.93

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(342); H(25), C7H10(342); C7H9(5)+H(25)(+M)=>C7H10(342)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.234e+00 -1.365e+00 -1.392e-01 1.780e-03 / CHEB/ 3.832e+00 9.048e-01 -9.401e-02 -2.631e-02 / CHEB/ 6.888e-02 3.188e-01 5.612e-02 -3.234e-02 / CHEB/ -3.757e-01 3.123e-03 6.905e-02 9.701e-04 / CHEB/ -2.435e-01 -6.094e-02 2.042e-02 1.711e-02 / CHEB/ -1.030e-01 -2.926e-02 -8.868e-03 8.990e-03 /

4051.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	-1.3	+0.0	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-8.4	-1.6	-0.1	+0.2

Chebyshev(coeffs=[[-1.06066,-1.15076,-0.188544,0.0167787],[7.82002,0.89172,-0.00285175,-0.057358],[-0.0126146,0.234473,0.0963086,-0.0172383],[-0.296312,-0.0264016,0.0498818,0.0191402],[-0.187519,-0.0553625,-0.00264224,0.0167221],[-0.0721765,-0.0253369,-0.0145759,0.00197442]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.47
S298 (cal/mol*K) = -10.35
G298 (kcal/mol) = 9.55

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(828); H(25), C7H10(828); C7H9(5)+H(25)(+M)=>C7H10(828)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.061e+00 -1.151e+00 -1.885e-01 1.678e-02 / CHEB/ 7.820e+00 8.917e-01 -2.852e-03 -5.736e-02 / CHEB/ -1.261e-02 2.345e-01 9.631e-02 -1.724e-02 / CHEB/ -2.963e-01 -2.640e-02 4.988e-02 1.914e-02 / CHEB/ -1.875e-01 -5.536e-02 -2.642e-03 1.672e-02 / CHEB/ -7.218e-02 -2.534e-02 -1.458e-02 1.974e-03 /

4052.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.5	-0.5	+0.0	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-5.6	-0.9	-0.1	-0.4

Chebyshev(coeffs=[[1.86161,-1.3318,-0.144415,0.00372061],[4.36462,0.918008,-0.0832566,-0.0303831],[0.0623255,0.304368,0.0668807,-0.0318282],[-0.373762,-0.00547618,0.0679676,0.00468826],[-0.235457,-0.0607129,0.0155728,0.0183442],[-0.0972315,-0.0279199,-0.0108715,0.00788503]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.57
S298 (cal/mol*K) = -10.35
G298 (kcal/mol) = 6.65

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(339); H(25), C7H10(339); C7H9(5)+H(25)(+M)=>C7H10(339)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.862e+00 -1.332e+00 -1.444e-01 3.721e-03 / CHEB/ 4.365e+00 9.180e-01 -8.326e-02 -3.038e-02 / CHEB/ 6.233e-02 3.044e-01 6.688e-02 -3.183e-02 / CHEB/ -3.738e-01 -5.476e-03 6.797e-02 4.688e-03 / CHEB/ -2.355e-01 -6.071e-02 1.557e-02 1.834e-02 / CHEB/ -9.723e-02 -2.792e-02 -1.087e-02 7.885e-03 /

4053.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	-1.1	-0.4	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-1.5	-0.6	-0.8

Chebyshev(coeffs=[[0.93009,-1.31129,-0.148429,0.00522589],[4.8766,0.922296,-0.0756864,-0.0333157],[0.0833824,0.295224,0.0726829,-0.0311032],[-0.358911,-0.00972567,0.0666129,0.00692298],[-0.227281,-0.0602455,0.0127644,0.018779],[-0.0927033,-0.0273253,-0.0117812,0.0071255]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.27
S298 (cal/mol*K) = -11.08
G298 (kcal/mol) = 9.57

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(341); H(25), C7H10(341); C7H9(5)+H(25)(+M)=>C7H10(341)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.301e-01 -1.311e+00 -1.484e-01 5.226e-03 / CHEB/ 4.877e+00 9.223e-01 -7.569e-02 -3.332e-02 / CHEB/ 8.338e-02 2.952e-01 7.268e-02 -3.110e-02 / CHEB/ -3.589e-01 -9.726e-03 6.661e-02 6.923e-03 / CHEB/ -2.273e-01 -6.025e-02 1.276e-02 1.878e-02 / CHEB/ -9.270e-02 -2.733e-02 -1.178e-02 7.126e-03 /

4054.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.5	-0.5	-0.0	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-5.5	-1.0	-0.2	-0.6

Chebyshev(coeffs=[[1.88229,-1.34112,-0.142781,0.00310759],[4.23264,0.915064,-0.0864679,-0.0291513],[0.0718394,0.30856,0.0639888,-0.0320461],[-0.373377,-0.00327972,0.0684362,0.00363869],[-0.237224,-0.060854,0.0169109,0.0180655],[-0.0986018,-0.0282503,-0.0103755,0.0082177]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.33
S298 (cal/mol*K) = -12.46
G298 (kcal/mol) = 2.38

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(829); H(25), C7H10(829); C7H9(5)+H(25)(+M)=>C7H10(829)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.882e+00 -1.341e+00 -1.428e-01 3.108e-03 / CHEB/ 4.233e+00 9.151e-01 -8.647e-02 -2.915e-02 / CHEB/ 7.184e-02 3.086e-01 6.399e-02 -3.205e-02 / CHEB/ -3.734e-01 -3.280e-03 6.844e-02 3.639e-03 / CHEB/ -2.372e-01 -6.085e-02 1.691e-02 1.807e-02 / CHEB/ -9.860e-02 -2.825e-02 -1.038e-02 8.218e-03 /

4055.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	-0.4	+0.1	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-5.4	-0.8	-0.1	-0.4

Chebyshev(coeffs=[[1.99195,-1.3318,-0.144415,0.00372061],[4.29788,0.918008,-0.0832566,-0.0303831],[0.0475857,0.304368,0.0668807,-0.0318282],[-0.378102,-0.00547618,0.0679676,0.00468826],[-0.236894,-0.0607129,0.0155728,0.0183442],[-0.0977377,-0.0279199,-0.0108715,0.00788503]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.57
S298 (cal/mol*K) = -10.35
G298 (kcal/mol) = 6.65

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(340); H(25), C7H10(340); C7H9(5)+H(25)(+M)=>C7H10(340)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.992e+00 -1.332e+00 -1.444e-01 3.721e-03 / CHEB/ 4.298e+00 9.180e-01 -8.326e-02 -3.038e-02 / CHEB/ 4.759e-02 3.044e-01 6.688e-02 -3.183e-02 / CHEB/ -3.781e-01 -5.476e-03 6.797e-02 4.688e-03 / CHEB/ -2.369e-01 -6.071e-02 1.557e-02 1.834e-02 / CHEB/ -9.774e-02 -2.792e-02 -1.087e-02 7.885e-03 /

4056.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+5.1	+5.2	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+1.1	+4.5	+4.9	+4.4

Chebyshev(coeffs=[[8.39712,-1.43704,-0.133021,-0.000133776],[2.80376,0.84902,-0.113055,-0.0195034],[-0.0380857,0.340675,0.0294964,-0.0315058],[-0.374836,0.0281745,0.0648521,-0.00638751],[-0.258413,-0.0571963,0.0301683,0.012304],[-0.119283,-0.0333527,-0.00231466,0.0101883]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.46
S298 (cal/mol*K) = -9.09
G298 (kcal/mol) = -10.75

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(316); H(25), C7H10(316); C7H9(5)+H(25)(+M)=>C7H10(316)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.397e+00 -1.437e+00 -1.330e-01 -1.338e-04 / CHEB/ 2.804e+00 8.490e-01 -1.131e-01 -1.950e-02 / CHEB/ -3.809e-02 3.407e-01 2.950e-02 -3.151e-02 / CHEB/ -3.748e-01 2.817e-02 6.485e-02 -6.388e-03 / CHEB/ -2.584e-01 -5.720e-02 3.017e-02 1.230e-02 / CHEB/ -1.193e-01 -3.335e-02 -2.315e-03 1.019e-02 /

4057.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	+3.9	+5.0	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-1.9	+3.2	+4.6	+4.7

Chebyshev(coeffs=[[6.06681,-1.64427,-0.117199,-0.000139029],[4.90987,0.818685,-0.12936,-0.0287321],[0.378448,0.424902,0.0150081,-0.0206991],[-0.294667,0.105335,0.0448647,-0.000669658],[-0.219162,-0.0199937,0.0244594,0.00226696],[-0.0950459,-0.0322749,0.00787752,0.00142938]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.24
S298 (cal/mol*K) = -6.17
G298 (kcal/mol) = 2.08

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(477); H(25), C7H10(477); C7H9(5)+H(25)(+M)=>C7H10(477)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.067e+00 -1.644e+00 -1.172e-01 -1.390e-04 / CHEB/ 4.910e+00 8.187e-01 -1.294e-01 -2.873e-02 / CHEB/ 3.784e-01 4.249e-01 1.501e-02 -2.070e-02 / CHEB/ -2.947e-01 1.053e-01 4.486e-02 -6.697e-04 / CHEB/ -2.192e-01 -1.999e-02 2.446e-02 2.267e-03 / CHEB/ -9.505e-02 -3.227e-02 7.878e-03 1.429e-03 /

4058.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-1.3	+0.8	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-1.5	+0.7	+1.4

Chebyshev(coeffs=[[-3.05844,-0.950767,-0.228722,0.0140698],[11.0814,0.790954,0.0844375,-0.0640222],[-0.117875,0.175598,0.097583,0.00426989],[-0.251327,-0.0349306,0.027792,0.0227784],[-0.151104,-0.0497047,-0.0131379,0.00998791],[-0.058307,-0.0225106,-0.0143378,-0.0018681]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.07
S298 (cal/mol*K) = -0.09
G298 (kcal/mol) = 33.10

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(830); H(25), C7H10(830); C7H9(5)+H(25)(+M)=>C7H10(830)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.058e+00 -9.508e-01 -2.287e-01 1.407e-02 / CHEB/ 1.108e+01 7.910e-01 8.444e-02 -6.402e-02 / CHEB/ -1.179e-01 1.756e-01 9.758e-02 4.270e-03 / CHEB/ -2.513e-01 -3.493e-02 2.779e-02 2.278e-02 / CHEB/ -1.511e-01 -4.970e-02 -1.314e-02 9.988e-03 / CHEB/ -5.831e-02 -2.251e-02 -1.434e-02 -1.868e-03 /

4059.

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PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	+1.0	+2.8	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-7.2	+0.7	+2.8	+3.3

Chebyshev(coeffs=[[-0.0289069,-1.02265,-0.218101,0.0177359],[9.91447,0.825995,0.0563234,-0.0655847],[-0.10581,0.1998,0.0981589,-0.00329993],[-0.256642,-0.0312895,0.0359318,0.0224243],[-0.161191,-0.0531685,-0.00934984,0.0126942],[-0.0645391,-0.0236679,-0.0148963,-0.000594052]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.28
S298 (cal/mol*K) = 0.16
G298 (kcal/mol) = 10.23

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(831); H(25), C7H10(831); C7H9(5)+H(25)(+M)=>C7H10(831)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.891e-02 -1.023e+00 -2.181e-01 1.774e-02 / CHEB/ 9.914e+00 8.260e-01 5.632e-02 -6.558e-02 / CHEB/ -1.058e-01 1.998e-01 9.816e-02 -3.300e-03 / CHEB/ -2.566e-01 -3.129e-02 3.593e-02 2.242e-02 / CHEB/ -1.612e-01 -5.317e-02 -9.350e-03 1.269e-02 / CHEB/ -6.454e-02 -2.367e-02 -1.490e-02 -5.941e-04 /

4060.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	+1.0	+2.8	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-7.2	+0.7	+2.8	+3.3

H298 (kcal/mol) = 10.28
S298 (cal/mol*K) = 0.16
G298 (kcal/mol) = 10.23

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(832); H(25), C7H10(832); C7H9(5)+H(25)(+M)=>C7H10(832)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.891e-02 -1.023e+00 -2.181e-01 1.774e-02 / CHEB/ 9.914e+00 8.260e-01 5.632e-02 -6.558e-02 / CHEB/ -1.058e-01 1.998e-01 9.816e-02 -3.300e-03 / CHEB/ -2.566e-01 -3.129e-02 3.593e-02 2.242e-02 / CHEB/ -1.612e-01 -5.317e-02 -9.350e-03 1.269e-02 / CHEB/ -6.454e-02 -2.367e-02 -1.490e-02 -5.941e-04 /

4061.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	+1.5	+3.4	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-6.2	+0.5	+3.0	+4.2

Chebyshev(coeffs=[[1.45198,-2.49571,-0.835134,-0.0624962],[8.37192,1.82271,0.448564,-0.0561268],[0.339561,0.303043,0.169843,0.0364139],[0.0330582,0.143889,0.0589652,0.0107028],[-0.0144593,0.0567513,0.0299398,0.00558869],[-0.0224608,-0.00822214,0.00902342,0.00639752]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.83
S298 (cal/mol*K) = 49.42
G298 (kcal/mol) = 0.11

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H5(99); H(25), C3H6(613); C7H10(1)+H(25)(+M)=>C4H5(99)+C3H6(613)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.452e+00 -2.496e+00 -8.351e-01 -6.250e-02 / CHEB/ 8.372e+00 1.823e+00 4.486e-01 -5.613e-02 / CHEB/ 3.396e-01 3.030e-01 1.698e-01 3.641e-02 / CHEB/ 3.306e-02 1.439e-01 5.897e-02 1.070e-02 / CHEB/ -1.446e-02 5.675e-02 2.994e-02 5.589e-03 / CHEB/ -2.246e-02 -8.222e-03 9.023e-03 6.398e-03 /

4062.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.6	-7.7	-1.8	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-26.0	-7.9	-1.9	+1.0

Chebyshev(coeffs=[[-18.4868,-0.516723,-0.3021,-0.122246],[25.5344,0.256875,0.145312,0.0553264],[0.0139363,0.141912,0.0786808,0.0273856],[0.0040005,0.0885698,0.0485425,0.0163845],[-0.0195223,-0.00205476,0.00229042,0.00387398],[-0.0217439,-0.0260208,-0.0117503,-0.00167039]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.20
S298 (cal/mol*K) = 59.41
G298 (kcal/mol) = 62.49

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H5(99); H(25), C3H6(614); C7H10(1)+H(25)(+M)=>C4H5(99)+C3H6(614)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.849e+01 -5.167e-01 -3.021e-01 -1.222e-01 / CHEB/ 2.553e+01 2.569e-01 1.453e-01 5.533e-02 / CHEB/ 1.394e-02 1.419e-01 7.868e-02 2.739e-02 / CHEB/ 4.001e-03 8.857e-02 4.854e-02 1.638e-02 / CHEB/ -1.952e-02 -2.055e-03 2.290e-03 3.874e-03 / CHEB/ -2.174e-02 -2.602e-02 -1.175e-02 -1.670e-03 /

4063.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.2	-10.7	-3.6	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-32.5	-10.8	-3.6	-0.1

Chebyshev(coeffs=[[-24.7083,-0.334523,-0.206976,-0.0934342],[30.6324,0.155624,0.0932766,0.0397431],[-0.0174101,0.0986648,0.059879,0.0256954],[-0.0124299,0.0625981,0.037306,0.0154435],[-0.0261996,-0.00420317,-0.00120345,0.000641695],[-0.0248381,-0.0199854,-0.0108435,-0.00351107]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.03
S298 (cal/mol*K) = 62.40
G298 (kcal/mol) = 78.43

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(615); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(615)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.471e+01 -3.345e-01 -2.070e-01 -9.343e-02 / CHEB/ 3.063e+01 1.556e-01 9.328e-02 3.974e-02 / CHEB/ -1.741e-02 9.866e-02 5.988e-02 2.570e-02 / CHEB/ -1.243e-02 6.260e-02 3.731e-02 1.544e-02 / CHEB/ -2.620e-02 -4.203e-03 -1.203e-03 6.417e-04 / CHEB/ -2.484e-02 -1.999e-02 -1.084e-02 -3.511e-03 /

4064.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.9	-9.7	-3.6	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-28.2	-9.9	-3.7	-0.6

Chebyshev(coeffs=[[-20.5992,-0.459969,-0.276109,-0.117186],[25.8264,0.246953,0.143109,0.0557678],[0.122254,0.0835176,0.0501535,0.0219458],[0.0309119,0.0797045,0.043789,0.0148476],[0.00245334,0.0158663,0.011347,0.00611628],[-0.01013,-0.016127,-0.00718143,-0.000956532]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 79.67
S298 (cal/mol*K) = 45.28
G298 (kcal/mol) = 66.18

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(118); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(118)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.060e+01 -4.600e-01 -2.761e-01 -1.172e-01 / CHEB/ 2.583e+01 2.470e-01 1.431e-01 5.577e-02 / CHEB/ 1.223e-01 8.352e-02 5.015e-02 2.195e-02 / CHEB/ 3.091e-02 7.970e-02 4.379e-02 1.485e-02 / CHEB/ 2.453e-03 1.587e-02 1.135e-02 6.116e-03 / CHEB/ -1.013e-02 -1.613e-02 -7.181e-03 -9.565e-04 /

4065.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.9	-12.3	-5.3	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-33.2	-12.4	-5.4	-1.9

Chebyshev(coeffs=[[-25.3407,-0.401573,-0.24321,-0.105612],[29.2562,0.192973,0.113147,0.0463935],[0.177933,0.116845,0.0688078,0.0276924],[0.0510615,0.0729442,0.0422367,0.0163931],[-0.00509655,-0.00467098,-0.000878287,0.00123717],[-0.0181513,-0.0234,-0.0121078,-0.003403]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.07
S298 (cal/mol*K) = 45.96
G298 (kcal/mol) = 77.38

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(120); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(120)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.534e+01 -4.016e-01 -2.432e-01 -1.056e-01 / CHEB/ 2.926e+01 1.930e-01 1.131e-01 4.639e-02 / CHEB/ 1.779e-01 1.168e-01 6.881e-02 2.769e-02 / CHEB/ 5.106e-02 7.294e-02 4.224e-02 1.639e-02 / CHEB/ -5.097e-03 -4.671e-03 -8.783e-04 1.237e-03 / CHEB/ -1.815e-02 -2.340e-02 -1.211e-02 -3.403e-03 /

4066.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	+0.7	+2.3	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-0.4	+1.7	+2.8

Chebyshev(coeffs=[[1.25485,-2.87295,-0.849331,-0.0450519],[7.26734,2.10657,0.39405,-0.0824462],[0.294396,0.346807,0.212504,0.0411065],[0.00758939,0.147522,0.0698031,0.0164352],[-0.0323557,0.0562547,0.024037,0.0022223],[-0.03296,-0.0075981,0.00583136,0.00252442]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.59
S298 (cal/mol*K) = 9.44
G298 (kcal/mol) = -15.40

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(616); H(25), C7H11(616); C7H10(1)+H(25)(+M)=>C7H11(616)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.255e+00 -2.873e+00 -8.493e-01 -4.505e-02 / CHEB/ 7.267e+00 2.107e+00 3.941e-01 -8.245e-02 / CHEB/ 2.944e-01 3.468e-01 2.125e-01 4.111e-02 / CHEB/ 7.589e-03 1.475e-01 6.980e-02 1.644e-02 / CHEB/ -3.236e-02 5.625e-02 2.404e-02 2.222e-03 / CHEB/ -3.296e-02 -7.598e-03 5.831e-03 2.524e-03 /

4067.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.5	-6.3	-1.2	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-22.0	-6.7	-1.3	+1.3

Chebyshev(coeffs=[[-14.5446,-0.733607,-0.405204,-0.14446],[21.6023,0.377923,0.201837,0.0660279],[0.187883,0.202129,0.104999,0.0316739],[0.0692486,0.12278,0.061993,0.0167453],[0.00286699,-0.000719326,0.00431873,0.00517477],[-0.0163264,-0.0366268,-0.0150763,-0.00116839]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.81
S298 (cal/mol*K) = 50.70
G298 (kcal/mol) = 42.70

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H7(210); H(25), C2H4(603); C7H10(1)+H(25)(+M)=>C5H7(210)+C2H4(603)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.454e+01 -7.336e-01 -4.052e-01 -1.445e-01 / CHEB/ 2.160e+01 3.779e-01 2.018e-01 6.603e-02 / CHEB/ 1.879e-01 2.021e-01 1.050e-01 3.167e-02 / CHEB/ 6.925e-02 1.228e-01 6.199e-02 1.675e-02 / CHEB/ 2.867e-03 -7.193e-04 4.319e-03 5.175e-03 / CHEB/ -1.633e-02 -3.663e-02 -1.508e-02 -1.168e-03 /

4068.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.4	-11.2	-4.4	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-31.7	-11.3	-4.4	-1.0

Chebyshev(coeffs=[[-23.8521,-0.42016,-0.253009,-0.108702],[28.6485,0.203348,0.118534,0.0480861],[0.16844,0.121834,0.0711678,0.0281444],[0.0496963,0.0757992,0.0435391,0.0165854],[-0.00548407,-0.00472634,-0.000734969,0.00142654],[-0.0184377,-0.0243117,-0.0124164,-0.00334459]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.44
S298 (cal/mol*K) = 51.16
G298 (kcal/mol) = 65.20

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(618); H(25), CH3(425); C7H10(1)+H(25)(+M)=>C6H8(618)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.385e+01 -4.202e-01 -2.530e-01 -1.087e-01 / CHEB/ 2.865e+01 2.033e-01 1.185e-01 4.809e-02 / CHEB/ 1.684e-01 1.218e-01 7.117e-02 2.814e-02 / CHEB/ 4.970e-02 7.580e-02 4.354e-02 1.659e-02 / CHEB/ -5.484e-03 -4.726e-03 -7.350e-04 1.427e-03 / CHEB/ -1.844e-02 -2.431e-02 -1.242e-02 -3.345e-03 /

4069.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.1	-14.9	-7.7	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-36.4	-15.1	-7.8	-4.1

Chebyshev(coeffs=[[-28.3999,-0.379125,-0.231078,-0.101535],[29.9429,0.187595,0.110595,0.0457657],[0.253147,0.109545,0.0653308,0.0270008],[0.0688739,0.0674461,0.0395585,0.0158118],[-0.000844681,-0.00579437,-0.00168936,0.000808903],[-0.0167325,-0.0224538,-0.0118627,-0.00355652]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 92.72
S298 (cal/mol*K) = 39.44
G298 (kcal/mol) = 80.97

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(619); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(619)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.840e+01 -3.791e-01 -2.311e-01 -1.015e-01 / CHEB/ 2.994e+01 1.876e-01 1.106e-01 4.577e-02 / CHEB/ 2.531e-01 1.095e-01 6.533e-02 2.700e-02 / CHEB/ 6.887e-02 6.745e-02 3.956e-02 1.581e-02 / CHEB/ -8.447e-04 -5.794e-03 -1.689e-03 8.089e-04 / CHEB/ -1.673e-02 -2.245e-02 -1.186e-02 -3.557e-03 /

4091.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.5	-5.5	-1.7	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-17.5	-5.6	-1.7	+0.1

Chebyshev(coeffs=[[-10.6209,-0.105403,-0.0605333,-0.0272192],[16.9363,0.0677977,0.0418621,0.0195137],[-0.0987088,0.0137969,0.0092181,0.00556559],[-0.0814004,-0.00358875,-0.00406409,-0.00213694],[-0.0278078,0.00381786,0.000127764,-0.000852604],[-0.0102557,0.00349074,0.00085257,-0.000272629]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.50
S298 (cal/mol*K) = 1.49
G298 (kcal/mol) = 19.06

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(528); H(25), C7H10(528); C7H9(5)+H(25)(+M)=>C7H10(528)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.062e+01 -1.054e-01 -6.053e-02 -2.722e-02 / CHEB/ 1.694e+01 6.780e-02 4.186e-02 1.951e-02 / CHEB/ -9.871e-02 1.380e-02 9.218e-03 5.566e-03 / CHEB/ -8.140e-02 -3.589e-03 -4.064e-03 -2.137e-03 / CHEB/ -2.781e-02 3.818e-03 1.278e-04 -8.526e-04 / CHEB/ -1.026e-02 3.491e-03 8.526e-04 -2.726e-04 /

4092.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	+1.2	+3.4	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-5.8	+1.1	+3.3	+4.3

Chebyshev(coeffs=[[1.06309,-0.275009,-0.0928941,-0.0108512],[9.24527,0.202513,0.0509996,-0.013027],[0.228404,0.0177709,0.0351451,0.0195717],[-0.10394,-0.0272938,-0.00607534,0.00840878],[-0.0599375,-0.00409352,-0.00873505,-0.00252072],[-0.011322,0.00666528,-0.00384253,-0.0037963]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.85
S298 (cal/mol*K) = -5.78
G298 (kcal/mol) = 26.58

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(833); H(25), C7H10(833); C7H9(5)+H(25)(+M)=>C7H10(833)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.063e+00 -2.750e-01 -9.289e-02 -1.085e-02 / CHEB/ 9.245e+00 2.025e-01 5.100e-02 -1.303e-02 / CHEB/ 2.284e-01 1.777e-02 3.515e-02 1.957e-02 / CHEB/ -1.039e-01 -2.729e-02 -6.075e-03 8.409e-03 / CHEB/ -5.994e-02 -4.094e-03 -8.735e-03 -2.521e-03 / CHEB/ -1.132e-02 6.665e-03 -3.843e-03 -3.796e-03 /

4093.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.6	-1.1	+2.2	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-1.3	+2.1	+3.8

Chebyshev(coeffs=[[-4.62283,-0.478122,0.0147653,-0.0043808],[14.4724,0.414068,-0.0721732,0.00704574],[0.0615873,-0.0446556,0.0341509,0.00351492],[-0.104063,0.0364423,-0.00255192,-0.0115765],[-0.0446697,0.0286198,-0.00479336,-0.00235116],[-0.0111603,0.00690561,0.00418162,-0.000813232]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.06
S298 (cal/mol*K) = 23.55
G298 (kcal/mol) = 34.04

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(834); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(834)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.623e+00 -4.781e-01 1.477e-02 -4.381e-03 / CHEB/ 1.447e+01 4.141e-01 -7.217e-02 7.046e-03 / CHEB/ 6.159e-02 -4.466e-02 3.415e-02 3.515e-03 / CHEB/ -1.041e-01 3.644e-02 -2.552e-03 -1.158e-02 / CHEB/ -4.467e-02 2.862e-02 -4.793e-03 -2.351e-03 / CHEB/ -1.116e-02 6.906e-03 4.182e-03 -8.132e-04 /

4094.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-3.2	+0.8	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-3.3	+0.8	+2.8

Chebyshev(coeffs=[[-9.24294,-0.0907338,-0.0538101,-0.0249857],[18.2853,0.0575666,0.0361916,0.0176735],[-0.156006,0.0136877,0.00870488,0.0047178],[-0.0903025,-0.00264604,-0.00308446,-0.00189014],[-0.0300003,0.00340509,0.000577187,-0.000473931],[-0.011629,0.00266986,0.000844779,-8.53033e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 55.06
S298 (cal/mol*K) = 33.66
G298 (kcal/mol) = 45.03

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H8(417); H(25), C#C(354); C7H9(5)+H(25)(+M)=>C#C(354)+C5H8(417)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.243e+00 -9.073e-02 -5.381e-02 -2.499e-02 / CHEB/ 1.829e+01 5.757e-02 3.619e-02 1.767e-02 / CHEB/ -1.560e-01 1.369e-02 8.705e-03 4.718e-03 / CHEB/ -9.030e-02 -2.646e-03 -3.084e-03 -1.890e-03 / CHEB/ -3.000e-02 3.405e-03 5.772e-04 -4.739e-04 / CHEB/ -1.163e-02 2.670e-03 8.448e-04 -8.530e-05 /

4095.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.1	-8.0	-2.5	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-25.1	-8.0	-2.5	+0.2

Chebyshev(coeffs=[[-17.7694,-0.0569905,-0.0369217,-0.0184545],[24.2163,0.0359694,0.0234595,0.0118655],[-0.121987,0.0115358,0.00750224,0.00372788],[-0.0645614,-0.00204565,-0.00159544,-0.000968321],[-0.019265,0.00166714,0.000777933,0.00017652],[-0.00805389,0.000888067,0.000456578,0.000133374]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.39
S298 (cal/mol*K) = 3.81
G298 (kcal/mol) = 29.26

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(361); H(25), C7H10(361); C7H9(5)+H(25)(+M)=>C7H10(361)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.777e+01 -5.699e-02 -3.692e-02 -1.845e-02 / CHEB/ 2.422e+01 3.597e-02 2.346e-02 1.187e-02 / CHEB/ -1.220e-01 1.154e-02 7.502e-03 3.728e-03 / CHEB/ -6.456e-02 -2.046e-03 -1.595e-03 -9.683e-04 / CHEB/ -1.926e-02 1.667e-03 7.779e-04 1.765e-04 / CHEB/ -8.054e-03 8.881e-04 4.566e-04 1.334e-04 /

4096.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-2.2	+0.9	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-2.3	+0.9	+2.4

Chebyshev(coeffs=[[-5.12873,-0.265435,-0.0304492,-0.0389936],[13.5714,0.272429,-0.0222041,0.034522],[0.117111,-0.0699856,0.0546171,0.00226264],[-0.0882708,0.0228947,-0.0205382,-0.000832982],[-0.0229006,-0.00315807,-0.00126701,-0.000331906],[-0.0065372,0.00516957,0.00151324,-0.00241802]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.39
S298 (cal/mol*K) = 3.81
G298 (kcal/mol) = 29.26

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(360); H(25), C7H10(360); C7H9(5)+H(25)(+M)=>C7H10(360)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.129e+00 -2.654e-01 -3.045e-02 -3.899e-02 / CHEB/ 1.357e+01 2.724e-01 -2.220e-02 3.452e-02 / CHEB/ 1.171e-01 -6.999e-02 5.462e-02 2.263e-03 / CHEB/ -8.827e-02 2.289e-02 -2.054e-02 -8.330e-04 / CHEB/ -2.290e-02 -3.158e-03 -1.267e-03 -3.319e-04 / CHEB/ -6.537e-03 5.170e-03 1.513e-03 -2.418e-03 /

4097.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.6	+4.1	+4.3	+4.1
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+4.9	+5.2	+4.9

Chebyshev(coeffs=[[7.33986,0.785654,-0.198765,-0.0289064],[3.38501,1.02966,0.0572503,-0.0102633],[-0.248682,0.127721,0.106136,0.00386813],[-0.237749,-0.124594,0.0289205,0.0204723],[-0.120618,-0.0593557,-0.00787722,0.0119324],[-0.0778647,6.04971e-05,-0.00665781,0.000485935]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.14
S298 (cal/mol*K) = -8.54
G298 (kcal/mol) = -21.60

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(835); H(25), C7H10(835); C7H9(5)+H(25)(+M)=>C7H10(835)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.340e+00 7.857e-01 -1.988e-01 -2.891e-02 / CHEB/ 3.385e+00 1.030e+00 5.725e-02 -1.026e-02 / CHEB/ -2.487e-01 1.277e-01 1.061e-01 3.868e-03 / CHEB/ -2.377e-01 -1.246e-01 2.892e-02 2.047e-02 / CHEB/ -1.206e-01 -5.936e-02 -7.877e-03 1.193e-02 / CHEB/ -7.786e-02 6.050e-05 -6.658e-03 4.859e-04 /

4098.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-48.0	-17.9	-8.1	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-48.1	-17.9	-8.1	-3.3

Chebyshev(coeffs=[[-39.7445,-0.0206569,-0.0142157,-0.00774474],[42.8492,0.0123484,0.00844891,0.00455778],[-0.245247,0.0043214,0.00297064,0.00161536],[-0.0890078,-0.00144109,-0.000964678,-0.000500667],[-0.0284926,0.000516661,0.000350084,0.000185705],[-0.0126725,0.000177886,0.000119943,6.30707e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 131.92
S298 (cal/mol*K) = 42.26
G298 (kcal/mol) = 119.32

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H8(417); H(25), C2H2(359); C7H9(5)+H(25)(+M)=>C2H2(359)+C5H8(417)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.974e+01 -2.066e-02 -1.422e-02 -7.745e-03 / CHEB/ 4.285e+01 1.235e-02 8.449e-03 4.558e-03 / CHEB/ -2.452e-01 4.321e-03 2.971e-03 1.615e-03 / CHEB/ -8.901e-02 -1.441e-03 -9.647e-04 -5.007e-04 / CHEB/ -2.849e-02 5.167e-04 3.501e-04 1.857e-04 / CHEB/ -1.267e-02 1.779e-04 1.199e-04 6.307e-05 /

4117.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+2.3	+3.5	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+1.6	+3.2	+4.0

Chebyshev(coeffs=[[3.70945,-2.7283,-0.690304,-0.0554323],[6.23274,2.31927,0.34783,-0.0560296],[0.0545551,0.20363,0.141269,0.0146246],[-0.0655252,-0.0480167,0.0373054,0.0117],[0.00768436,-0.00675567,0.00570379,0.0116715],[0.00643225,0.0119532,0.00266213,0.00408996]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.19
S298 (cal/mol*K) = -0.83
G298 (kcal/mol) = 9.44

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(836); H(25), C7H11(836); C7H10(1)+H(25)(+M)=>C7H11(836)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.709e+00 -2.728e+00 -6.903e-01 -5.543e-02 / CHEB/ 6.233e+00 2.319e+00 3.478e-01 -5.603e-02 / CHEB/ 5.456e-02 2.036e-01 1.413e-01 1.462e-02 / CHEB/ -6.553e-02 -4.802e-02 3.731e-02 1.170e-02 / CHEB/ 7.684e-03 -6.756e-03 5.704e-03 1.167e-02 / CHEB/ 6.432e-03 1.195e-02 2.662e-03 4.090e-03 /

4118.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-0.9	+1.6	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-1.3	+1.4	+2.9

Chebyshev(coeffs=[[-2.02637,-1.52875,-0.628268,-0.121202],[10.5493,1.24756,0.405468,0.0208569],[0.24789,0.118101,0.10195,0.0287528],[0.0392209,-0.00671889,0.0106293,0.0135084],[0.0155925,0.00703461,0.00162257,0.0040458],[0.00171272,0.00652717,0.00472333,0.00204117]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.25
S298 (cal/mol*K) = 30.40
G298 (kcal/mol) = 16.19

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(683); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(683)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.026e+00 -1.529e+00 -6.283e-01 -1.212e-01 / CHEB/ 1.055e+01 1.248e+00 4.055e-01 2.086e-02 / CHEB/ 2.479e-01 1.181e-01 1.020e-01 2.875e-02 / CHEB/ 3.922e-02 -6.719e-03 1.063e-02 1.351e-02 / CHEB/ 1.559e-02 7.035e-03 1.623e-03 4.046e-03 / CHEB/ 1.713e-03 6.527e-03 4.723e-03 2.041e-03 /

4119.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.0	-8.5	-2.6	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-27.1	-8.6	-2.7	+0.1

Chebyshev(coeffs=[[-19.8187,-0.272772,-0.173796,-0.0823152],[26.3502,0.150075,0.0909373,0.0386286],[-0.241702,0.0202005,0.0150692,0.00917786],[-0.0878997,0.0259301,0.0152833,0.00612443],[-0.0430998,0.00923801,0.0061898,0.00319724],[-0.0261713,-5.88027e-05,0.000593858,0.000864834]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 84.83
S298 (cal/mol*K) = 55.18
G298 (kcal/mol) = 68.38

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H6(818); H(25), C3H5(597); C7H10(1)+H(25)(+M)=>C3H5(597)+C4H6(818)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.982e+01 -2.728e-01 -1.738e-01 -8.232e-02 / CHEB/ 2.635e+01 1.501e-01 9.094e-02 3.863e-02 / CHEB/ -2.417e-01 2.020e-02 1.507e-02 9.178e-03 / CHEB/ -8.790e-02 2.593e-02 1.528e-02 6.124e-03 / CHEB/ -4.310e-02 9.238e-03 6.190e-03 3.197e-03 / CHEB/ -2.617e-02 -5.880e-05 5.939e-04 8.648e-04 /

4120.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.6	-8.8	-3.6	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-24.8	-8.9	-3.6	-1.1

Chebyshev(coeffs=[[-17.5009,-0.414534,-0.250417,-0.10652],[22.4622,0.251337,0.139532,0.047835],[0.00206723,0.0337555,0.0268475,0.0171366],[-0.00764446,0.0301932,0.0167852,0.00598252],[-0.0121269,0.0122302,0.00749825,0.00322987],[-0.0143573,0.000609153,0.0014243,0.00157244]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.11
S298 (cal/mol*K) = 33.64
G298 (kcal/mol) = 60.09

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(837); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(837)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.750e+01 -4.145e-01 -2.504e-01 -1.065e-01 / CHEB/ 2.246e+01 2.513e-01 1.395e-01 4.783e-02 / CHEB/ 2.067e-03 3.376e-02 2.685e-02 1.714e-02 / CHEB/ -7.644e-03 3.019e-02 1.679e-02 5.983e-03 / CHEB/ -1.213e-02 1.223e-02 7.498e-03 3.230e-03 / CHEB/ -1.436e-02 6.092e-04 1.424e-03 1.572e-03 /

4121.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.6	-11.3	-4.7	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-31.7	-11.4	-4.8	-1.6

Chebyshev(coeffs=[[-24.0755,-0.242624,-0.156297,-0.0756124],[28.6545,0.1294,0.0798955,0.0353657],[-0.0590458,0.0179244,0.0130499,0.00771622],[-0.0368855,0.0245363,0.0147018,0.00610915],[-0.0274042,0.00832593,0.0056697,0.00301669],[-0.0207976,-0.000218539,0.000400733,0.000694059]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 90.52
S298 (cal/mol*K) = 44.21
G298 (kcal/mol) = 77.35

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(800); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(800)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.408e+01 -2.426e-01 -1.563e-01 -7.561e-02 / CHEB/ 2.865e+01 1.294e-01 7.990e-02 3.537e-02 / CHEB/ -5.905e-02 1.792e-02 1.305e-02 7.716e-03 / CHEB/ -3.689e-02 2.454e-02 1.470e-02 6.109e-03 / CHEB/ -2.740e-02 8.326e-03 5.670e-03 3.017e-03 / CHEB/ -2.080e-02 -2.185e-04 4.007e-04 6.941e-04 /

4122.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.9	-9.3	-2.9	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-29.0	-9.4	-3.0	+0.1

Chebyshev(coeffs=[[-21.5291,-0.250505,-0.160914,-0.0774221],[27.8402,0.134769,0.0828046,0.0362679],[-0.149088,0.0184939,0.0135548,0.00808311],[-0.0626476,0.0249222,0.0148672,0.00611824],[-0.0356104,0.00857424,0.00581483,0.00307103],[-0.0236502,-0.00017653,0.000451354,0.000738949]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.57
S298 (cal/mol*K) = 50.46
G298 (kcal/mol) = 73.54

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(838); H(25), CH3(425); C7H10(1)+H(25)(+M)=>CH3(425)+C6H8(838)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.153e+01 -2.505e-01 -1.609e-01 -7.742e-02 / CHEB/ 2.784e+01 1.348e-01 8.280e-02 3.627e-02 / CHEB/ -1.491e-01 1.849e-02 1.355e-02 8.083e-03 / CHEB/ -6.265e-02 2.492e-02 1.487e-02 6.118e-03 / CHEB/ -3.561e-02 8.574e-03 5.815e-03 3.071e-03 / CHEB/ -2.365e-02 -1.765e-04 4.514e-04 7.389e-04 /

4123.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.0	-13.7	-6.7	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-35.1	-13.8	-6.8	-3.4

Chebyshev(coeffs=[[-27.4091,-0.215207,-0.139997,-0.0689923],[30.1915,0.110991,0.0696903,0.0319629],[-0.0607925,0.0160418,0.0114034,0.00652742],[-0.0405887,0.0230683,0.0140428,0.00603987],[-0.0297257,0.00741117,0.00511597,0.00278841],[-0.0217221,-0.000364842,0.000224863,0.000537306]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 95.71
S298 (cal/mol*K) = 40.51
G298 (kcal/mol) = 83.64

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(839); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(839)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.741e+01 -2.152e-01 -1.400e-01 -6.899e-02 / CHEB/ 3.019e+01 1.110e-01 6.969e-02 3.196e-02 / CHEB/ -6.079e-02 1.604e-02 1.140e-02 6.527e-03 / CHEB/ -4.059e-02 2.307e-02 1.404e-02 6.040e-03 / CHEB/ -2.973e-02 7.411e-03 5.116e-03 2.788e-03 / CHEB/ -2.172e-02 -3.648e-04 2.249e-04 5.373e-04 /

4124.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.0	-13.7	-6.7	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-35.1	-13.8	-6.8	-3.4

H298 (kcal/mol) = 95.71
S298 (cal/mol*K) = 40.51
G298 (kcal/mol) = 83.64

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(840); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(840)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.741e+01 -2.152e-01 -1.400e-01 -6.899e-02 / CHEB/ 3.019e+01 1.110e-01 6.969e-02 3.196e-02 / CHEB/ -6.079e-02 1.604e-02 1.140e-02 6.527e-03 / CHEB/ -4.059e-02 2.307e-02 1.404e-02 6.040e-03 / CHEB/ -2.973e-02 7.411e-03 5.116e-03 2.788e-03 / CHEB/ -2.172e-02 -3.648e-04 2.249e-04 5.373e-04 /

4125.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+1.6	+2.5	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-3.9	+0.7	+2.1	+2.7

Chebyshev(coeffs=[[3.67673,-3.11798,-0.652067,-0.0400331],[5.11368,2.63724,0.276036,-0.0714178],[-0.0404588,0.265623,0.149711,0.0146999],[-0.0982636,-0.0445904,0.0441044,0.0072065],[0.0147736,-0.02014,0.0134155,0.0108294],[0.0141633,0.00715726,0.00337403,0.00603681]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.66
S298 (cal/mol*K) = -3.66
G298 (kcal/mol) = -13.57

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(841); H(25), C7H11(841); C7H10(1)+H(25)(+M)=>C7H11(841)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.677e+00 -3.118e+00 -6.521e-01 -4.003e-02 / CHEB/ 5.114e+00 2.637e+00 2.760e-01 -7.142e-02 / CHEB/ -4.046e-02 2.656e-01 1.497e-01 1.470e-02 / CHEB/ -9.826e-02 -4.459e-02 4.410e-02 7.206e-03 / CHEB/ 1.477e-02 -2.014e-02 1.342e-02 1.083e-02 / CHEB/ 1.416e-02 7.157e-03 3.374e-03 6.037e-03 /

4126.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.3	-13.0	-6.1	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-34.4	-13.1	-6.2	-2.9

Chebyshev(coeffs=[[-26.8292,-0.204338,-0.133434,-0.0662285],[30.2768,0.103786,0.0655959,0.0304948],[-0.19158,0.0153649,0.0108158,0.00610363],[-0.0803138,0.0224233,0.0137388,0.00599185],[-0.0433531,0.00702827,0.00487611,0.00268092],[-0.0265591,-0.000420893,0.000156688,0.000475769]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.12
S298 (cal/mol*K) = 47.90
G298 (kcal/mol) = 82.85

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(842); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(842)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.683e+01 -2.043e-01 -1.334e-01 -6.623e-02 / CHEB/ 3.028e+01 1.038e-01 6.560e-02 3.049e-02 / CHEB/ -1.916e-01 1.536e-02 1.082e-02 6.104e-03 / CHEB/ -8.031e-02 2.242e-02 1.374e-02 5.992e-03 / CHEB/ -4.335e-02 7.028e-03 4.876e-03 2.681e-03 / CHEB/ -2.656e-02 -4.209e-04 1.567e-04 4.758e-04 /

4127.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	-1.2	+1.1	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-8.5	-1.9	+0.9	+2.2

Chebyshev(coeffs=[[0.348089,-3.23826,-0.589042,0.00813971],[6.79386,3.02583,0.308277,-0.0794248],[0.903,0.311005,0.206218,-0.014934],[0.187583,-0.158228,-0.0365521,-0.0034935],[0.00980529,-0.126713,-0.0308993,0.0205186],[-0.00644465,-0.0121576,0.0249166,0.0256822]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.00
S298 (cal/mol*K) = 10.02
G298 (kcal/mol) = -12.98

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(625); H(25), C7H11(625); C7H10(1)+H(25)(+M)=>C7H11(625)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.481e-01 -3.238e+00 -5.890e-01 8.140e-03 / CHEB/ 6.794e+00 3.026e+00 3.083e-01 -7.942e-02 / CHEB/ 9.030e-01 3.110e-01 2.062e-01 -1.493e-02 / CHEB/ 1.876e-01 -1.582e-01 -3.655e-02 -3.494e-03 / CHEB/ 9.805e-03 -1.267e-01 -3.090e-02 2.052e-02 / CHEB/ -6.445e-03 -1.216e-02 2.492e-02 2.568e-02 /

4128.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-39.0	-16.3	-8.9	-5.2
log₁₀(k(10 bar)/[mole,m,s])	-39.1	-16.4	-8.9	-5.2

Chebyshev(coeffs=[[-31.2018,-0.18753,-0.123115,-0.0617171],[32.0201,0.0960279,0.0612532,0.029012],[0.0105057,0.0141825,0.00990744,0.00552799],[-0.0268438,0.0210288,0.0130116,0.00579434],[-0.0286814,0.00611816,0.00430525,0.00242194],[-0.0217142,-0.00071481,-7.69504e-05,0.000323401]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 101.11
S298 (cal/mol*K) = 32.82
G298 (kcal/mol) = 91.33

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(843); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(843)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.120e+01 -1.875e-01 -1.231e-01 -6.172e-02 / CHEB/ 3.202e+01 9.603e-02 6.125e-02 2.901e-02 / CHEB/ 1.051e-02 1.418e-02 9.907e-03 5.528e-03 / CHEB/ -2.684e-02 2.103e-02 1.301e-02 5.794e-03 / CHEB/ -2.868e-02 6.118e-03 4.305e-03 2.422e-03 / CHEB/ -2.171e-02 -7.148e-04 -7.695e-05 3.234e-04 /

4154.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.0	-2.7	+0.5	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-14.1	-2.8	+0.5	+1.8

Chebyshev(coeffs=[[-7.46018,-0.157543,-0.0937329,-0.0437157],[15.9944,0.123381,0.0788371,0.0380478],[-0.380737,0.00641919,0.00519586,0.00424234],[-0.21492,-0.0100387,-0.00843194,-0.00416494],[-0.0865563,0.00457256,0.000202001,-0.000833209],[-0.0353935,0.00522667,0.00163371,9.14822e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.89
S298 (cal/mol*K) = 29.31
G298 (kcal/mol) = 46.16

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H7(358); H(25), C3H3(844); C7H9(5)+H(25)(+M)=>C4H7(358)+C3H3(844)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.460e+00 -1.575e-01 -9.373e-02 -4.372e-02 / CHEB/ 1.599e+01 1.234e-01 7.884e-02 3.805e-02 / CHEB/ -3.807e-01 6.419e-03 5.196e-03 4.242e-03 / CHEB/ -2.149e-01 -1.004e-02 -8.432e-03 -4.165e-03 / CHEB/ -8.656e-02 4.573e-03 2.020e-04 -8.332e-04 / CHEB/ -3.539e-02 5.227e-03 1.634e-03 9.148e-05 /

4155.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.8	-5.9	-2.0	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-18.8	-6.0	-2.0	-0.2

Chebyshev(coeffs=[[-11.8713,-0.137573,-0.0831059,-0.0394938],[18.0691,0.104875,0.0677913,0.0337219],[-0.166612,0.00784103,0.0054372,0.00369482],[-0.146336,-0.00795276,-0.00690359,-0.00368144],[-0.0638148,0.00427419,0.000559834,-0.00058121],[-0.0280463,0.0044191,0.00153523,0.000146251]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.26
S298 (cal/mol*K) = 13.82
G298 (kcal/mol) = 55.14

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(845); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(845)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.187e+01 -1.376e-01 -8.311e-02 -3.949e-02 / CHEB/ 1.807e+01 1.049e-01 6.779e-02 3.372e-02 / CHEB/ -1.666e-01 7.841e-03 5.437e-03 3.695e-03 / CHEB/ -1.463e-01 -7.953e-03 -6.904e-03 -3.681e-03 / CHEB/ -6.381e-02 4.274e-03 5.598e-04 -5.812e-04 / CHEB/ -2.805e-02 4.419e-03 1.535e-03 1.463e-04 /

4156.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	-1.2	+1.9	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-1.3	+1.8	+3.2

Chebyshev(coeffs=[[-5.324,-0.188631,-0.109811,-0.0494442],[15.0733,0.153263,0.0957204,0.0435949],[-0.279218,0.00395857,0.00513305,0.00544494],[-0.194384,-0.0136786,-0.0107739,-0.00474874],[-0.0799406,0.00479937,-0.000444495,-0.00121229],[-0.0317773,0.00639154,0.00171538,2.0215e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.24
S298 (cal/mol*K) = 30.66
G298 (kcal/mol) = 41.11

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H5(846); H(25), C3H5(98); C7H9(5)+H(25)(+M)=>C3H5(98)+C4H5(846)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.324e+00 -1.886e-01 -1.098e-01 -4.944e-02 / CHEB/ 1.507e+01 1.533e-01 9.572e-02 4.359e-02 / CHEB/ -2.792e-01 3.959e-03 5.133e-03 5.445e-03 / CHEB/ -1.944e-01 -1.368e-02 -1.077e-02 -4.749e-03 / CHEB/ -7.994e-02 4.799e-03 -4.445e-04 -1.212e-03 / CHEB/ -3.178e-02 6.392e-03 1.715e-03 2.022e-05 /

4157.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.0	-8.1	-3.2	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-24.0	-8.1	-3.2	-0.9

Chebyshev(coeffs=[[-16.8794,-0.0833371,-0.0533474,-0.0265443],[22.4417,0.0585524,0.0386883,0.0200731],[-0.251678,0.0100435,0.00637128,0.00313444],[-0.158383,-0.00387345,-0.00319458,-0.00197571],[-0.0669856,0.00265706,0.0010319,0.000104129],[-0.0293144,0.00206332,0.00100104,0.000276998]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.31
S298 (cal/mol*K) = 23.32
G298 (kcal/mol) = 67.36

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(847); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(847)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.688e+01 -8.334e-02 -5.335e-02 -2.654e-02 / CHEB/ 2.244e+01 5.855e-02 3.869e-02 2.007e-02 / CHEB/ -2.517e-01 1.004e-02 6.371e-03 3.134e-03 / CHEB/ -1.584e-01 -3.873e-03 -3.195e-03 -1.976e-03 / CHEB/ -6.699e-02 2.657e-03 1.032e-03 1.041e-04 / CHEB/ -2.931e-02 2.063e-03 1.001e-03 2.770e-04 /

4158.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.7	-6.9	-2.2	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-22.7	-6.9	-2.2	-0.1

Chebyshev(coeffs=[[-15.7751,-0.0767332,-0.0495915,-0.0248695],[22.4458,0.0534182,0.0353878,0.0183744],[-0.452302,0.00998593,0.0063888,0.00313418],[-0.215977,-0.00358688,-0.00285734,-0.00174824],[-0.0856224,0.00237589,0.00101057,0.000169089],[-0.0355928,0.00178214,0.000905363,0.000277553]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.18
S298 (cal/mol*K) = 34.34
G298 (kcal/mol) = 65.95

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(848); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C2H3(100)+C5H7(848)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.578e+01 -7.673e-02 -4.959e-02 -2.487e-02 / CHEB/ 2.245e+01 5.342e-02 3.539e-02 1.837e-02 / CHEB/ -4.523e-01 9.986e-03 6.389e-03 3.134e-03 / CHEB/ -2.160e-01 -3.587e-03 -2.857e-03 -1.748e-03 / CHEB/ -8.562e-02 2.376e-03 1.011e-03 1.691e-04 / CHEB/ -3.559e-02 1.782e-03 9.054e-04 2.776e-04 /

4159.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.4	-5.8	-1.5	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-19.5	-5.8	-1.5	+0.5

Chebyshev(coeffs=[[-12.409,-0.122476,-0.0749733,-0.0360809],[19.2435,0.0916691,0.0596155,0.0301725],[-0.121043,0.00871018,0.00565707,0.00337894],[-0.131441,-0.00653918,-0.00575425,-0.00325527],[-0.0318968,0.00387573,0.000759604,-0.0003889],[-0.0191078,0.00376824,0.00144936,0.000209761]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.12
S298 (cal/mol*K) = 17.67
G298 (kcal/mol) = 55.85

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(849); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(849)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.241e+01 -1.225e-01 -7.497e-02 -3.608e-02 / CHEB/ 1.924e+01 9.167e-02 5.962e-02 3.017e-02 / CHEB/ -1.210e-01 8.710e-03 5.657e-03 3.379e-03 / CHEB/ -1.314e-01 -6.539e-03 -5.754e-03 -3.255e-03 / CHEB/ -3.190e-02 3.876e-03 7.596e-04 -3.889e-04 / CHEB/ -1.911e-02 3.768e-03 1.449e-03 2.098e-04 /

4160.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.6	-9.8	-4.2	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-27.6	-9.8	-4.2	-1.7

Chebyshev(coeffs=[[-20.28,-0.0667008,-0.0437715,-0.0222755],[25.0827,0.0458503,0.0305088,0.0158544],[-0.234493,0.00966613,0.00628887,0.00312588],[-0.149463,-0.00324576,-0.00242393,-0.00142185],[-0.0625648,0.00192942,0.000934789,0.000243703],[-0.0268185,0.00137642,0.000750146,0.00026553]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.56
S298 (cal/mol*K) = 20.69
G298 (kcal/mol) = 76.39

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(850); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(850)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.028e+01 -6.670e-02 -4.377e-02 -2.228e-02 / CHEB/ 2.508e+01 4.585e-02 3.051e-02 1.585e-02 / CHEB/ -2.345e-01 9.666e-03 6.289e-03 3.126e-03 / CHEB/ -1.495e-01 -3.246e-03 -2.424e-03 -1.422e-03 / CHEB/ -6.256e-02 1.929e-03 9.348e-04 2.437e-04 / CHEB/ -2.682e-02 1.376e-03 7.501e-04 2.655e-04 /

4161.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.4	-11.2	-5.5	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-29.4	-11.2	-5.5	-2.8

Chebyshev(coeffs=[[-22.0764,-0.0631381,-0.0416631,-0.0213329],[25.7307,0.0432234,0.0288118,0.0149827],[-0.24248,0.00947745,0.00620781,0.00311282],[-0.150816,-0.00314903,-0.00229515,-0.00131686],[-0.0624955,0.00176923,0.000895346,0.000261539],[-0.0265235,0.00124174,0.000693689,0.000257618]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 84.86
S298 (cal/mol*K) = 20.69
G298 (kcal/mol) = 78.69

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(851); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(851)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.208e+01 -6.314e-02 -4.166e-02 -2.133e-02 / CHEB/ 2.573e+01 4.322e-02 2.881e-02 1.498e-02 / CHEB/ -2.425e-01 9.477e-03 6.208e-03 3.113e-03 / CHEB/ -1.508e-01 -3.149e-03 -2.295e-03 -1.317e-03 / CHEB/ -6.250e-02 1.769e-03 8.953e-04 2.615e-04 / CHEB/ -2.652e-02 1.242e-03 6.937e-04 2.576e-04 /

4162.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.3	-10.6	-4.7	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-29.4	-10.6	-4.7	-2.0

Chebyshev(coeffs=[[-21.975,-0.0600672,-0.0398252,-0.0205076],[26.4436,0.0409811,0.0273622,0.0142423],[-0.226432,0.00927909,0.00611432,0.00309294],[-0.145142,-0.00307341,-0.00219473,-0.00123292],[-0.0601266,0.00163329,0.000857141,0.000273166],[-0.0253908,0.00112992,0.000644658,0.000249211]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 87.06
S298 (cal/mol*K) = 20.27
G298 (kcal/mol) = 81.02

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(852); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(852)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.198e+01 -6.007e-02 -3.983e-02 -2.051e-02 / CHEB/ 2.644e+01 4.098e-02 2.736e-02 1.424e-02 / CHEB/ -2.264e-01 9.279e-03 6.114e-03 3.093e-03 / CHEB/ -1.451e-01 -3.073e-03 -2.195e-03 -1.233e-03 / CHEB/ -6.013e-02 1.633e-03 8.571e-04 2.732e-04 / CHEB/ -2.539e-02 1.130e-03 6.447e-04 2.492e-04 /

4163.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	+1.1	+2.6	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-5.4	+1.0	+2.6	+3.0

Chebyshev(coeffs=[[1.21371,-0.590364,-0.236707,-0.0451892],[8.36044,0.579728,0.211845,0.0147256],[-0.0919099,-0.0272129,0.0330475,0.0322365],[-0.261323,-0.071257,-0.0279044,0.00236688],[-0.115931,-0.000903596,-0.0100014,-0.00509952],[-0.0311275,0.0150775,0.00100519,-0.00177368]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.37
S298 (cal/mol*K) = 3.76
G298 (kcal/mol) = 17.25

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(853); H(25), C7H10(853); C7H9(5)+H(25)(+M)=>C7H10(853)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.214e+00 -5.904e-01 -2.367e-01 -4.519e-02 / CHEB/ 8.360e+00 5.797e-01 2.118e-01 1.473e-02 / CHEB/ -9.191e-02 -2.721e-02 3.305e-02 3.224e-02 / CHEB/ -2.613e-01 -7.126e-02 -2.790e-02 2.367e-03 / CHEB/ -1.159e-01 -9.036e-04 -1.000e-02 -5.100e-03 / CHEB/ -3.113e-02 1.508e-02 1.005e-03 -1.774e-03 /

4164.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.1	-3.9	-0.8	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-14.3	-3.9	-0.8	+0.5

Chebyshev(coeffs=[[-7.51051,-0.220609,-0.125595,-0.0541598],[14.4349,0.185003,0.112289,0.0476745],[-0.169705,0.00131954,0.00548514,0.00706382],[-0.172192,-0.0177848,-0.013062,-0.00514123],[-0.0730726,0.00480432,-0.00116389,-0.00159365],[-0.0278943,0.00747742,0.00173819,-4.19179e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.05
S298 (cal/mol*K) = 1.47
G298 (kcal/mol) = 40.62

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(854); H(25), C7H10(854); C7H9(5)+H(25)(+M)=>C7H10(854)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.511e+00 -2.206e-01 -1.256e-01 -5.416e-02 / CHEB/ 1.443e+01 1.850e-01 1.123e-01 4.767e-02 / CHEB/ -1.697e-01 1.320e-03 5.485e-03 7.064e-03 / CHEB/ -1.722e-01 -1.778e-02 -1.306e-02 -5.141e-03 / CHEB/ -7.307e-02 4.804e-03 -1.164e-03 -1.594e-03 / CHEB/ -2.789e-02 7.477e-03 1.738e-03 -4.192e-05 /

4165.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.9	-5.4	-1.5	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-18.0	-5.4	-1.5	+0.2

Chebyshev(coeffs=[[-10.9997,-0.14634,-0.0879219,-0.0414607],[17.5718,0.115211,0.0736704,0.0359978],[-0.111697,0.00684665,0.00498121,0.00370725],[-0.148969,-0.00872508,-0.00750795,-0.0039371],[-0.0859654,0.00465935,0.000632683,-0.000611823],[-0.032125,0.00469411,0.00163799,0.000159424]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.05
S298 (cal/mol*K) = 1.01
G298 (kcal/mol) = 40.75

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(855); H(25), C7H10(855); C7H9(5)+H(25)(+M)=>C7H10(855)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.100e+01 -1.463e-01 -8.792e-02 -4.146e-02 / CHEB/ 1.757e+01 1.152e-01 7.367e-02 3.600e-02 / CHEB/ -1.117e-01 6.847e-03 4.981e-03 3.707e-03 / CHEB/ -1.490e-01 -8.725e-03 -7.508e-03 -3.937e-03 / CHEB/ -8.597e-02 4.659e-03 6.327e-04 -6.118e-04 / CHEB/ -3.213e-02 4.694e-03 1.638e-03 1.594e-04 /

4166.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-3.8	-1.1	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-3.8	-1.2	-0.1

Chebyshev(coeffs=[[-6.32561,-0.284572,-0.154477,-0.0600265],[12.7156,0.250536,0.142166,0.0510601],[-0.163716,-0.00392787,0.00728886,0.0111401],[-0.191008,-0.0266534,-0.0171418,-0.00532131],[-0.0810159,0.00435029,-0.00264127,-0.00235499],[-0.0277966,0.00936204,0.00168876,-0.000175121]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.40
S298 (cal/mol*K) = 2.72
G298 (kcal/mol) = 37.59

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(856); H(25), C7H10(856); C7H9(5)+H(25)(+M)=>C7H10(856)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.326e+00 -2.846e-01 -1.545e-01 -6.003e-02 / CHEB/ 1.272e+01 2.505e-01 1.422e-01 5.106e-02 / CHEB/ -1.637e-01 -3.928e-03 7.289e-03 1.114e-02 / CHEB/ -1.910e-01 -2.665e-02 -1.714e-02 -5.321e-03 / CHEB/ -8.102e-02 4.350e-03 -2.641e-03 -2.355e-03 / CHEB/ -2.780e-02 9.362e-03 1.689e-03 -1.751e-04 /

4167.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.7	-5.4	-3.0	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-14.0	-5.5	-3.1	-2.0

Chebyshev(coeffs=[[-7.23408,-0.365903,-0.185682,-0.0615047],[11.5563,0.3363,0.173136,0.0476747],[-0.0559452,-0.0103064,0.0113314,0.0171632],[-0.185159,-0.0385384,-0.0213556,-0.00446956],[-0.0821462,0.00325996,-0.0044948,-0.00331038],[-0.0249548,0.0113346,0.00155233,-0.000439857]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.00
S298 (cal/mol*K) = -8.50
G298 (kcal/mol) = 28.54

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(857); H(25), C7H10(857); C7H9(5)+H(25)(+M)=>C7H10(857)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.234e+00 -3.659e-01 -1.857e-01 -6.150e-02 / CHEB/ 1.156e+01 3.363e-01 1.731e-01 4.767e-02 / CHEB/ -5.595e-02 -1.031e-02 1.133e-02 1.716e-02 / CHEB/ -1.852e-01 -3.854e-02 -2.136e-02 -4.470e-03 / CHEB/ -8.215e-02 3.260e-03 -4.495e-03 -3.310e-03 / CHEB/ -2.495e-02 1.133e-02 1.552e-03 -4.399e-04 /

4168.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-4.4	-2.2	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-4.5	-2.3	-1.4

Chebyshev(coeffs=[[-5.64515,-0.40646,-0.198855,-0.0602679],[10.6725,0.379707,0.185462,0.043571],[-0.102012,-0.0133602,0.0140431,0.0202339],[-0.211243,-0.0445643,-0.0230814,-0.0036461],[-0.092476,0.00259611,-0.00541566,-0.00375517],[-0.0272158,0.0121836,0.00147298,-0.000624362]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.35
S298 (cal/mol*K) = -6.79
G298 (kcal/mol) = 25.38

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(858); H(25), C7H10(858); C7H9(5)+H(25)(+M)=>C7H10(858)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.645e+00 -4.065e-01 -1.989e-01 -6.027e-02 / CHEB/ 1.067e+01 3.797e-01 1.855e-01 4.357e-02 / CHEB/ -1.020e-01 -1.336e-02 1.404e-02 2.023e-02 / CHEB/ -2.112e-01 -4.456e-02 -2.308e-02 -3.646e-03 / CHEB/ -9.248e-02 2.596e-03 -5.416e-03 -3.755e-03 / CHEB/ -2.722e-02 1.218e-02 1.473e-03 -6.244e-04 /

4169.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.5	-8.7	-4.7	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-21.6	-8.7	-4.8	-3.0

Chebyshev(coeffs=[[-14.6467,-0.137502,-0.0830677,-0.0394782],[18.0646,0.104805,0.0677496,0.0337049],[-0.168582,0.00785099,0.00544128,0.00369448],[-0.146847,-0.00794812,-0.00689959,-0.00368004],[-0.064004,0.00427356,0.000561165,-0.000580283],[-0.0281075,0.0044161,0.00153465,0.000146351]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.30
S298 (cal/mol*K) = -1.62
G298 (kcal/mol) = 49.79

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(859); H(25), C7H10(859); C7H9(5)+H(25)(+M)=>C7H10(859)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.465e+01 -1.375e-01 -8.307e-02 -3.948e-02 / CHEB/ 1.806e+01 1.048e-01 6.775e-02 3.370e-02 / CHEB/ -1.686e-01 7.851e-03 5.441e-03 3.694e-03 / CHEB/ -1.468e-01 -7.948e-03 -6.900e-03 -3.680e-03 / CHEB/ -6.400e-02 4.274e-03 5.612e-04 -5.803e-04 / CHEB/ -2.811e-02 4.416e-03 1.535e-03 1.464e-04 /

4170.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.6	-4.6	-2.0	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-13.8	-4.7	-2.1	-1.0

Chebyshev(coeffs=[[-7.11741,-0.290757,-0.157072,-0.0603584],[12.5851,0.256969,0.144801,0.0510789],[-0.160892,-0.00441017,0.00753752,0.0115768],[-0.192123,-0.0275487,-0.0175024,-0.00529705],[-0.0816099,0.00428377,-0.00278386,-0.00242913],[-0.0277352,0.00952729,0.00168015,-0.000190715]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.87
S298 (cal/mol*K) = 0.33
G298 (kcal/mol) = 30.78

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(860); H(25), C7H10(860); C7H9(5)+H(25)(+M)=>C7H10(860)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.117e+00 -2.908e-01 -1.571e-01 -6.036e-02 / CHEB/ 1.259e+01 2.570e-01 1.448e-01 5.108e-02 / CHEB/ -1.609e-01 -4.410e-03 7.538e-03 1.158e-02 / CHEB/ -1.921e-01 -2.755e-02 -1.750e-02 -5.297e-03 / CHEB/ -8.161e-02 4.284e-03 -2.784e-03 -2.429e-03 / CHEB/ -2.774e-02 9.527e-03 1.680e-03 -1.907e-04 /

4171.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.9	-7.7	-4.0	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-20.0	-7.7	-4.0	-2.4

Chebyshev(coeffs=[[-13.0999,-0.149939,-0.08971,-0.0421539],[17.1598,0.116267,0.0746402,0.0364662],[-0.210825,0.00697509,0.00526725,0.00401061],[-0.162784,-0.00921461,-0.00784802,-0.00399044],[-0.0692821,0.00447571,0.000345956,-0.0007379],[-0.0295679,0.00492361,0.00160075,0.000111347]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.65
S298 (cal/mol*K) = 0.09
G298 (kcal/mol) = 46.63

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(861); H(25), C7H10(861); C7H9(5)+H(25)(+M)=>C7H10(861)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.310e+01 -1.499e-01 -8.971e-02 -4.215e-02 / CHEB/ 1.716e+01 1.163e-01 7.464e-02 3.647e-02 / CHEB/ -2.108e-01 6.975e-03 5.267e-03 4.011e-03 / CHEB/ -1.628e-01 -9.215e-03 -7.848e-03 -3.990e-03 / CHEB/ -6.928e-02 4.476e-03 3.460e-04 -7.379e-04 / CHEB/ -2.957e-02 4.924e-03 1.601e-03 1.113e-04 /

4172.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	+1.8	+4.7	+5.9
log₁₀(k(10 bar)/[mole,m,s])	-7.9	+1.8	+4.7	+5.9

Chebyshev(coeffs=[[-1.12847,-0.262387,-0.144931,-0.0585777],[13.4136,0.227011,0.132169,0.0505972],[-0.130998,-0.00142683,0.00683608,0.00968182],[-0.171558,-0.0238305,-0.0159298,-0.00534103],[-0.0747428,0.00452938,-0.00216316,-0.00210448],[-0.0264807,0.00880074,0.00172485,-0.000126392]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.68
S298 (cal/mol*K) = 14.27
G298 (kcal/mol) = 18.43

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(862); H(25), C7H10(862); C7H9(5)+H(25)(+M)=>C7H10(862)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.128e+00 -2.624e-01 -1.449e-01 -5.858e-02 / CHEB/ 1.341e+01 2.270e-01 1.322e-01 5.060e-02 / CHEB/ -1.310e-01 -1.427e-03 6.836e-03 9.682e-03 / CHEB/ -1.716e-01 -2.383e-02 -1.593e-02 -5.341e-03 / CHEB/ -7.474e-02 4.529e-03 -2.163e-03 -2.104e-03 / CHEB/ -2.648e-02 8.801e-03 1.725e-03 -1.264e-04 /

4173.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.6	-3.5	+1.1	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-3.5	+1.1	+3.0

Chebyshev(coeffs=[[-11.4944,-0.0975983,-0.0613404,-0.0301208],[21.0857,0.0705952,0.0463262,0.0238856],[-0.231677,0.00989516,0.00620192,0.00315352],[-0.204848,-0.00457184,-0.00398526,-0.00245203],[-0.107181,0.00325825,0.00104657,-4.60687e-05],[-0.0687211,0.0027396,0.00122691,0.00027969]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.31
S298 (cal/mol*K) = 13.41
G298 (kcal/mol) = 44.31

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(863); H(25), C7H10(863); C7H9(5)+H(25)(+M)=>C7H10(863)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.149e+01 -9.760e-02 -6.134e-02 -3.012e-02 / CHEB/ 2.109e+01 7.060e-02 4.633e-02 2.389e-02 / CHEB/ -2.317e-01 9.895e-03 6.202e-03 3.154e-03 / CHEB/ -2.048e-01 -4.572e-03 -3.985e-03 -2.452e-03 / CHEB/ -1.072e-01 3.258e-03 1.047e-03 -4.607e-05 / CHEB/ -6.872e-02 2.740e-03 1.227e-03 2.797e-04 /

4174.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.3	-7.8	-3.7	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-21.4	-7.8	-3.7	-1.8

Chebyshev(coeffs=[[-14.3887,-0.120771,-0.0740272,-0.0356701],[19.0367,0.0898234,0.058522,0.0297006],[-0.20142,0.00887184,0.0057414,0.00338356],[-0.152171,-0.00640618,-0.00564551,-0.00321008],[-0.0657395,0.00391024,0.000803071,-0.000363171],[-0.0290969,0.00370587,0.00141527,0.000195804]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 53.58
S298 (cal/mol*K) = -5.39
G298 (kcal/mol) = 55.19

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(864); H(25), C7H10(864); C7H9(5)+H(25)(+M)=>C7H10(864)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.439e+01 -1.208e-01 -7.403e-02 -3.567e-02 / CHEB/ 1.904e+01 8.982e-02 5.852e-02 2.970e-02 / CHEB/ -2.014e-01 8.872e-03 5.741e-03 3.384e-03 / CHEB/ -1.522e-01 -6.406e-03 -5.646e-03 -3.210e-03 / CHEB/ -6.574e-02 3.910e-03 8.031e-04 -3.632e-04 / CHEB/ -2.910e-02 3.706e-03 1.415e-03 1.958e-04 /

4175.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.2	-4.0	-0.4	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-15.5	-4.3	-0.6	+1.2

Chebyshev(coeffs=[[-8.47238,-0.461701,-0.266283,-0.109458],[15.6563,0.102736,0.0603843,0.030922],[0.0674075,0.0626126,0.027958,0.00435623],[-0.0147283,0.102587,0.0510977,0.0125068],[-0.0226975,0.0624264,0.0353855,0.0120042],[-0.023835,0.00946745,0.00835539,0.00516079]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.60
S298 (cal/mol*K) = 4.54
G298 (kcal/mol) = 42.25

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(531); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(531)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.472e+00 -4.617e-01 -2.663e-01 -1.095e-01 / CHEB/ 1.566e+01 1.027e-01 6.038e-02 3.092e-02 / CHEB/ 6.741e-02 6.261e-02 2.796e-02 4.356e-03 / CHEB/ -1.473e-02 1.026e-01 5.110e-02 1.251e-02 / CHEB/ -2.270e-02 6.243e-02 3.539e-02 1.200e-02 / CHEB/ -2.384e-02 9.467e-03 8.355e-03 5.161e-03 /

4176.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-2.2	+1.0	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-2.5	+0.8	+2.3

Chebyshev(coeffs=[[-6.27933,-0.470175,-0.270773,-0.110899],[14.8487,0.0892227,0.0533848,0.028821],[-0.17692,0.0633465,0.0281578,0.00441991],[-0.0791227,0.105434,0.0520607,0.0123632],[-0.0430093,0.0652287,0.0363427,0.0118069],[-0.0316098,0.011025,0.00902398,0.00518081]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.70
S298 (cal/mol*K) = 16.34
G298 (kcal/mol) = 41.83

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C6H8(532); H(25), CH3(425); C7H10(65)+H(25)(+M)=>C6H8(532)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.279e+00 -4.702e-01 -2.708e-01 -1.109e-01 / CHEB/ 1.485e+01 8.922e-02 5.338e-02 2.882e-02 / CHEB/ -1.769e-01 6.335e-02 2.816e-02 4.420e-03 / CHEB/ -7.912e-02 1.054e-01 5.206e-02 1.236e-02 / CHEB/ -4.301e-02 6.523e-02 3.634e-02 1.181e-02 / CHEB/ -3.161e-02 1.103e-02 9.024e-03 5.181e-03 /

4177.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.4	-6.0	-2.1	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-6.3	-2.3	-0.4

Chebyshev(coeffs=[[-11.6242,-0.394526,-0.230245,-0.0958387],[17.3468,0.0530321,0.0322687,0.0182724],[-0.0794026,0.0588121,0.0256708,0.00342053],[-0.0477118,0.0958272,0.0494007,0.013738],[-0.0303076,0.0582699,0.0342262,0.0126907],[-0.0247456,0.00980859,0.00827981,0.00497396]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 55.39
S298 (cal/mol*K) = 4.25
G298 (kcal/mol) = 54.13

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(533); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(533)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.162e+01 -3.945e-01 -2.302e-01 -9.584e-02 / CHEB/ 1.735e+01 5.303e-02 3.227e-02 1.827e-02 / CHEB/ -7.940e-02 5.881e-02 2.567e-02 3.421e-03 / CHEB/ -4.771e-02 9.583e-02 4.940e-02 1.374e-02 / CHEB/ -3.031e-02 5.827e-02 3.423e-02 1.269e-02 / CHEB/ -2.475e-02 9.809e-03 8.280e-03 4.974e-03 /

4178.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.8	-8.3	-3.5	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-24.0	-8.5	-3.6	-1.3

Chebyshev(coeffs=[[-16.7912,-0.268114,-0.160292,-0.0682073],[21.7877,0.0137656,0.00770237,0.00372423],[-0.155407,0.0477183,0.0203369,0.00161674],[-0.0785497,0.0709402,0.0396046,0.0140329],[-0.0385179,0.0414847,0.0273371,0.01309],[-0.0226388,0.00730286,0.00668236,0.00454129]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.44
S298 (cal/mol*K) = 12.38
G298 (kcal/mol) = 66.76

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(534); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(534)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.679e+01 -2.681e-01 -1.603e-01 -6.821e-02 / CHEB/ 2.179e+01 1.377e-02 7.702e-03 3.724e-03 / CHEB/ -1.554e-01 4.772e-02 2.034e-02 1.617e-03 / CHEB/ -7.855e-02 7.094e-02 3.960e-02 1.403e-02 / CHEB/ -3.852e-02 4.148e-02 2.734e-02 1.309e-02 / CHEB/ -2.264e-02 7.303e-03 6.682e-03 4.541e-03 /

4179.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.7	-8.3	-3.5	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-23.9	-8.5	-3.6	-1.3

Chebyshev(coeffs=[[-16.7453,-0.266315,-0.159283,-0.0678056],[21.7351,0.0127995,0.00713054,0.0034467],[-0.192527,0.0477907,0.0204067,0.00166447],[-0.0857816,0.0706515,0.0394791,0.0140231],[-0.0409521,0.0412477,0.0272169,0.0130671],[-0.0237883,0.00726757,0.00665771,0.00453137]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.44
S298 (cal/mol*K) = 12.84
G298 (kcal/mol) = 66.62

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(535); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(535)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.675e+01 -2.663e-01 -1.593e-01 -6.781e-02 / CHEB/ 2.174e+01 1.280e-02 7.131e-03 3.447e-03 / CHEB/ -1.925e-01 4.779e-02 2.041e-02 1.664e-03 / CHEB/ -8.578e-02 7.065e-02 3.948e-02 1.402e-02 / CHEB/ -4.095e-02 4.125e-02 2.722e-02 1.307e-02 / CHEB/ -2.379e-02 7.268e-03 6.658e-03 4.531e-03 /

4180.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.0	-11.0	-5.3	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-29.1	-11.2	-5.4	-2.7

Chebyshev(coeffs=[[-21.6749,-0.208606,-0.127064,-0.0555653],[25.2445,0.00421853,0.00160599,4.12115e-05],[-0.112307,0.0398423,0.0174777,0.00163823],[-0.0702064,0.0556211,0.0323707,0.0127127],[-0.0366939,0.0317821,0.022154,0.0118453],[-0.0201506,0.00597868,0.00560446,0.00402945]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.99
S298 (cal/mol*K) = 9.75
G298 (kcal/mol) = 78.09

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(536); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(536)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.167e+01 -2.086e-01 -1.271e-01 -5.557e-02 / CHEB/ 2.524e+01 4.219e-03 1.606e-03 4.121e-05 / CHEB/ -1.123e-01 3.984e-02 1.748e-02 1.638e-03 / CHEB/ -7.021e-02 5.562e-02 3.237e-02 1.271e-02 / CHEB/ -3.669e-02 3.178e-02 2.215e-02 1.185e-02 / CHEB/ -2.015e-02 5.979e-03 5.604e-03 4.029e-03 /

4181.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	+2.4	+4.2	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-3.9	+1.8	+3.9	+4.8

Chebyshev(coeffs=[[2.88372,-1.04667,-0.504016,-0.135623],[7.80097,0.492557,0.208738,0.0352523],[0.205514,0.0923149,0.0400602,0.00972655],[-0.00174811,0.120673,0.0477656,0.00465928],[-0.0353154,0.0852288,0.0395112,0.00774983],[-0.0410076,0.0174948,0.0141402,0.00654508]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.72
S298 (cal/mol*K) = -3.06
G298 (kcal/mol) = -4.80

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(537); H(25), C7H11(537); C7H10(65)+H(25)(+M)=>C7H11(537)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.884e+00 -1.047e+00 -5.040e-01 -1.356e-01 / CHEB/ 7.801e+00 4.926e-01 2.087e-01 3.525e-02 / CHEB/ 2.055e-01 9.231e-02 4.006e-02 9.727e-03 / CHEB/ -1.748e-03 1.207e-01 4.777e-02 4.659e-03 / CHEB/ -3.532e-02 8.523e-02 3.951e-02 7.750e-03 / CHEB/ -4.101e-02 1.749e-02 1.414e-02 6.545e-03 /

4182.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.3	+4.2	+5.2	+5.4
log₁₀(k(10 bar)/[mole,m,s])	+0.3	+3.5	+4.7	+5.3

Chebyshev(coeffs=[[7.28423,-1.59894,-0.586657,-0.0869803],[3.71292,0.932268,0.222933,-0.0295167],[0.332782,0.0960052,0.0611085,0.015282],[-0.0140011,0.122207,0.0419802,0.00477234],[-0.0345568,0.094534,0.0383606,0.00521438],[-0.0455866,0.0209196,0.0179983,0.0064487]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.85
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -5.65

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(538); H(25), C7H11(538); C7H10(65)+H(25)(+M)=>C7H11(538)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.284e+00 -1.599e+00 -5.867e-01 -8.698e-02 / CHEB/ 3.713e+00 9.323e-01 2.229e-01 -2.952e-02 / CHEB/ 3.328e-01 9.601e-02 6.111e-02 1.528e-02 / CHEB/ -1.400e-02 1.222e-01 4.198e-02 4.772e-03 / CHEB/ -3.456e-02 9.453e-02 3.836e-02 5.214e-03 / CHEB/ -4.559e-02 2.092e-02 1.800e-02 6.449e-03 /

4183.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.2	-10.4	-4.8	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-28.3	-10.5	-4.9	-2.3

Chebyshev(coeffs=[[-20.986,-0.201562,-0.123119,-0.0540949],[25.0899,0.00333237,0.00105992,-0.000255653],[-0.24689,0.0387713,0.0171185,0.00169714],[-0.1096,0.0537185,0.0314231,0.0124862],[-0.0499414,0.0306081,0.0214654,0.0116101],[-0.0247044,0.00582004,0.00545979,0.00394549]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.45
S298 (cal/mol*K) = 18.98
G298 (kcal/mol) = 75.80

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C6H9(539); H(25), CH2(137); C7H10(65)+H(25)(+M)=>CH2(137)+C6H9(539)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.099e+01 -2.016e-01 -1.231e-01 -5.409e-02 / CHEB/ 2.509e+01 3.332e-03 1.060e-03 -2.557e-04 / CHEB/ -2.469e-01 3.877e-02 1.712e-02 1.697e-03 / CHEB/ -1.096e-01 5.372e-02 3.142e-02 1.249e-02 / CHEB/ -4.994e-02 3.061e-02 2.147e-02 1.161e-02 / CHEB/ -2.470e-02 5.820e-03 5.460e-03 3.945e-03 /

4184.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.5	+0.9	+2.4	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+0.3	+2.1	+2.9

Chebyshev(coeffs=[[2.62263,-1.28163,-0.552397,-0.114732],[5.94163,0.699975,0.236807,0.00588164],[0.333916,0.0892453,0.046364,0.0147401],[0.00453458,0.117478,0.0445715,0.00465963],[-0.0351593,0.089201,0.0393341,0.00659517],[-0.0427108,0.0189369,0.0157813,0.0066848]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -48.20
S298 (cal/mol*K) = -22.72
G298 (kcal/mol) = -41.43

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(540); H(25), C7H11(540); C7H10(65)+H(25)(+M)=>C7H11(540)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.623e+00 -1.282e+00 -5.524e-01 -1.147e-01 / CHEB/ 5.942e+00 7.000e-01 2.368e-01 5.882e-03 / CHEB/ 3.339e-01 8.925e-02 4.636e-02 1.474e-02 / CHEB/ 4.535e-03 1.175e-01 4.457e-02 4.660e-03 / CHEB/ -3.516e-02 8.920e-02 3.933e-02 6.595e-03 / CHEB/ -4.271e-02 1.894e-02 1.578e-02 6.685e-03 /

4208.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.0	+4.5	+5.1	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+3.8	+4.8	+5.2

Chebyshev(coeffs=[[8.80248,-1.62728,-0.566795,-0.0753747],[1.96299,0.976283,0.176321,-0.0462935],[0.425539,0.335773,0.174765,0.0145531],[0.0654207,0.121641,0.0812872,0.0337698],[-0.0249745,0.0188017,0.0126157,0.0116436],[-0.0348834,-0.0125827,-0.00210374,0.000657244]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.80
S298 (cal/mol*K) = -6.97
G298 (kcal/mol) = -33.73

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(865); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(865)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.802e+00 -1.627e+00 -5.668e-01 -7.537e-02 / CHEB/ 1.963e+00 9.763e-01 1.763e-01 -4.629e-02 / CHEB/ 4.255e-01 3.358e-01 1.748e-01 1.455e-02 / CHEB/ 6.542e-02 1.216e-01 8.129e-02 3.377e-02 / CHEB/ -2.497e-02 1.880e-02 1.262e-02 1.164e-02 / CHEB/ -3.488e-02 -1.258e-02 -2.104e-03 6.572e-04 /

4209.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	+2.0	+3.0	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-1.7	+1.4	+2.8	+3.5

Chebyshev(coeffs=[[5.58097,-1.52789,-0.551542,-0.0817581],[3.13911,0.987985,0.195901,-0.0440383],[0.67251,0.29261,0.17878,0.0291481],[0.0917767,0.0971043,0.0722029,0.0364636],[-0.0231511,0.0144657,0.00746395,0.00873384],[-0.033359,-0.0128273,-0.00335959,-0.000457803]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -21.10
S298 (cal/mol*K) = -6.66
G298 (kcal/mol) = -19.12

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(866); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(866)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.581e+00 -1.528e+00 -5.515e-01 -8.176e-02 / CHEB/ 3.139e+00 9.880e-01 1.959e-01 -4.404e-02 / CHEB/ 6.725e-01 2.926e-01 1.788e-01 2.915e-02 / CHEB/ 9.178e-02 9.710e-02 7.220e-02 3.646e-02 / CHEB/ -2.315e-02 1.447e-02 7.464e-03 8.734e-03 / CHEB/ -3.336e-02 -1.283e-02 -3.360e-03 -4.578e-04 /

4210.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.3	+5.3	+5.5	+5.5
log₁₀(k(10 bar)/[mole,m,s])	+3.0	+4.5	+5.1	+5.3

Chebyshev(coeffs=[[9.87228,-1.69024,-0.579991,-0.073117],[1.27105,0.944393,0.158405,-0.0481187],[0.220223,0.359722,0.171813,0.00712633],[0.0217981,0.143504,0.0864826,0.0308483],[-0.0332881,0.0262891,0.0165041,0.0123352],[-0.037877,-0.0115964,-0.000818259,0.00128742]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -45.39
S298 (cal/mol*K) = 7.70
G298 (kcal/mol) = -47.69

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H4(550); H(25), C3H7(867); C7H10(18)+H(25)(+M)=>C4H4(550)+C3H7(867)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.872e+00 -1.690e+00 -5.800e-01 -7.312e-02 / CHEB/ 1.271e+00 9.444e-01 1.584e-01 -4.812e-02 / CHEB/ 2.202e-01 3.597e-01 1.718e-01 7.126e-03 / CHEB/ 2.180e-02 1.435e-01 8.648e-02 3.085e-02 / CHEB/ -3.329e-02 2.629e-02 1.650e-02 1.234e-02 / CHEB/ -3.788e-02 -1.160e-02 -8.183e-04 1.287e-03 /

4211.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.8	+4.1	+5.0	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+0.7	+3.6	+4.7	+5.3

Chebyshev(coeffs=[[7.85895,-1.49365,-0.544876,-0.0821868],[2.86903,0.983285,0.201942,-0.0420817],[0.553332,0.266291,0.17017,0.029406],[0.0406746,0.0904202,0.0672808,0.0352038],[-0.039276,0.0164846,0.00768747,0.00816541],[-0.0382584,-0.0105236,-0.00210564,-0.000122035]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.75
S298 (cal/mol*K) = 6.45
G298 (kcal/mol) = -15.67

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(868); H(25), CH3(425); C7H10(18)+H(25)(+M)=>CH3(425)+C6H8(868)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.859e+00 -1.494e+00 -5.449e-01 -8.219e-02 / CHEB/ 2.869e+00 9.833e-01 2.019e-01 -4.208e-02 / CHEB/ 5.533e-01 2.663e-01 1.702e-01 2.941e-02 / CHEB/ 4.067e-02 9.042e-02 6.728e-02 3.520e-02 / CHEB/ -3.928e-02 1.648e-02 7.687e-03 8.165e-03 / CHEB/ -3.826e-02 -1.052e-02 -2.106e-03 -1.220e-04 /

4212.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+2.8	+3.9	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+2.3	+3.7	+4.3

Chebyshev(coeffs=[[5.90198,-1.36432,-0.526771,-0.0893817],[3.88655,0.939546,0.221339,-0.0345442],[0.573651,0.216468,0.160167,0.0407206],[0.0218744,0.0781598,0.0561298,0.0327009],[-0.043631,0.0172646,0.0066343,0.00556353],[-0.0391446,-0.0101134,-0.00172634,7.98482e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.72
S298 (cal/mol*K) = 13.30
G298 (kcal/mol) = -5.68

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H4(553); H(25), C3H7(867); C7H10(18)+H(25)(+M)=>C4H4(553)+C3H7(867)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.902e+00 -1.364e+00 -5.268e-01 -8.938e-02 / CHEB/ 3.887e+00 9.395e-01 2.213e-01 -3.454e-02 / CHEB/ 5.737e-01 2.165e-01 1.602e-01 4.072e-02 / CHEB/ 2.187e-02 7.816e-02 5.613e-02 3.270e-02 / CHEB/ -4.363e-02 1.726e-02 6.634e-03 5.564e-03 / CHEB/ -3.914e-02 -1.011e-02 -1.726e-03 7.985e-05 /

4213.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.6	+0.8	+2.2	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+0.3	+2.0	+2.9

Chebyshev(coeffs=[[3.73372,-1.41545,-0.532741,-0.0861083],[4.28702,0.967058,0.215375,-0.0377953],[0.768848,0.233415,0.165126,0.0368808],[0.0932408,0.0803904,0.0598371,0.0342014],[-0.0131701,0.0159771,0.00631702,0.00642045],[-0.0290676,-0.0104468,-0.00200235,-0.000118626]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.99
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -3.52

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(869); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(869)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.734e+00 -1.415e+00 -5.327e-01 -8.611e-02 / CHEB/ 4.287e+00 9.671e-01 2.154e-01 -3.780e-02 / CHEB/ 7.688e-01 2.334e-01 1.651e-01 3.688e-02 / CHEB/ 9.324e-02 8.039e-02 5.984e-02 3.420e-02 / CHEB/ -1.317e-02 1.598e-02 6.317e-03 6.420e-03 / CHEB/ -2.907e-02 -1.045e-02 -2.002e-03 -1.186e-04 /

4214.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.8	-2.4	-0.0	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-2.8	-0.2	+1.1

Chebyshev(coeffs=[[-2.22352,-0.984087,-0.464592,-0.116427],[8.64394,0.671585,0.241741,0.00762361],[0.627125,0.15069,0.115287,0.0500091],[0.0985666,0.0688981,0.0420887,0.0218733],[-0.0182369,0.0188616,0.00932714,0.00364958],[-0.0301301,-0.0106755,-0.00261663,0.000831376]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.47
S298 (cal/mol*K) = 1.83
G298 (kcal/mol) = 18.92

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(870); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(870)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.224e+00 -9.841e-01 -4.646e-01 -1.164e-01 / CHEB/ 8.644e+00 6.716e-01 2.417e-01 7.624e-03 / CHEB/ 6.271e-01 1.507e-01 1.153e-01 5.001e-02 / CHEB/ 9.857e-02 6.890e-02 4.209e-02 2.187e-02 / CHEB/ -1.824e-02 1.886e-02 9.327e-03 3.650e-03 / CHEB/ -3.013e-02 -1.068e-02 -2.617e-03 8.314e-04 /

4215.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	-0.9	+0.9	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-1.4	+0.7	+1.8

Chebyshev(coeffs=[[0.856315,-1.2323,-0.512753,-0.100429],[6.13176,0.848971,0.234094,-0.0228383],[0.750204,0.195042,0.150202,0.0499362],[0.0873608,0.0756453,0.0505007,0.0292154],[-0.0230956,0.0179962,0.00720319,0.00407521],[-0.0320021,-0.0115408,-0.00254958,0.000179378]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.59
S298 (cal/mol*K) = -2.17
G298 (kcal/mol) = 8.24

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(871); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(871)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.563e-01 -1.232e+00 -5.128e-01 -1.004e-01 / CHEB/ 6.132e+00 8.490e-01 2.341e-01 -2.284e-02 / CHEB/ 7.502e-01 1.950e-01 1.502e-01 4.994e-02 / CHEB/ 8.736e-02 7.565e-02 5.050e-02 2.922e-02 / CHEB/ -2.310e-02 1.800e-02 7.203e-03 4.075e-03 / CHEB/ -3.200e-02 -1.154e-02 -2.550e-03 1.794e-04 /

4216.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.1	-3.3	-0.3	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-3.6	-0.4	+1.3

Chebyshev(coeffs=[[-4.26041,-0.851605,-0.425674,-0.120774],[10.6168,0.597666,0.240899,0.0241789],[0.772158,0.122375,0.0974636,0.0489452],[0.150984,0.061825,0.0370894,0.0186338],[0.00179691,0.0166635,0.00870837,0.0031756],[-0.0224061,-0.0115684,-0.00363326,0.000533272]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.42
S298 (cal/mol*K) = -1.89
G298 (kcal/mol) = 25.98

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(872); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(872)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.260e+00 -8.516e-01 -4.257e-01 -1.208e-01 / CHEB/ 1.062e+01 5.977e-01 2.409e-01 2.418e-02 / CHEB/ 7.722e-01 1.224e-01 9.746e-02 4.895e-02 / CHEB/ 1.510e-01 6.182e-02 3.709e-02 1.863e-02 / CHEB/ 1.797e-03 1.666e-02 8.708e-03 3.176e-03 / CHEB/ -2.241e-02 -1.157e-02 -3.633e-03 5.333e-04 /

4217.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.5	+5.3	+5.4	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+3.1	+4.5	+5.0	+5.2

Chebyshev(coeffs=[[9.98946,-1.70737,-0.583156,-0.0722907],[1.05505,0.936405,0.154151,-0.0482944],[0.164336,0.367216,0.171197,0.0051569],[0.00842552,0.149874,0.0878869,0.0300163],[-0.0378139,0.0281296,0.017509,0.0125392],[-0.0386854,-0.0116095,-0.000525524,0.00148229]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.63
S298 (cal/mol*K) = -39.15
G298 (kcal/mol) = -60.96

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(873); H(25), C7H11(873); C7H10(18)+H(25)(+M)=>C7H11(873)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.989e+00 -1.707e+00 -5.832e-01 -7.229e-02 / CHEB/ 1.055e+00 9.364e-01 1.542e-01 -4.829e-02 / CHEB/ 1.643e-01 3.672e-01 1.712e-01 5.157e-03 / CHEB/ 8.426e-03 1.499e-01 8.789e-02 3.002e-02 / CHEB/ -3.781e-02 2.813e-02 1.751e-02 1.254e-02 / CHEB/ -3.869e-02 -1.161e-02 -5.255e-04 1.482e-03 /

4218.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.7	-10.5	-5.2	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-26.8	-10.6	-5.2	-2.6

Chebyshev(coeffs=[[-19.4526,-0.216352,-0.14182,-0.070894],[22.8569,0.0902514,0.0576173,0.0273463],[0.0457785,0.043449,0.0288913,0.0148218],[0.00990066,0.0446669,0.0285125,0.013544],[-0.0165183,0.0132399,0.00881256,0.00452694],[-0.0193382,-0.00569461,-0.00324274,-0.00116578]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 63.44
S298 (cal/mol*K) = 12.32
G298 (kcal/mol) = 59.76

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H8(874); H(25), C2H3(100); C7H10(18)+H(25)(+M)=>C2H3(100)+C5H8(874)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.945e+01 -2.164e-01 -1.418e-01 -7.089e-02 / CHEB/ 2.286e+01 9.025e-02 5.762e-02 2.735e-02 / CHEB/ 4.578e-02 4.345e-02 2.889e-02 1.482e-02 / CHEB/ 9.901e-03 4.467e-02 2.851e-02 1.354e-02 / CHEB/ -1.652e-02 1.324e-02 8.813e-03 4.527e-03 / CHEB/ -1.934e-02 -5.695e-03 -3.243e-03 -1.166e-03 /

4219.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.4	+3.1	+3.8	+4.1
log₁₀(k(10 bar)/[mole,m,s])	+0.1	+2.4	+3.5	+4.0

Chebyshev(coeffs=[[7.25722,-1.60492,-0.562087,-0.0761362],[2.21132,0.985707,0.182501,-0.0454642],[0.495337,0.32641,0.175351,0.0172101],[0.0799516,0.114279,0.079154,0.0345986],[-0.0215475,0.0166177,0.011252,0.0112703],[-0.033535,-0.0127835,-0.00248213,0.000429345]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -81.81
S298 (cal/mol*K) = -31.26
G298 (kcal/mol) = -72.49

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(875); H(25), C7H11(875); C7H10(18)+H(25)(+M)=>C7H11(875)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.257e+00 -1.605e+00 -5.621e-01 -7.614e-02 / CHEB/ 2.211e+00 9.857e-01 1.825e-01 -4.546e-02 / CHEB/ 4.953e-01 3.264e-01 1.754e-01 1.721e-02 / CHEB/ 7.995e-02 1.143e-01 7.915e-02 3.460e-02 / CHEB/ -2.155e-02 1.662e-02 1.125e-02 1.127e-02 / CHEB/ -3.354e-02 -1.278e-02 -2.482e-03 4.293e-04 /

4220.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	-0.7	+0.6	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-4.5	-1.3	+0.3	+1.1

Chebyshev(coeffs=[[2.94347,-1.51364,-0.542835,-0.0790644],[3.26895,1.01366,0.20658,-0.0411283],[0.771214,0.285071,0.175243,0.0278968],[0.134712,0.0873157,0.0692889,0.0367227],[-0.00772283,0.010122,0.00611727,0.0091913],[-0.0274765,-0.0131664,-0.00359649,-0.000426048]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -81.63
S298 (cal/mol*K) = -30.38
G298 (kcal/mol) = -72.58

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(876); H(25), C7H11(876); C7H10(18)+H(25)(+M)=>C7H11(876)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.943e+00 -1.514e+00 -5.428e-01 -7.906e-02 / CHEB/ 3.269e+00 1.014e+00 2.066e-01 -4.113e-02 / CHEB/ 7.712e-01 2.851e-01 1.752e-01 2.790e-02 / CHEB/ 1.347e-01 8.732e-02 6.929e-02 3.672e-02 / CHEB/ -7.723e-03 1.012e-02 6.117e-03 9.191e-03 / CHEB/ -2.748e-02 -1.317e-02 -3.596e-03 -4.260e-04 /

4221.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.8	+5.1	+5.0	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+3.4	+4.3	+4.5	+4.5

Chebyshev(coeffs=[[10.1223,-1.76817,-0.595301,-0.069671],[0.486112,0.897706,0.136853,-0.048817],[-0.0255189,0.386513,0.166701,-0.00157636],[-0.0287958,0.173316,0.0916607,0.0263872],[-0.0391124,0.038462,0.0213128,0.012552],[-0.0384892,-0.00953836,0.00109082,0.0020204]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -84.99
S298 (cal/mol*K) = -33.00
G298 (kcal/mol) = -75.16

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(877); H(25), C7H11(877); C7H10(18)+H(25)(+M)=>C7H11(877)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.012e+01 -1.768e+00 -5.953e-01 -6.967e-02 / CHEB/ 4.861e-01 8.977e-01 1.369e-01 -4.882e-02 / CHEB/ -2.552e-02 3.865e-01 1.667e-01 -1.576e-03 / CHEB/ -2.880e-02 1.733e-01 9.166e-02 2.639e-02 / CHEB/ -3.911e-02 3.846e-02 2.131e-02 1.255e-02 / CHEB/ -3.849e-02 -9.538e-03 1.091e-03 2.020e-03 /

4222.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.1	+3.8	+3.8	+3.7
log₁₀(k(10 bar)/[mole,m,s])	+1.8	+3.0	+3.4	+3.5

Chebyshev(coeffs=[[8.59469,-1.7244,-0.586637,-0.0715998],[0.879524,0.9259,0.149238,-0.0485316],[0.113227,0.37278,0.170027,0.00324436],[0.00400135,0.156468,0.0890711,0.0290369],[-0.032915,0.0310943,0.018641,0.0125645],[-0.0376315,-0.0110266,-6.74873e-05,0.00163622]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -55.70
S298 (cal/mol*K) = -36.31
G298 (kcal/mol) = -44.88

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(878); H(25), C7H11(878); C7H10(18)+H(25)(+M)=>C7H11(878)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.595e+00 -1.724e+00 -5.866e-01 -7.160e-02 / CHEB/ 8.795e-01 9.259e-01 1.492e-01 -4.853e-02 / CHEB/ 1.132e-01 3.728e-01 1.700e-01 3.244e-03 / CHEB/ 4.001e-03 1.565e-01 8.907e-02 2.904e-02 / CHEB/ -3.291e-02 3.109e-02 1.864e-02 1.256e-02 / CHEB/ -3.763e-02 -1.103e-02 -6.749e-05 1.636e-03 /

4223.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-3.4	-0.5	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-11.9	-3.7	-0.6	+0.9

Chebyshev(coeffs=[[-4.76067,-0.767421,-0.402461,-0.126198],[11.1234,0.501966,0.218878,0.0324491],[0.459235,0.12033,0.0889051,0.0448951],[0.0876736,0.0683953,0.0399085,0.0176905],[-0.0157335,0.0190552,0.0105614,0.00395459],[-0.0290248,-0.0109717,-0.00358781,0.000638773]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.33
S298 (cal/mol*K) = 5.50
G298 (kcal/mol) = 19.69

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(879); H(25), CH2(T)(82); C7H10(18)+H(25)(+M)=>CH2(T)(82)+C6H9(879)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.761e+00 -7.674e-01 -4.025e-01 -1.262e-01 / CHEB/ 1.112e+01 5.020e-01 2.189e-01 3.245e-02 / CHEB/ 4.592e-01 1.203e-01 8.891e-02 4.490e-02 / CHEB/ 8.767e-02 6.840e-02 3.991e-02 1.769e-02 / CHEB/ -1.573e-02 1.906e-02 1.056e-02 3.955e-03 / CHEB/ -2.902e-02 -1.097e-02 -3.588e-03 6.388e-04 /

4224.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.4	+3.7	+3.7	+3.7
log₁₀(k(10 bar)/[mole,m,s])	+2.9	+3.4	+3.6	+3.6

Chebyshev(coeffs=[[9.07472,-0.688194,-0.373034,-0.122741],[0.459075,0.362863,0.181251,0.0447583],[0.117689,0.189062,0.0964605,0.0255402],[0.0259208,0.0845468,0.0449216,0.0140931],[-0.025997,-0.0133835,-0.000627834,0.00583323],[-0.0287891,-0.0296413,-0.0113008,0.000659392]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -63.06
S298 (cal/mol*K) = -58.42
G298 (kcal/mol) = -45.65

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(817); C2H4(72), C7H11(817); C5H7(210)+C2H4(72)(+M)=>C7H11(817)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.075e+00 -6.882e-01 -3.730e-01 -1.227e-01 / CHEB/ 4.591e-01 3.629e-01 1.813e-01 4.476e-02 / CHEB/ 1.177e-01 1.891e-01 9.646e-02 2.554e-02 / CHEB/ 2.592e-02 8.455e-02 4.492e-02 1.409e-02 / CHEB/ -2.600e-02 -1.338e-02 -6.278e-04 5.833e-03 / CHEB/ -2.879e-02 -2.964e-02 -1.130e-02 6.594e-04 /

4225.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.6	+2.5	+3.6	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+0.3	+2.3	+3.6	+4.3

Chebyshev(coeffs=[[7.11255,-0.450744,-0.259223,-0.0994067],[2.2708,0.267026,0.143179,0.0452422],[0.716814,0.101052,0.0568814,0.0204352],[0.174149,0.0553782,0.0327045,0.0131882],[0.00811711,-0.00722317,-4.94434e-05,0.00371498],[-0.0200907,-0.0194996,-0.0092351,-0.00164393]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.73
S298 (cal/mol*K) = -21.01
G298 (kcal/mol) = -14.47

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(238); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>C7H10(238)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.113e+00 -4.507e-01 -2.592e-01 -9.941e-02 / CHEB/ 2.271e+00 2.670e-01 1.432e-01 4.524e-02 / CHEB/ 7.168e-01 1.011e-01 5.688e-02 2.044e-02 / CHEB/ 1.741e-01 5.538e-02 3.270e-02 1.319e-02 / CHEB/ 8.117e-03 -7.223e-03 -4.944e-05 3.715e-03 / CHEB/ -2.009e-02 -1.950e-02 -9.235e-03 -1.644e-03 /

4226.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+0.8	+2.7	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-4.1	+0.7	+2.7	+3.7

Chebyshev(coeffs=[[2.91597,-0.422926,-0.252886,-0.104849],[6.03577,0.252731,0.143263,0.051817],[0.659813,0.112816,0.0670814,0.0272854],[0.136444,0.0435613,0.0266731,0.0116914],[-0.0201343,-0.0168893,-0.00714263,-0.00013859],[-0.0316621,-0.0214014,-0.0113049,-0.00324064]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.12
S298 (cal/mol*K) = -1.93
G298 (kcal/mol) = 13.70

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H6(818); C2H4(72), C3H5(98); C5H7(210)+C2H4(72)(+M)=>C3H5(98)+C4H6(818)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.916e+00 -4.229e-01 -2.529e-01 -1.048e-01 / CHEB/ 6.036e+00 2.527e-01 1.433e-01 5.182e-02 / CHEB/ 6.598e-01 1.128e-01 6.708e-02 2.729e-02 / CHEB/ 1.364e-01 4.356e-02 2.667e-02 1.169e-02 / CHEB/ -2.013e-02 -1.689e-02 -7.143e-03 -1.386e-04 / CHEB/ -3.166e-02 -2.140e-02 -1.130e-02 -3.241e-03 /

4227.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.1	-5.9	-2.4	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-15.2	-6.0	-2.5	-0.6

Chebyshev(coeffs=[[-8.05127,-0.254345,-0.163207,-0.078308],[12.7175,0.122648,0.077028,0.0353493],[0.528976,0.0823196,0.0514849,0.0234267],[0.166726,0.0377028,0.0236868,0.0108971],[0.0077279,-0.0110486,-0.00577036,-0.00152373],[-0.0223203,-0.0164143,-0.00954898,-0.00365556]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.20
S298 (cal/mol*K) = -10.57
G298 (kcal/mol) = 40.35

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(165); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.051e+00 -2.543e-01 -1.632e-01 -7.831e-02 / CHEB/ 1.272e+01 1.226e-01 7.703e-02 3.535e-02 / CHEB/ 5.290e-01 8.232e-02 5.148e-02 2.343e-02 / CHEB/ 1.667e-01 3.770e-02 2.369e-02 1.090e-02 / CHEB/ 7.728e-03 -1.105e-02 -5.770e-03 -1.524e-03 / CHEB/ -2.232e-02 -1.641e-02 -9.549e-03 -3.656e-03 /

4228.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.1	-4.8	-1.2	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-14.3	-4.9	-1.3	+0.6

Chebyshev(coeffs=[[-7.03903,-0.185026,-0.119038,-0.0574297],[12.9471,0.0776086,0.0482575,0.021689],[0.552601,0.0579089,0.0361469,0.0163798],[0.168716,0.0325151,0.0208609,0.0100163],[0.0136608,-0.00391113,-0.00136614,0.000421951],[-0.0175772,-0.0108957,-0.00630809,-0.00238434]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.60
S298 (cal/mol*K) = -9.92
G298 (kcal/mol) = 40.55

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(168); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(168)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.039e+00 -1.850e-01 -1.190e-01 -5.743e-02 / CHEB/ 1.295e+01 7.761e-02 4.826e-02 2.169e-02 / CHEB/ 5.526e-01 5.791e-02 3.615e-02 1.638e-02 / CHEB/ 1.687e-01 3.252e-02 2.086e-02 1.002e-02 / CHEB/ 1.366e-02 -3.911e-03 -1.366e-03 4.220e-04 / CHEB/ -1.758e-02 -1.090e-02 -6.308e-03 -2.384e-03 /

4229.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.7	-4.3	-0.9	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-13.9	-4.4	-0.9	+0.8

Chebyshev(coeffs=[[-6.82059,-0.22992,-0.148921,-0.0727531],[13.244,0.106116,0.0675326,0.0318406],[0.316231,0.0760957,0.0480498,0.0222996],[0.109966,0.0360747,0.0228341,0.0106616],[-0.00729261,-0.0098653,-0.00529845,-0.00156109],[-0.0269267,-0.0153674,-0.0090866,-0.00362507]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.02
S298 (cal/mol*K) = 1.32
G298 (kcal/mol) = 40.63

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(819); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C2H3(100)+C5H8(819)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.821e+00 -2.299e-01 -1.489e-01 -7.275e-02 / CHEB/ 1.324e+01 1.061e-01 6.753e-02 3.184e-02 / CHEB/ 3.162e-01 7.610e-02 4.805e-02 2.230e-02 / CHEB/ 1.100e-01 3.607e-02 2.283e-02 1.066e-02 / CHEB/ -7.293e-03 -9.865e-03 -5.298e-03 -1.561e-03 / CHEB/ -2.693e-02 -1.537e-02 -9.087e-03 -3.625e-03 /

4230.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.1	-8.4	-4.1	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-20.2	-8.5	-4.1	-1.9

Chebyshev(coeffs=[[-12.8864,-0.195271,-0.1281,-0.0641031],[16.37,0.0838856,0.0543448,0.0265397],[0.469264,0.0665814,0.0426338,0.0203508],[0.16109,0.0332181,0.0212803,0.0101736],[0.0151792,-0.00811768,-0.00453026,-0.00152151],[-0.0176778,-0.0136925,-0.00829088,-0.00350209]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.70
S298 (cal/mol*K) = -12.62
G298 (kcal/mol) = 53.46

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(173); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(173)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.289e+01 -1.953e-01 -1.281e-01 -6.410e-02 / CHEB/ 1.637e+01 8.389e-02 5.434e-02 2.654e-02 / CHEB/ 4.693e-01 6.658e-02 4.263e-02 2.035e-02 / CHEB/ 1.611e-01 3.322e-02 2.128e-02 1.017e-02 / CHEB/ 1.518e-02 -8.118e-03 -4.530e-03 -1.522e-03 / CHEB/ -1.768e-02 -1.369e-02 -8.291e-03 -3.502e-03 /

4231.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.0	-7.8	-3.3	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-20.1	-7.9	-3.4	-1.0

Chebyshev(coeffs=[[-12.7072,-0.186794,-0.122908,-0.0618507],[17.048,0.078667,0.051178,0.0251955],[0.471944,0.0641495,0.0412187,0.01981],[0.163056,0.032411,0.0208289,0.0100191],[0.0171726,-0.00768396,-0.0043275,-0.00149531],[-0.0165878,-0.0132478,-0.00806897,-0.00345506]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 51.90
S298 (cal/mol*K) = -13.04
G298 (kcal/mol) = 55.78

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(178); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(178)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.271e+01 -1.868e-01 -1.229e-01 -6.185e-02 / CHEB/ 1.705e+01 7.867e-02 5.118e-02 2.520e-02 / CHEB/ 4.719e-01 6.415e-02 4.122e-02 1.981e-02 / CHEB/ 1.631e-01 3.241e-02 2.083e-02 1.002e-02 / CHEB/ 1.717e-02 -7.684e-03 -4.327e-03 -1.495e-03 / CHEB/ -1.659e-02 -1.325e-02 -8.069e-03 -3.455e-03 /

4232.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+2.8	+2.9	+2.8
log₁₀(k(10 bar)/[mole,m,s])	+1.9	+2.5	+2.7	+2.8

Chebyshev(coeffs=[[8.16144,-0.686294,-0.372184,-0.122614],[0.507706,0.363681,0.181724,0.0449373],[0.133374,0.188179,0.0961896,0.02563],[0.0294438,0.083666,0.044572,0.0140894],[-0.0258877,-0.0137244,-0.00082811,0.00575991],[-0.0290598,-0.0296279,-0.0113628,0.00058456]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.13
S298 (cal/mol*K) = -59.01
G298 (kcal/mol) = -51.55

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(544); C2H4(72), C7H11(544); C5H7(210)+C2H4(72)(+M)=>C7H11(544)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.161e+00 -6.863e-01 -3.722e-01 -1.226e-01 / CHEB/ 5.077e-01 3.637e-01 1.817e-01 4.494e-02 / CHEB/ 1.334e-01 1.882e-01 9.619e-02 2.563e-02 / CHEB/ 2.944e-02 8.367e-02 4.457e-02 1.409e-02 / CHEB/ -2.589e-02 -1.372e-02 -8.281e-04 5.760e-03 / CHEB/ -2.906e-02 -2.963e-02 -1.136e-02 5.846e-04 /

4233.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.8	+3.9	+4.5	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+2.3	+3.6	+4.4	+4.8

Chebyshev(coeffs=[[8.86157,-0.649662,-0.355463,-0.119812],[1.4326,0.378429,0.190792,0.0488182],[0.460492,0.171862,0.0912665,0.0274637],[0.114956,0.0686094,0.0385376,0.0140118],[-0.010185,-0.0188735,-0.00410128,0.00438061],[-0.0269855,-0.0290254,-0.0123194,-0.000767638]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -62.10
S298 (cal/mol*K) = -34.03
G298 (kcal/mol) = -51.96

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(357); C2H4(72), C7H11(357); C5H7(210)+C2H4(72)(+M)=>C7H11(357)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.862e+00 -6.497e-01 -3.555e-01 -1.198e-01 / CHEB/ 1.433e+00 3.784e-01 1.908e-01 4.882e-02 / CHEB/ 4.605e-01 1.719e-01 9.127e-02 2.746e-02 / CHEB/ 1.150e-01 6.861e-02 3.854e-02 1.401e-02 / CHEB/ -1.019e-02 -1.887e-02 -4.101e-03 4.381e-03 / CHEB/ -2.699e-02 -2.903e-02 -1.232e-02 -7.676e-04 /

4234.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+1.4	+2.4	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-0.9	+1.1	+2.3	+3.0

Chebyshev(coeffs=[[6.11137,-0.855263,-0.410028,-0.104987],[1.97742,0.653821,0.27872,0.0407026],[0.748058,0.149377,0.0776754,0.0252388],[0.209691,0.0342879,0.023902,0.0117751],[-0.000514892,-0.0306869,-0.005038,0.00639491],[-0.0315583,-0.0259718,-0.0107048,-0.000732426]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -56.01
S298 (cal/mol*K) = -43.12
G298 (kcal/mol) = -43.16

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(447); C2H4(72), C7H11(447); C5H7(210)+C2H4(72)(+M)=>C7H11(447)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.111e+00 -8.553e-01 -4.100e-01 -1.050e-01 / CHEB/ 1.977e+00 6.538e-01 2.787e-01 4.070e-02 / CHEB/ 7.481e-01 1.494e-01 7.768e-02 2.524e-02 / CHEB/ 2.097e-01 3.429e-02 2.390e-02 1.178e-02 / CHEB/ -5.149e-04 -3.069e-02 -5.038e-03 6.395e-03 / CHEB/ -3.156e-02 -2.597e-02 -1.070e-02 -7.324e-04 /

4235.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.8	-10.9	-6.1	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-24.0	-11.0	-6.2	-3.7

Chebyshev(coeffs=[[-16.4794,-0.172102,-0.113796,-0.0577832],[18.1194,0.0722927,0.0473199,0.0235695],[0.504094,0.0593213,0.0383787,0.0186943],[0.167794,0.0302227,0.0195547,0.00953066],[0.0185497,-0.00721321,-0.0041429,-0.00151775],[-0.0153919,-0.0123941,-0.00763912,-0.00336007]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 55.10
S298 (cal/mol*K) = -20.32
G298 (kcal/mol) = 61.15

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(820); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(820)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.648e+01 -1.721e-01 -1.138e-01 -5.778e-02 / CHEB/ 1.812e+01 7.229e-02 4.732e-02 2.357e-02 / CHEB/ 5.041e-01 5.932e-02 3.838e-02 1.869e-02 / CHEB/ 1.678e-01 3.022e-02 1.955e-02 9.531e-03 / CHEB/ 1.855e-02 -7.213e-03 -4.143e-03 -1.518e-03 / CHEB/ -1.539e-02 -1.239e-02 -7.639e-03 -3.360e-03 /

4236.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	-1.1	+0.6	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-4.7	-1.5	+0.4	+1.6

Chebyshev(coeffs=[[2.64684,-1.02741,-0.503089,-0.13854],[3.54946,0.645573,0.29011,0.0597639],[1.05921,0.228331,0.113541,0.0331067],[0.284315,0.114916,0.0567681,0.0135392],[0.034122,-0.0108727,0.0019385,0.00565004],[-0.0194391,-0.0373237,-0.0153177,-0.00122309]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.53
S298 (cal/mol*K) = -22.84
G298 (kcal/mol) = -6.72

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(620); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(620)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.647e+00 -1.027e+00 -5.031e-01 -1.385e-01 / CHEB/ 3.549e+00 6.456e-01 2.901e-01 5.976e-02 / CHEB/ 1.059e+00 2.283e-01 1.135e-01 3.311e-02 / CHEB/ 2.843e-01 1.149e-01 5.677e-02 1.354e-02 / CHEB/ 3.412e-02 -1.087e-02 1.939e-03 5.650e-03 / CHEB/ -1.944e-02 -3.732e-02 -1.532e-02 -1.223e-03 /

4237.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	-0.4	+0.9	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-3.2	-0.9	+0.7	+1.6

Chebyshev(coeffs=[[3.90168,-1.0738,-0.522856,-0.140876],[2.54761,0.646903,0.289702,0.0574412],[0.876764,0.248195,0.121202,0.0338576],[0.271434,0.125656,0.0601233,0.0136818],[0.0352877,-0.00833671,0.00313696,0.00589661],[-0.0201404,-0.0382548,-0.0151654,-0.000898774]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.80
S298 (cal/mol*K) = -45.86
G298 (kcal/mol) = -37.14

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(621); C2H4(72), C7H11(621); C5H7(210)+C2H4(72)(+M)=>C7H11(621)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.902e+00 -1.074e+00 -5.229e-01 -1.409e-01 / CHEB/ 2.548e+00 6.469e-01 2.897e-01 5.744e-02 / CHEB/ 8.768e-01 2.482e-01 1.212e-01 3.386e-02 / CHEB/ 2.714e-01 1.257e-01 6.012e-02 1.368e-02 / CHEB/ 3.529e-02 -8.337e-03 3.137e-03 5.897e-03 / CHEB/ -2.014e-02 -3.825e-02 -1.517e-02 -8.988e-04 /

4238.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	-2.1	-0.6	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-5.3	-2.5	-0.7	+0.3

Chebyshev(coeffs=[[1.87957,-1.04205,-0.509476,-0.139483],[3.19999,0.643001,0.288521,0.0586979],[0.967662,0.233059,0.115152,0.0331058],[0.269229,0.118505,0.0578532,0.0135157],[0.0359956,-0.00946573,0.0025346,0.0057185],[-0.0195394,-0.0372055,-0.0151181,-0.00112098]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.80
S298 (cal/mol*K) = -45.86
G298 (kcal/mol) = -37.14

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(622); C2H4(72), C7H11(622); C5H7(210)+C2H4(72)(+M)=>C7H11(622)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.880e+00 -1.042e+00 -5.095e-01 -1.395e-01 / CHEB/ 3.200e+00 6.430e-01 2.885e-01 5.870e-02 / CHEB/ 9.677e-01 2.331e-01 1.152e-01 3.311e-02 / CHEB/ 2.692e-01 1.185e-01 5.785e-02 1.352e-02 / CHEB/ 3.600e-02 -9.466e-03 2.535e-03 5.718e-03 / CHEB/ -1.954e-02 -3.721e-02 -1.512e-02 -1.121e-03 /

4239.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.6	+1.1	+1.6	+1.9
log₁₀(k(10 bar)/[mole,m,s])	-0.3	+0.6	+1.4	+1.8

Chebyshev(coeffs=[[6.29533,-1.14574,-0.554267,-0.145695],[0.956402,0.616558,0.274465,0.0513948],[0.396276,0.273139,0.130162,0.0335398],[0.170427,0.150075,0.0687279,0.0143686],[0.0216917,0.00146192,0.00707741,0.00684815],[-0.0233173,-0.0378197,-0.0144766,-0.000111594]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -76.40
S298 (cal/mol*K) = -51.36
G298 (kcal/mol) = -61.10

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(623); C2H4(72), C7H11(623); C5H7(210)+C2H4(72)(+M)=>C7H11(623)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.295e+00 -1.146e+00 -5.543e-01 -1.457e-01 / CHEB/ 9.564e-01 6.166e-01 2.745e-01 5.139e-02 / CHEB/ 3.963e-01 2.731e-01 1.302e-01 3.354e-02 / CHEB/ 1.704e-01 1.501e-01 6.873e-02 1.437e-02 / CHEB/ 2.169e-02 1.462e-03 7.077e-03 6.848e-03 / CHEB/ -2.332e-02 -3.782e-02 -1.448e-02 -1.116e-04 /

4240.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.5	+1.1	+1.6	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-0.4	+0.6	+1.4	+1.9

Chebyshev(coeffs=[[6.24151,-1.14285,-0.552999,-0.145488],[1.03001,0.618297,0.275304,0.0516727],[0.411556,0.272343,0.129886,0.0335757],[0.177251,0.14891,0.0682897,0.0143229],[0.0267087,0.000822551,0.00681174,0.00678003],[-0.0218135,-0.0379217,-0.0145369,-0.000163176]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -63.30
S298 (cal/mol*K) = -42.43
G298 (kcal/mol) = -50.66

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(624); C2H4(72), C7H11(624); C5H7(210)+C2H4(72)(+M)=>C7H11(624)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.242e+00 -1.143e+00 -5.530e-01 -1.455e-01 / CHEB/ 1.030e+00 6.183e-01 2.753e-01 5.167e-02 / CHEB/ 4.116e-01 2.723e-01 1.299e-01 3.358e-02 / CHEB/ 1.773e-01 1.489e-01 6.829e-02 1.432e-02 / CHEB/ 2.671e-02 8.226e-04 6.812e-03 6.780e-03 / CHEB/ -2.181e-02 -3.792e-02 -1.454e-02 -1.632e-04 /

4241.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.1	+1.5	+2.5	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-0.5	+1.3	+2.4	+3.0

Chebyshev(coeffs=[[6.18661,-0.703423,-0.355552,-0.104837],[2.04738,0.576882,0.248657,0.036553],[0.596647,0.0252175,0.0349384,0.0281811],[0.138024,0.0108048,0.0106692,0.00795588],[0.0140523,0.00977575,0.00647162,0.00261284],[-0.00992064,0.00189397,0.00172385,0.0013233]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -58.70
S298 (cal/mol*K) = -43.95
G298 (kcal/mol) = -45.61

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(625); C2H4(72), C7H11(625); C5H7(210)+C2H4(72)(+M)=>C7H11(625)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.187e+00 -7.034e-01 -3.556e-01 -1.048e-01 / CHEB/ 2.047e+00 5.769e-01 2.487e-01 3.655e-02 / CHEB/ 5.966e-01 2.522e-02 3.494e-02 2.818e-02 / CHEB/ 1.380e-01 1.080e-02 1.067e-02 7.956e-03 / CHEB/ 1.405e-02 9.776e-03 6.472e-03 2.613e-03 / CHEB/ -9.921e-03 1.894e-03 1.724e-03 1.323e-03 /

4242.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.3	-3.7	-1.0	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-4.0	-1.1	+0.4

Chebyshev(coeffs=[[-3.62382,-0.687058,-0.359765,-0.120761],[9.15621,0.411999,0.194166,0.0552705],[0.657814,0.178329,0.0985519,0.0298049],[0.218174,0.0848195,0.0483974,0.0170198],[0.0155445,-0.0136191,-0.00377549,0.00287194],[-0.0245338,-0.0295773,-0.0143489,-0.00321381]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.36
S298 (cal/mol*K) = -3.90
G298 (kcal/mol) = 25.52

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(626); C2H4(72), CH3(425); C5H7(210)+C2H4(72)(+M)=>C6H8(626)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.624e+00 -6.871e-01 -3.598e-01 -1.208e-01 / CHEB/ 9.156e+00 4.120e-01 1.942e-01 5.527e-02 / CHEB/ 6.578e-01 1.783e-01 9.855e-02 2.980e-02 / CHEB/ 2.182e-01 8.482e-02 4.840e-02 1.702e-02 / CHEB/ 1.554e-02 -1.362e-02 -3.775e-03 2.872e-03 / CHEB/ -2.453e-02 -2.958e-02 -1.435e-02 -3.214e-03 /

4243.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-6.5	-3.4	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-14.1	-6.7	-3.5	-1.8

Chebyshev(coeffs=[[-6.68623,-0.692789,-0.362161,-0.121195],[9.7934,0.416094,0.195795,0.0555601],[0.831604,0.179267,0.0988342,0.02976],[0.268094,0.0852578,0.0485835,0.0169738],[0.0316652,-0.0136592,-0.00371543,0.00294781],[-0.0189034,-0.0297317,-0.0143908,-0.00318133]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.90
S298 (cal/mol*K) = -15.39
G298 (kcal/mol) = 29.48

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(627); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(627)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.686e+00 -6.928e-01 -3.622e-01 -1.212e-01 / CHEB/ 9.793e+00 4.161e-01 1.958e-01 5.556e-02 / CHEB/ 8.316e-01 1.793e-01 9.883e-02 2.976e-02 / CHEB/ 2.681e-01 8.526e-02 4.858e-02 1.697e-02 / CHEB/ 3.167e-02 -1.366e-02 -3.715e-03 2.948e-03 / CHEB/ -1.890e-02 -2.973e-02 -1.439e-02 -3.181e-03 /

4244.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-4.0	-0.7	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-4.2	-0.8	+1.1

Chebyshev(coeffs=[[-4.81595,-0.655312,-0.346503,-0.118299],[10.8008,0.389476,0.185305,0.0536028],[0.835064,0.172883,0.0968089,0.0300885],[0.276662,0.0823476,0.0473219,0.0172449],[0.0373013,-0.0133235,-0.00406334,0.00243208],[-0.0165339,-0.0286883,-0.0141007,-0.00338583]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.01
S298 (cal/mol*K) = -0.22
G298 (kcal/mol) = 29.08

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H7(628); C2H4(72), C3H4(73); C5H7(210)+C2H4(72)(+M)=>C3H4(73)+C4H7(628)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.816e+00 -6.553e-01 -3.465e-01 -1.183e-01 / CHEB/ 1.080e+01 3.895e-01 1.853e-01 5.360e-02 / CHEB/ 8.351e-01 1.729e-01 9.681e-02 3.009e-02 / CHEB/ 2.767e-01 8.235e-02 4.732e-02 1.724e-02 / CHEB/ 3.730e-02 -1.332e-02 -4.063e-03 2.432e-03 / CHEB/ -1.653e-02 -2.869e-02 -1.410e-02 -3.386e-03 /

4245.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-4.9	-2.4	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-5.3	-2.6	-1.0

Chebyshev(coeffs=[[-3.23913,-0.85419,-0.430332,-0.131727],[6.84225,0.53388,0.244574,0.0613967],[1.05009,0.200188,0.103777,0.0296263],[0.28515,0.0974119,0.0527776,0.0152918],[0.0304495,-0.0131119,-0.00109308,0.00465039],[-0.0193617,-0.0334446,-0.0151902,-0.00223771]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.80
S298 (cal/mol*K) = -24.32
G298 (kcal/mol) = 19.04

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(629); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(629)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.239e+00 -8.542e-01 -4.303e-01 -1.317e-01 / CHEB/ 6.842e+00 5.339e-01 2.446e-01 6.140e-02 / CHEB/ 1.050e+00 2.002e-01 1.038e-01 2.963e-02 / CHEB/ 2.851e-01 9.741e-02 5.278e-02 1.529e-02 / CHEB/ 3.045e-02 -1.311e-02 -1.093e-03 4.650e-03 / CHEB/ -1.936e-02 -3.344e-02 -1.519e-02 -2.238e-03 /

4246.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.6	-7.8	-4.2	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-17.1	-8.0	-4.3	-2.3

Chebyshev(coeffs=[[-9.66651,-0.585237,-0.317117,-0.112529],[12.3645,0.340685,0.16652,0.049657],[0.752963,0.159505,0.091896,0.0308663],[0.2633,0.0765689,0.0446937,0.017498],[0.0385885,-0.0122388,-0.00443938,0.00137064],[-0.0149619,-0.0265304,-0.0134488,-0.00368712]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.40
S298 (cal/mol*K) = -16.12
G298 (kcal/mol) = 39.20

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(630); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(630)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.667e+00 -5.852e-01 -3.171e-01 -1.125e-01 / CHEB/ 1.236e+01 3.407e-01 1.665e-01 4.966e-02 / CHEB/ 7.530e-01 1.595e-01 9.190e-02 3.087e-02 / CHEB/ 2.633e-01 7.657e-02 4.469e-02 1.750e-02 / CHEB/ 3.859e-02 -1.224e-02 -4.439e-03 1.371e-03 / CHEB/ -1.496e-02 -2.653e-02 -1.345e-02 -3.687e-03 /

4247.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.4	-6.2	-2.7	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-14.8	-6.4	-2.8	-0.7

Chebyshev(coeffs=[[-7.35011,-0.634582,-0.337609,-0.116493],[11.3896,0.380691,0.182299,0.0531416],[0.884899,0.167583,0.0949892,0.0303104],[0.294824,0.079059,0.0459024,0.0172987],[0.0476925,-0.0139051,-0.00461294,0.00206852],[-0.0128911,-0.0281734,-0.0140205,-0.00355151]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.50
S298 (cal/mol*K) = -16.91
G298 (kcal/mol) = 34.54

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(477); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(477)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.350e+00 -6.346e-01 -3.376e-01 -1.165e-01 / CHEB/ 1.139e+01 3.807e-01 1.823e-01 5.314e-02 / CHEB/ 8.849e-01 1.676e-01 9.499e-02 3.031e-02 / CHEB/ 2.948e-01 7.906e-02 4.590e-02 1.730e-02 / CHEB/ 4.769e-02 -1.391e-02 -4.613e-03 2.069e-03 / CHEB/ -1.289e-02 -2.817e-02 -1.402e-02 -3.552e-03 /

4248.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.8	-8.3	-4.4	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-18.2	-8.5	-4.5	-2.4

Chebyshev(coeffs=[[-10.7425,-0.552208,-0.303077,-0.109663],[13.3296,0.318123,0.157888,0.0477502],[0.75565,0.15259,0.089087,0.0312486],[0.267855,0.07369,0.0433377,0.0174597],[0.0428945,-0.0115381,-0.00450046,0.000855008],[-0.0127716,-0.0254282,-0.013084,-0.00377505]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.40
S298 (cal/mol*K) = -18.82
G298 (kcal/mol) = 43.00

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(631); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(631)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.074e+01 -5.522e-01 -3.031e-01 -1.097e-01 / CHEB/ 1.333e+01 3.181e-01 1.579e-01 4.775e-02 / CHEB/ 7.556e-01 1.526e-01 8.909e-02 3.125e-02 / CHEB/ 2.679e-01 7.369e-02 4.334e-02 1.746e-02 / CHEB/ 4.289e-02 -1.154e-02 -4.500e-03 8.550e-04 / CHEB/ -1.277e-02 -2.543e-02 -1.308e-02 -3.775e-03 /

4249.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.2	-8.7	-4.8	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-18.7	-8.9	-4.9	-2.7

Chebyshev(coeffs=[[-11.1702,-0.553421,-0.303596,-0.109769],[13.3897,0.31895,0.158205,0.0478203],[0.776756,0.152847,0.089194,0.0312349],[0.273929,0.0737979,0.0433891,0.0174633],[0.0448071,-0.0115657,-0.00449951,0.000873729],[-0.0121241,-0.0254695,-0.0130981,-0.00377257]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.40
S298 (cal/mol*K) = -18.82
G298 (kcal/mol) = 43.00

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(632); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(632)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.117e+01 -5.534e-01 -3.036e-01 -1.098e-01 / CHEB/ 1.339e+01 3.190e-01 1.582e-01 4.782e-02 / CHEB/ 7.768e-01 1.528e-01 8.919e-02 3.123e-02 / CHEB/ 2.739e-01 7.380e-02 4.339e-02 1.746e-02 / CHEB/ 4.481e-02 -1.157e-02 -4.500e-03 8.737e-04 / CHEB/ -1.212e-02 -2.547e-02 -1.310e-02 -3.773e-03 /

4250.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	-3.0	-1.6	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-6.0	-3.4	-1.8	-0.8

Chebyshev(coeffs=[[1.21249,-1.06203,-0.517884,-0.140335],[2.79743,0.646337,0.289641,0.0579459],[0.920041,0.242279,0.118835,0.033588],[0.269338,0.122641,0.0591247,0.0135919],[0.0318314,-0.00881537,0.00289956,0.00582159],[-0.0210156,-0.0378272,-0.0151301,-0.000981718]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -45.43
S298 (cal/mol*K) = -48.93
G298 (kcal/mol) = -30.85

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(633); C2H4(72), C7H11(633); C5H7(210)+C2H4(72)(+M)=>C7H11(633)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.212e+00 -1.062e+00 -5.179e-01 -1.403e-01 / CHEB/ 2.797e+00 6.463e-01 2.896e-01 5.795e-02 / CHEB/ 9.200e-01 2.423e-01 1.188e-01 3.359e-02 / CHEB/ 2.693e-01 1.226e-01 5.912e-02 1.359e-02 / CHEB/ 3.183e-02 -8.815e-03 2.900e-03 5.822e-03 / CHEB/ -2.102e-02 -3.783e-02 -1.513e-02 -9.817e-04 /

4251.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	-1.2	+0.9	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-6.3	-1.5	+0.8	+2.1

Chebyshev(coeffs=[[0.94813,-0.857487,-0.431732,-0.131901],[6.03886,0.536302,0.245593,0.0614504],[0.889032,0.200508,0.10384,0.029653],[0.236586,0.0976824,0.0528488,0.0152525],[0.0143714,-0.0130703,-0.00102651,0.00467737],[-0.0250159,-0.0335114,-0.0151983,-0.00221923]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.87
S298 (cal/mol*K) = -4.00
G298 (kcal/mol) = 11.07

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H7(210); C2H4(72), C2H4(634); C5H7(210)+C2H4(72)(+M)=>C5H7(210)+C2H4(634)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.481e-01 -8.575e-01 -4.317e-01 -1.319e-01 / CHEB/ 6.039e+00 5.363e-01 2.456e-01 6.145e-02 / CHEB/ 8.890e-01 2.005e-01 1.038e-01 2.965e-02 / CHEB/ 2.366e-01 9.768e-02 5.285e-02 1.525e-02 / CHEB/ 1.437e-02 -1.307e-02 -1.027e-03 4.677e-03 / CHEB/ -2.502e-02 -3.351e-02 -1.520e-02 -2.219e-03 /

4252.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.1	-7.7	-4.0	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-17.5	-7.9	-4.1	-2.0

Chebyshev(coeffs=[[-10.1776,-0.535088,-0.29572,-0.108141],[13.2558,0.306529,0.153429,0.0467697],[0.627752,0.148867,0.0875165,0.0314318],[0.231863,0.0721615,0.0426036,0.0173918],[0.0324308,-0.0111326,-0.0045032,0.000593313],[-0.0160798,-0.0248383,-0.0128787,-0.00380432]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.11
S298 (cal/mol*K) = -9.58
G298 (kcal/mol) = 40.96

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(635); C2H4(72), CH2(137); C5H7(210)+C2H4(72)(+M)=>CH2(137)+C6H9(635)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.018e+01 -5.351e-01 -2.957e-01 -1.081e-01 / CHEB/ 1.326e+01 3.065e-01 1.534e-01 4.677e-02 / CHEB/ 6.278e-01 1.489e-01 8.752e-02 3.143e-02 / CHEB/ 2.319e-01 7.216e-02 4.260e-02 1.739e-02 / CHEB/ 3.243e-02 -1.113e-02 -4.503e-03 5.933e-04 / CHEB/ -1.608e-02 -2.484e-02 -1.288e-02 -3.804e-03 /

4253.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.1	-10.9	-5.8	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-25.3	-11.1	-5.9	-3.1

Chebyshev(coeffs=[[-17.769,-0.31399,-0.192302,-0.0843937],[19.9897,0.161086,0.0926962,0.035442],[0.45154,0.0949387,0.0608801,0.0287726],[0.187094,0.0508312,0.0312481,0.0138712],[0.0347579,-0.00448843,-0.00260946,-0.000967673],[-0.00930717,-0.0164807,-0.00938385,-0.0034481]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 52.82
S298 (cal/mol*K) = -8.23
G298 (kcal/mol) = 55.28

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(636); C2H4(72), CH2(T)(82); C5H7(210)+C2H4(72)(+M)=>CH2(T)(82)+C6H9(636)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.777e+01 -3.140e-01 -1.923e-01 -8.439e-02 / CHEB/ 1.999e+01 1.611e-01 9.270e-02 3.544e-02 / CHEB/ 4.515e-01 9.494e-02 6.088e-02 2.877e-02 / CHEB/ 1.871e-01 5.083e-02 3.125e-02 1.387e-02 / CHEB/ 3.476e-02 -4.488e-03 -2.609e-03 -9.677e-04 / CHEB/ -9.307e-03 -1.648e-02 -9.384e-03 -3.448e-03 /

4254.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.8	-7.7	-3.9	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-17.2	-8.0	-4.0	-1.7

Chebyshev(coeffs=[[-9.58653,-0.593059,-0.319583,-0.112684],[12.4893,0.365011,0.177303,0.0524574],[0.988479,0.155688,0.0906478,0.0307317],[0.3171,0.0719115,0.0426959,0.0172455],[0.0530991,-0.0148377,-0.00564858,0.0012588],[-0.0096616,-0.0269589,-0.013791,-0.00388679]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.00
S298 (cal/mol*K) = -18.07
G298 (kcal/mol) = 38.38

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(637); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(637)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.587e+00 -5.931e-01 -3.196e-01 -1.127e-01 / CHEB/ 1.249e+01 3.650e-01 1.773e-01 5.246e-02 / CHEB/ 9.885e-01 1.557e-01 9.065e-02 3.073e-02 / CHEB/ 3.171e-01 7.191e-02 4.270e-02 1.725e-02 / CHEB/ 5.310e-02 -1.484e-02 -5.649e-03 1.259e-03 / CHEB/ -9.662e-03 -2.696e-02 -1.379e-02 -3.887e-03 /

4255.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	-1.4	+0.1	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-4.6	-1.8	-0.0	+1.1

Chebyshev(coeffs=[[2.64092,-1.04865,-0.51206,-0.139483],[3.09891,0.649344,0.291348,0.0589276],[0.997651,0.237501,0.117146,0.033575],[0.285972,0.118999,0.0579679,0.0135662],[0.0362658,-0.0101789,0.00233775,0.00573947],[-0.0192647,-0.0378912,-0.0152888,-0.00107833]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -16.96
S298 (cal/mol*K) = -24.85
G298 (kcal/mol) = -9.55

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(638); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(638)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.641e+00 -1.049e+00 -5.121e-01 -1.395e-01 / CHEB/ 3.099e+00 6.493e-01 2.913e-01 5.893e-02 / CHEB/ 9.977e-01 2.375e-01 1.171e-01 3.358e-02 / CHEB/ 2.860e-01 1.190e-01 5.797e-02 1.357e-02 / CHEB/ 3.627e-02 -1.018e-02 2.338e-03 5.739e-03 / CHEB/ -1.926e-02 -3.789e-02 -1.529e-02 -1.078e-03 /

4256.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.6	+0.6	+1.5	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-1.5	+0.1	+1.3	+2.0

Chebyshev(coeffs=[[5.36563,-1.11332,-0.540131,-0.143544],[1.7472,0.631491,0.281814,0.0541353],[0.630426,0.261717,0.125959,0.0336706],[0.218063,0.138244,0.0643988,0.01394],[0.0253258,-0.00334856,0.00510669,0.0063011],[-0.0235564,-0.0379588,-0.0147527,-0.000542881]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.61
S298 (cal/mol*K) = -41.59
G298 (kcal/mol) = -48.22

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(467); C2H4(72), C7H11(467); C5H7(210)+C2H4(72)(+M)=>C7H11(467)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.366e+00 -1.113e+00 -5.401e-01 -1.435e-01 / CHEB/ 1.747e+00 6.315e-01 2.818e-01 5.414e-02 / CHEB/ 6.304e-01 2.617e-01 1.260e-01 3.367e-02 / CHEB/ 2.181e-01 1.382e-01 6.440e-02 1.394e-02 / CHEB/ 2.533e-02 -3.349e-03 5.107e-03 6.301e-03 / CHEB/ -2.356e-02 -3.796e-02 -1.475e-02 -5.429e-04 /

4257.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-2.9	-0.9	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-3.3	-1.0	+0.3

Chebyshev(coeffs=[[0.0774721,-0.965688,-0.477318,-0.136387],[4.78248,0.614134,0.277691,0.0612349],[1.11608,0.210931,0.106689,0.0314751],[0.265581,0.107938,0.0552438,0.013943],[0.0197985,-0.0115497,0.00106308,0.00541584],[-0.023059,-0.0356682,-0.015307,-0.00161603]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -48.11
S298 (cal/mol*K) = -45.02
G298 (kcal/mol) = -34.70

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(470); C2H4(72), C7H11(470); C5H7(210)+C2H4(72)(+M)=>C7H11(470)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.747e-02 -9.657e-01 -4.773e-01 -1.364e-01 / CHEB/ 4.782e+00 6.141e-01 2.777e-01 6.123e-02 / CHEB/ 1.116e+00 2.109e-01 1.067e-01 3.148e-02 / CHEB/ 2.656e-01 1.079e-01 5.524e-02 1.394e-02 / CHEB/ 1.980e-02 -1.155e-02 1.063e-03 5.416e-03 / CHEB/ -2.306e-02 -3.567e-02 -1.531e-02 -1.616e-03 /

4258.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+0.2	+1.1	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-2.0	-0.3	+0.9	+1.6

Chebyshev(coeffs=[[4.91295,-1.10895,-0.538191,-0.143204],[1.80122,0.634043,0.283091,0.0545903],[0.659017,0.260686,0.125656,0.0337581],[0.219846,0.1369,0.0639505,0.0139247],[0.0194337,-0.0039602,0.00487596,0.00625297],[-0.0252946,-0.0380683,-0.0148173,-0.00058854]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.61
S298 (cal/mol*K) = -41.59
G298 (kcal/mol) = -48.22

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(466); C2H4(72), C7H11(466); C5H7(210)+C2H4(72)(+M)=>C7H11(466)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.913e+00 -1.109e+00 -5.382e-01 -1.432e-01 / CHEB/ 1.801e+00 6.340e-01 2.831e-01 5.459e-02 / CHEB/ 6.590e-01 2.607e-01 1.257e-01 3.376e-02 / CHEB/ 2.198e-01 1.369e-01 6.395e-02 1.392e-02 / CHEB/ 1.943e-02 -3.960e-03 4.876e-03 6.253e-03 / CHEB/ -2.529e-02 -3.807e-02 -1.482e-02 -5.885e-04 /

4259.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.9	-1.2	-0.0	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-3.8	-1.7	-0.2	+0.6

Chebyshev(coeffs=[[3.26156,-1.08303,-0.52705,-0.141721],[2.31321,0.639854,0.286181,0.0562807],[0.784079,0.24945,0.121338,0.0335316],[0.239401,0.128706,0.0610969,0.0136642],[0.0247708,-0.00642455,0.00385356,0.00598217],[-0.0238856,-0.0376544,-0.014881,-0.000818262]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -51.11
S298 (cal/mol*K) = -42.32
G298 (kcal/mol) = -38.50

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(468); C2H4(72), C7H11(468); C5H7(210)+C2H4(72)(+M)=>C7H11(468)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.262e+00 -1.083e+00 -5.271e-01 -1.417e-01 / CHEB/ 2.313e+00 6.399e-01 2.862e-01 5.628e-02 / CHEB/ 7.841e-01 2.495e-01 1.213e-01 3.353e-02 / CHEB/ 2.394e-01 1.287e-01 6.110e-02 1.366e-02 / CHEB/ 2.477e-02 -6.425e-03 3.854e-03 5.982e-03 / CHEB/ -2.389e-02 -3.765e-02 -1.488e-02 -8.183e-04 /

4260.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-3.0	-1.2	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-3.4	-1.4	-0.2

Chebyshev(coeffs=[[0.6608,-1.01677,-0.498726,-0.138273],[3.75905,0.639032,0.287387,0.0598521],[1.05772,0.223811,0.111639,0.0326884],[0.273714,0.114026,0.0566141,0.0135646],[0.0311285,-0.0104823,0.00199043,0.00562678],[-0.0203972,-0.0367826,-0.0152313,-0.00128982]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -45.91
S298 (cal/mol*K) = -45.44
G298 (kcal/mol) = -32.37

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(471); C2H4(72), C7H11(471); C5H7(210)+C2H4(72)(+M)=>C7H11(471)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.608e-01 -1.017e+00 -4.987e-01 -1.383e-01 / CHEB/ 3.759e+00 6.390e-01 2.874e-01 5.985e-02 / CHEB/ 1.058e+00 2.238e-01 1.116e-01 3.269e-02 / CHEB/ 2.737e-01 1.140e-01 5.661e-02 1.356e-02 / CHEB/ 3.113e-02 -1.048e-02 1.990e-03 5.627e-03 / CHEB/ -2.040e-02 -3.678e-02 -1.523e-02 -1.290e-03 /

4261.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	-0.7	+0.4	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-3.1	-1.2	+0.2	+1.0

Chebyshev(coeffs=[[3.87517,-1.09229,-0.531036,-0.142254],[2.10076,0.637985,0.285154,0.055675],[0.732552,0.253338,0.122815,0.0336044],[0.232095,0.131433,0.0620204,0.0137358],[0.0243765,-0.00562407,0.0041842,0.00606388],[-0.0241063,-0.0377827,-0.0148489,-0.000742224]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.29
S298 (cal/mol*K) = -44.53
G298 (kcal/mol) = -48.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(639); C2H4(72), C7H11(639); C5H7(210)+C2H4(72)(+M)=>C7H11(639)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.875e+00 -1.092e+00 -5.310e-01 -1.423e-01 / CHEB/ 2.101e+00 6.380e-01 2.852e-01 5.568e-02 / CHEB/ 7.326e-01 2.533e-01 1.228e-01 3.360e-02 / CHEB/ 2.321e-01 1.314e-01 6.202e-02 1.374e-02 / CHEB/ 2.438e-02 -5.624e-03 4.184e-03 6.064e-03 / CHEB/ -2.411e-02 -3.778e-02 -1.485e-02 -7.422e-04 /

4262.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.7	-10.5	-5.3	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-24.9	-10.6	-5.4	-2.6

Chebyshev(coeffs=[[-17.3818,-0.310918,-0.190718,-0.0839524],[20.1075,0.159106,0.0917723,0.0352649],[0.450102,0.0941444,0.0604279,0.028629],[0.186597,0.0505152,0.0310722,0.0138055],[0.0347982,-0.00439315,-0.00256106,-0.000957918],[-0.00919951,-0.016358,-0.00932825,-0.00343975]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 53.41
S298 (cal/mol*K) = -5.19
G298 (kcal/mol) = 54.96

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H8(640); C2H4(72), C2H3(100); C5H7(210)+C2H4(72)(+M)=>C2H3(100)+C5H8(640)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.738e+01 -3.109e-01 -1.907e-01 -8.395e-02 / CHEB/ 2.011e+01 1.591e-01 9.177e-02 3.526e-02 / CHEB/ 4.501e-01 9.414e-02 6.043e-02 2.863e-02 / CHEB/ 1.866e-01 5.052e-02 3.107e-02 1.381e-02 / CHEB/ 3.480e-02 -4.393e-03 -2.561e-03 -9.579e-04 / CHEB/ -9.200e-03 -1.636e-02 -9.328e-03 -3.440e-03 /

4297.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.6	+4.2	+6.1	+6.8
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+3.3	+5.5	+6.5

Chebyshev(coeffs=[[4.08888,-1.89303,-0.179642,0.00721064],[8.57747,0.924191,-0.130305,0.00121352],[0.302122,0.225668,0.0918088,-0.0214378],[-0.257639,0.0955672,0.0232835,-0.00675856],[-0.0950915,0.0942881,0.000184108,-0.00523539],[-0.019198,0.0610318,0.00482166,-0.0029348]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.67
S298 (cal/mol*K) = 31.17
G298 (kcal/mol) = 4.39

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H5(880); H(25), C3H5(98); C7H9(5)+H(25)(+M)=>C3H5(98)+C4H5(880)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.089e+00 -1.893e+00 -1.796e-01 7.211e-03 / CHEB/ 8.577e+00 9.242e-01 -1.303e-01 1.214e-03 / CHEB/ 3.021e-01 2.257e-01 9.181e-02 -2.144e-02 / CHEB/ -2.576e-01 9.557e-02 2.328e-02 -6.759e-03 / CHEB/ -9.509e-02 9.429e-02 1.841e-04 -5.235e-03 / CHEB/ -1.920e-02 6.103e-02 4.822e-03 -2.935e-03 /

4298.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.2	-2.1	+1.3	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-15.0	-2.6	+1.1	+2.7

Chebyshev(coeffs=[[-7.65715,-1.15898,-0.301567,-0.00256071],[16.8979,0.742094,0.0810338,-0.0401224],[-0.22346,0.17315,0.093793,0.00220966],[-0.214659,0.0541847,0.0340445,0.00806287],[-0.0830066,0.0543267,0.0127396,0.00221264],[-0.0336994,0.0262068,0.0084789,0.000622438]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 53.85
S298 (cal/mol*K) = 40.06
G298 (kcal/mol) = 41.92

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H7(881); H(25), C2H3(100); C7H9(5)+H(25)(+M)=>C2H3(100)+C5H7(881)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.657e+00 -1.159e+00 -3.016e-01 -2.561e-03 / CHEB/ 1.690e+01 7.421e-01 8.103e-02 -4.012e-02 / CHEB/ -2.235e-01 1.731e-01 9.379e-02 2.210e-03 / CHEB/ -2.147e-01 5.418e-02 3.404e-02 8.063e-03 / CHEB/ -8.301e-02 5.433e-02 1.274e-02 2.213e-03 / CHEB/ -3.370e-02 2.621e-02 8.479e-03 6.224e-04 /

4299.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	+2.3	+4.5	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-7.0	+1.5	+4.0	+5.1

Chebyshev(coeffs=[[0.608585,-1.62265,-0.253878,0.0101552],[10.9582,0.851781,-0.0205069,-0.0189039],[-0.00135705,0.247843,0.0757676,-0.0170281],[-0.255487,0.0935041,0.0335136,-0.00760099],[-0.0950896,0.0805568,0.0108926,-0.000878198],[-0.0277626,0.0450993,0.00883047,0.000406244]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.61
S298 (cal/mol*K) = 38.40
G298 (kcal/mol) = 18.17

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H7(358); H(25), C3H3(785); C7H9(5)+H(25)(+M)=>C4H7(358)+C3H3(785)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.086e-01 -1.623e+00 -2.539e-01 1.016e-02 / CHEB/ 1.096e+01 8.518e-01 -2.051e-02 -1.890e-02 / CHEB/ -1.357e-03 2.478e-01 7.577e-02 -1.703e-02 / CHEB/ -2.555e-01 9.350e-02 3.351e-02 -7.601e-03 / CHEB/ -9.509e-02 8.056e-02 1.089e-02 -8.782e-04 / CHEB/ -2.776e-02 4.510e-02 8.830e-03 4.062e-04 /

4300.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.6	-6.4	-2.0	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-21.3	-6.8	-2.2	-0.1

Chebyshev(coeffs=[[-13.768,-0.980992,-0.309667,-0.0160645],[19.9715,0.662761,0.122253,-0.035738],[-0.0472161,0.136253,0.0877396,0.01443],[-0.147428,0.0412749,0.0273959,0.0100582],[-0.0605307,0.0474737,0.0125042,0.00147147],[-0.025319,0.0215918,0.00818136,0.0006985]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 62.53
S298 (cal/mol*K) = 26.42
G298 (kcal/mol) = 54.66

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(882); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(882)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.377e+01 -9.810e-01 -3.097e-01 -1.606e-02 / CHEB/ 1.997e+01 6.628e-01 1.223e-01 -3.574e-02 / CHEB/ -4.722e-02 1.363e-01 8.774e-02 1.443e-02 / CHEB/ -1.474e-01 4.127e-02 2.740e-02 1.006e-02 / CHEB/ -6.053e-02 4.747e-02 1.250e-02 1.471e-03 / CHEB/ -2.532e-02 2.159e-02 8.181e-03 6.985e-04 /

4301.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-0.7	+2.4	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-11.9	-1.4	+1.9	+3.5

Chebyshev(coeffs=[[-4.1333,-1.48537,-0.271783,0.00722531],[13.7923,0.826998,0.00957892,-0.0243614],[0.139641,0.237421,0.0816449,-0.0163641],[-0.168341,0.08397,0.0373924,-0.00305728],[-0.0663113,0.0710901,0.0131679,0.00144035],[-0.0228261,0.0379835,0.00907624,0.000830905]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.81
S298 (cal/mol*K) = 26.13
G298 (kcal/mol) = 31.02

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(883); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(883)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.133e+00 -1.485e+00 -2.718e-01 7.225e-03 / CHEB/ 1.379e+01 8.270e-01 9.579e-03 -2.436e-02 / CHEB/ 1.396e-01 2.374e-01 8.164e-02 -1.636e-02 / CHEB/ -1.683e-01 8.397e-02 3.739e-02 -3.057e-03 / CHEB/ -6.631e-02 7.109e-02 1.317e-02 1.440e-03 / CHEB/ -2.283e-02 3.798e-02 9.076e-03 8.309e-04 /

4302.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.5	-5.8	-1.3	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-21.2	-6.2	-1.5	+0.8

Chebyshev(coeffs=[[-13.6271,-0.930812,-0.309663,-0.0209687],[20.6384,0.637125,0.13245,-0.0322324],[-0.039253,0.126433,0.0845415,0.0172135],[-0.141651,0.0379812,0.0253821,0.0101774],[-0.058406,0.0456321,0.0125299,0.00128781],[-0.0242227,0.0203932,0.00806055,0.000754534]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 64.73
S298 (cal/mol*K) = 26.00
G298 (kcal/mol) = 56.98

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(884); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(884)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.363e+01 -9.308e-01 -3.097e-01 -2.097e-02 / CHEB/ 2.064e+01 6.371e-01 1.325e-01 -3.223e-02 / CHEB/ -3.925e-02 1.264e-01 8.454e-02 1.721e-02 / CHEB/ -1.417e-01 3.798e-02 2.538e-02 1.018e-02 / CHEB/ -5.841e-02 4.563e-02 1.253e-02 1.288e-03 / CHEB/ -2.422e-02 2.039e-02 8.061e-03 7.545e-04 /

4303.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.2	-3.9	-1.1	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-14.3	-4.6	-1.5	-0.1

Chebyshev(coeffs=[[-6.45292,-1.58579,-0.259494,0.00933962],[12.4934,0.844654,-0.0115595,-0.0201054],[0.208044,0.246516,0.076765,-0.01718],[-0.180593,0.0915605,0.0347437,-0.00662008],[-0.0702681,0.0779672,0.011751,-0.000168422],[-0.0205232,0.0430558,0.00899249,0.000593864]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.19
S298 (cal/mol*K) = 2.85
G298 (kcal/mol) = 27.34

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(885); H(25), C7H10(885); C7H9(5)+H(25)(+M)=>C7H10(885)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.453e+00 -1.586e+00 -2.595e-01 9.340e-03 / CHEB/ 1.249e+01 8.447e-01 -1.156e-02 -2.011e-02 / CHEB/ 2.080e-01 2.465e-01 7.677e-02 -1.718e-02 / CHEB/ -1.806e-01 9.156e-02 3.474e-02 -6.620e-03 / CHEB/ -7.027e-02 7.797e-02 1.175e-02 -1.684e-04 / CHEB/ -2.052e-02 4.306e-02 8.992e-03 5.939e-04 /

4304.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	-0.6	+1.5	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-9.0	-1.5	+0.9	+2.0

Chebyshev(coeffs=[[-1.05506,-1.87165,-0.187659,0.00860097],[9.14179,0.91656,-0.11872,-0.00207372],[0.3748,0.229888,0.0891031,-0.0202058],[-0.231008,0.0955516,0.023995,-0.00728345],[-0.0864259,0.0938793,0.00123732,-0.00512191],[-0.0164825,0.059872,0.00529125,-0.00254633]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.55
S298 (cal/mol*K) = 3.81
G298 (kcal/mol) = 4.42

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(886); H(25), C7H10(886); C7H9(5)+H(25)(+M)=>C7H10(886)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.055e+00 -1.872e+00 -1.877e-01 8.601e-03 / CHEB/ 9.142e+00 9.166e-01 -1.187e-01 -2.074e-03 / CHEB/ 3.748e-01 2.299e-01 8.910e-02 -2.021e-02 / CHEB/ -2.310e-01 9.555e-02 2.399e-02 -7.283e-03 / CHEB/ -8.643e-02 9.388e-02 1.237e-03 -5.122e-03 / CHEB/ -1.648e-02 5.987e-02 5.291e-03 -2.546e-03 /

4305.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	+0.4	+2.2	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-7.6	-0.6	+1.6	+2.6

Chebyshev(coeffs=[[0.294536,-1.90806,-0.173906,0.00613887],[8.50374,0.929908,-0.138558,0.00364155],[0.320462,0.222324,0.0937585,-0.0223331],[-0.255618,0.0956861,0.0228311,-0.00641165],[-0.0942816,0.0944599,-0.000568836,-0.0052563],[-0.0187247,0.061823,0.00448255,-0.00322096]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.90
S298 (cal/mol*K) = 5.53
G298 (kcal/mol) = 1.26

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(887); H(25), C7H10(887); C7H9(5)+H(25)(+M)=>C7H10(887)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.945e-01 -1.908e+00 -1.739e-01 6.139e-03 / CHEB/ 8.504e+00 9.299e-01 -1.386e-01 3.642e-03 / CHEB/ 3.205e-01 2.223e-01 9.376e-02 -2.233e-02 / CHEB/ -2.556e-01 9.569e-02 2.283e-02 -6.412e-03 / CHEB/ -9.428e-02 9.446e-02 -5.688e-04 -5.256e-03 / CHEB/ -1.872e-02 6.182e-02 4.483e-03 -3.221e-03 /

4306.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-4.0	-1.1	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-4.7	-1.6	-0.1

Chebyshev(coeffs=[[-6.83728,-1.54592,-0.264809,0.00846747],[12.8603,0.837435,-0.00275193,-0.0215945],[0.147874,0.243869,0.0783959,-0.017117],[-0.184709,0.0889016,0.0359465,-0.00533808],[-0.0716279,0.0751771,0.0124726,0.000539835],[-0.0225626,0.0409514,0.00907807,0.000732084]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.25
S298 (cal/mol*K) = 3.40
G298 (kcal/mol) = 24.24

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(888); H(25), C7H10(888); C7H9(5)+H(25)(+M)=>C7H10(888)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.837e+00 -1.546e+00 -2.648e-01 8.467e-03 / CHEB/ 1.286e+01 8.374e-01 -2.752e-03 -2.159e-02 / CHEB/ 1.479e-01 2.439e-01 7.840e-02 -1.712e-02 / CHEB/ -1.847e-01 8.890e-02 3.595e-02 -5.338e-03 / CHEB/ -7.163e-02 7.518e-02 1.247e-02 5.398e-04 / CHEB/ -2.256e-02 4.095e-02 9.078e-03 7.321e-04 /

4307.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-0.9	+1.2	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-9.1	-1.8	+0.6	+1.8

Chebyshev(coeffs=[[-1.15126,-1.87961,-0.18248,0.00741778],[8.96661,0.92963,-0.125853,-0.000235578],[0.420404,0.228732,0.0921769,-0.0212766],[-0.200091,0.0957156,0.0240277,-0.00689921],[-0.0773851,0.0935042,0.00100483,-0.00505715],[0.00311079,0.0592945,0.00543026,-0.00259095]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.80
S298 (cal/mol*K) = 1.23
G298 (kcal/mol) = 7.44

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(889); H(25), C7H10(889); C7H9(5)+H(25)(+M)=>C7H10(889)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.151e+00 -1.880e+00 -1.825e-01 7.418e-03 / CHEB/ 8.967e+00 9.296e-01 -1.259e-01 -2.356e-04 / CHEB/ 4.204e-01 2.287e-01 9.218e-02 -2.128e-02 / CHEB/ -2.001e-01 9.572e-02 2.403e-02 -6.899e-03 / CHEB/ -7.739e-02 9.350e-02 1.005e-03 -5.057e-03 / CHEB/ 3.111e-03 5.929e-02 5.430e-03 -2.591e-03 /

4308.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.1	-3.7	-0.9	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-14.2	-4.5	-1.4	+0.1

Chebyshev(coeffs=[[-6.44956,-1.56938,-0.261767,0.00897687],[12.6456,0.841631,-0.00784243,-0.0206896],[0.183594,0.24558,0.0773754,-0.0171885],[-0.182097,0.0905332,0.0352574,-0.00611786],[-0.0707582,0.0768136,0.0120744,0.000132129],[-0.0213509,0.0421759,0.00903792,0.000658555]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.45
S298 (cal/mol*K) = 2.98
G298 (kcal/mol) = 26.57

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(890); H(25), C7H10(890); C7H9(5)+H(25)(+M)=>C7H10(890)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.450e+00 -1.569e+00 -2.618e-01 8.977e-03 / CHEB/ 1.265e+01 8.416e-01 -7.842e-03 -2.069e-02 / CHEB/ 1.836e-01 2.456e-01 7.738e-02 -1.719e-02 / CHEB/ -1.821e-01 9.053e-02 3.526e-02 -6.118e-03 / CHEB/ -7.076e-02 7.681e-02 1.207e-02 1.321e-04 / CHEB/ -2.135e-02 4.218e-02 9.038e-03 6.586e-04 /

4309.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.6	+0.2	+2.1	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-0.8	+1.5	+2.5

Chebyshev(coeffs=[[0.148252,-1.92865,-0.165981,0.00459943],[8.48966,0.938274,-0.149907,0.00702374],[0.362231,0.217194,0.0964434,-0.0235269],[-0.247586,0.0960348,0.0222906,-0.00600929],[-0.0913646,0.0945299,-0.00161601,-0.00519182],[-0.0175095,0.0628722,0.00401026,-0.0036305]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.15
S298 (cal/mol*K) = 2.95
G298 (kcal/mol) = 4.28

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(891); H(25), C7H10(891); C7H9(5)+H(25)(+M)=>C7H10(891)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.483e-01 -1.929e+00 -1.660e-01 4.599e-03 / CHEB/ 8.490e+00 9.383e-01 -1.499e-01 7.024e-03 / CHEB/ 3.622e-01 2.172e-01 9.644e-02 -2.353e-02 / CHEB/ -2.476e-01 9.603e-02 2.229e-02 -6.009e-03 / CHEB/ -9.136e-02 9.453e-02 -1.616e-03 -5.192e-03 / CHEB/ -1.751e-02 6.287e-02 4.010e-03 -3.631e-03 /

4310.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	+1.2	+4.6	+5.9
log₁₀(k(10 bar)/[mole,m,s])	-11.4	+0.6	+4.3	+5.8

Chebyshev(coeffs=[[-3.69436,-1.33166,-0.28581,0.00405008],[15.8669,0.801894,0.0412894,-0.0331887],[0.0411443,0.212362,0.0912891,-0.010058],[-0.209873,0.0703588,0.0386408,0.00327506],[-0.104851,0.062783,0.0137289,0.00263031],[-0.0639441,0.0322528,0.00898048,0.000794765]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.98
S298 (cal/mol*K) = 19.14
G298 (kcal/mol) = 20.28

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(892); H(25), C7H10(892); C7H9(5)+H(25)(+M)=>C7H10(892)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.694e+00 -1.332e+00 -2.858e-01 4.050e-03 / CHEB/ 1.587e+01 8.019e-01 4.129e-02 -3.319e-02 / CHEB/ 4.114e-02 2.124e-01 9.129e-02 -1.006e-02 / CHEB/ -2.099e-01 7.036e-02 3.864e-02 3.275e-03 / CHEB/ -1.049e-01 6.278e-02 1.373e-02 2.630e-03 / CHEB/ -6.394e-02 3.225e-02 8.980e-03 7.948e-04 /

4311.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.6	-3.2	-0.1	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-3.9	-0.5	+1.1

Chebyshev(coeffs=[[-6.9108,-1.45678,-0.274764,0.0066734],[14.1491,0.822032,0.015213,-0.0258813],[0.118406,0.233423,0.0833596,-0.0156767],[-0.166575,0.0813709,0.0378666,-0.00189252],[-0.0658222,0.0692571,0.0133457,0.00177564],[-0.0235399,0.0366806,0.00903865,0.000840667]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.25
S298 (cal/mol*K) = 0.33
G298 (kcal/mol) = 31.15

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(893); H(25), C7H10(893); C7H9(5)+H(25)(+M)=>C7H10(893)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.911e+00 -1.457e+00 -2.748e-01 6.673e-03 / CHEB/ 1.415e+01 8.220e-01 1.521e-02 -2.588e-02 / CHEB/ 1.184e-01 2.334e-01 8.336e-02 -1.568e-02 / CHEB/ -1.666e-01 8.137e-02 3.787e-02 -1.893e-03 / CHEB/ -6.582e-02 6.926e-02 1.335e-02 1.776e-03 / CHEB/ -2.354e-02 3.668e-02 9.039e-03 8.407e-04 /

4312.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-2.7	-0.1	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-3.5	-0.6	+0.7

Chebyshev(coeffs=[[-5.08358,-1.57865,-0.2605,0.00918132],[12.0623,0.843325,-0.00992225,-0.0203555],[0.087583,0.246136,0.0770187,-0.0171889],[-0.213558,0.091123,0.0349709,-0.00640605],[-0.0811842,0.0774649,0.011896,-3.60856e-05],[-0.0246505,0.0426696,0.00901424,0.00062343]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.33
S298 (cal/mol*K) = 1.23
G298 (kcal/mol) = 18.96

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(894); H(25), C7H10(894); C7H9(5)+H(25)(+M)=>C7H10(894)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.084e+00 -1.579e+00 -2.605e-01 9.181e-03 / CHEB/ 1.206e+01 8.433e-01 -9.922e-03 -2.036e-02 / CHEB/ 8.758e-02 2.461e-01 7.702e-02 -1.719e-02 / CHEB/ -2.136e-01 9.112e-02 3.497e-02 -6.406e-03 / CHEB/ -8.118e-02 7.746e-02 1.190e-02 -3.609e-05 / CHEB/ -2.465e-02 4.267e-02 9.014e-03 6.234e-04 /

4313.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+5.5	+6.4	+6.3
log₁₀(k(10 bar)/[mole,m,s])	-0.5	+4.6	+5.9	+6.0

Chebyshev(coeffs=[[7.56377,-2.25501,-0.275024,-0.0294166],[4.83538,1.34087,0.0210968,-0.0159732],[0.379928,0.440512,0.0518702,0.0237309],[-0.334989,0.0421943,-0.0034244,-0.0169949],[-0.217004,-0.0133775,0.0225526,-0.0102015],[-0.0870514,-0.0215137,0.0182108,0.00604278]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -62.11
S298 (cal/mol*K) = -6.79
G298 (kcal/mol) = -60.09

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(517); H(25), C7H10(517); C7H9(5)+H(25)(+M)=>C7H10(517)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.564e+00 -2.255e+00 -2.750e-01 -2.942e-02 / CHEB/ 4.835e+00 1.341e+00 2.110e-02 -1.597e-02 / CHEB/ 3.799e-01 4.405e-01 5.187e-02 2.373e-02 / CHEB/ -3.350e-01 4.219e-02 -3.424e-03 -1.699e-02 / CHEB/ -2.170e-01 -1.338e-02 2.255e-02 -1.020e-02 / CHEB/ -8.705e-02 -2.151e-02 1.821e-02 6.043e-03 /

4314.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.1	+4.4	+5.2	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-1.4	+3.3	+4.4	+4.8

Chebyshev(coeffs=[[6.45747,-2.47221,-0.0508967,0.0110832],[5.02759,1.22772,-0.261522,0.00144133],[0.196642,0.00141866,0.0434765,0.012207],[-0.359589,0.0860797,0.0774828,-0.0214016],[-0.106244,0.0907473,-0.0353521,0.000230565],[-0.0219564,0.0586715,-0.0156664,0.00158777]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.38
S298 (cal/mol*K) = -16.61
G298 (kcal/mol) = -25.43

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(895); H(25), C7H10(895); C7H9(5)+H(25)(+M)=>C7H10(895)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.457e+00 -2.472e+00 -5.090e-02 1.108e-02 / CHEB/ 5.028e+00 1.228e+00 -2.615e-01 1.441e-03 / CHEB/ 1.966e-01 1.419e-03 4.348e-02 1.221e-02 / CHEB/ -3.596e-01 8.608e-02 7.748e-02 -2.140e-02 / CHEB/ -1.062e-01 9.075e-02 -3.535e-02 2.306e-04 / CHEB/ -2.196e-02 5.867e-02 -1.567e-02 1.588e-03 /

4315.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-4.7	-1.3	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-15.6	-5.4	-1.5	+0.4

Chebyshev(coeffs=[[-8.09811,-1.4574,-0.686625,-0.165124],[13.9715,0.858236,0.382811,0.0735411],[0.4083,0.320414,0.140738,0.0276572],[0.131162,0.179289,0.0719328,0.00713955],[0.0162322,0.0292258,0.022204,0.00879938],[-0.0142808,-0.0350431,-0.00584483,0.00560232]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.18
S298 (cal/mol*K) = 31.13
G298 (kcal/mol) = 25.90

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(620); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(620)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.098e+00 -1.457e+00 -6.866e-01 -1.651e-01 / CHEB/ 1.397e+01 8.582e-01 3.828e-01 7.354e-02 / CHEB/ 4.083e-01 3.204e-01 1.407e-01 2.766e-02 / CHEB/ 1.312e-01 1.793e-01 7.193e-02 7.140e-03 / CHEB/ 1.623e-02 2.923e-02 2.220e-02 8.799e-03 / CHEB/ -1.428e-02 -3.504e-02 -5.845e-03 5.602e-03 /

4316.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.1	-3.4	-0.7	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-4.3	-1.0	+0.6

Chebyshev(coeffs=[[-5.01943,-1.9619,-0.812718,-0.131725],[11.0672,1.28075,0.46768,0.0276807],[0.458534,0.352362,0.155529,0.0332126],[0.113861,0.174139,0.0659228,0.00674431],[0.00469699,0.0419002,0.0269796,0.00639891],[-0.0187793,-0.0243341,0.0013382,0.00605341]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.10
S298 (cal/mol*K) = 8.11
G298 (kcal/mol) = -4.51

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(621); H(25), C7H11(621); C7H10(1)+H(25)(+M)=>C7H11(621)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.019e+00 -1.962e+00 -8.127e-01 -1.317e-01 / CHEB/ 1.107e+01 1.281e+00 4.677e-01 2.768e-02 / CHEB/ 4.585e-01 3.524e-01 1.555e-01 3.321e-02 / CHEB/ 1.139e-01 1.741e-01 6.592e-02 6.744e-03 / CHEB/ 4.697e-03 4.190e-02 2.698e-02 6.399e-03 / CHEB/ -1.878e-02 -2.433e-02 1.338e-03 6.053e-03 /

4317.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.8	-5.5	-2.3	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-15.9	-6.2	-2.6	-0.7

Chebyshev(coeffs=[[-8.55824,-1.52606,-0.709796,-0.164558],[13.3881,0.886078,0.389306,0.0703757],[0.320229,0.332433,0.143698,0.0272495],[0.110947,0.184518,0.0722983,0.00621049],[0.0151367,0.0339022,0.0239384,0.00838652],[-0.0161432,-0.0317869,-0.00380508,0.00594867]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.10
S298 (cal/mol*K) = 8.11
G298 (kcal/mol) = -4.51

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(622); H(25), C7H11(622); C7H10(1)+H(25)(+M)=>C7H11(622)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.558e+00 -1.526e+00 -7.098e-01 -1.646e-01 / CHEB/ 1.339e+01 8.861e-01 3.893e-01 7.038e-02 / CHEB/ 3.202e-01 3.324e-01 1.437e-01 2.725e-02 / CHEB/ 1.109e-01 1.845e-01 7.230e-02 6.210e-03 / CHEB/ 1.514e-02 3.390e-02 2.394e-02 8.387e-03 / CHEB/ -1.614e-02 -3.179e-02 -3.805e-03 5.949e-03 /

4318.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	-0.2	+1.0	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-1.6	+0.4	+1.3

Chebyshev(coeffs=[[1.37781,-3.6134,-0.705911,-0.0142134],[5.61677,2.70803,0.133084,-0.0932844],[0.372786,0.39262,0.259762,0.00941492],[0.0112686,0.118992,0.0914853,0.0179345],[-0.0384566,0.0589074,0.0247775,0.00634564],[-0.0405853,0.00951431,0.00675011,0.00284148]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.70
S298 (cal/mol*K) = 2.61
G298 (kcal/mol) = -28.47

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(623); H(25), C7H11(623); C7H10(1)+H(25)(+M)=>C7H11(623)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.378e+00 -3.613e+00 -7.059e-01 -1.421e-02 / CHEB/ 5.617e+00 2.708e+00 1.331e-01 -9.328e-02 / CHEB/ 3.728e-01 3.926e-01 2.598e-01 9.415e-03 / CHEB/ 1.127e-02 1.190e-01 9.149e-02 1.793e-02 / CHEB/ -3.846e-02 5.891e-02 2.478e-02 6.346e-03 / CHEB/ -4.059e-02 9.514e-03 6.750e-03 2.841e-03 /

4319.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	-0.4	+1.0	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-1.6	+0.4	+1.3

Chebyshev(coeffs=[[1.13264,-3.51975,-0.728661,-0.0128846],[5.85984,2.63387,0.170683,-0.0986409],[0.3786,0.385387,0.254124,0.0138805],[0.0191965,0.121278,0.0878835,0.0183872],[-0.0308579,0.0589051,0.0243745,0.00603801],[-0.0377108,0.00773086,0.00710437,0.00271983]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.60
S298 (cal/mol*K) = 11.54
G298 (kcal/mol) = -18.04

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(624); H(25), C7H11(624); C7H10(1)+H(25)(+M)=>C7H11(624)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.133e+00 -3.520e+00 -7.287e-01 -1.288e-02 / CHEB/ 5.860e+00 2.634e+00 1.707e-01 -9.864e-02 / CHEB/ 3.786e-01 3.854e-01 2.541e-01 1.388e-02 / CHEB/ 1.920e-02 1.213e-01 8.788e-02 1.839e-02 / CHEB/ -3.086e-02 5.891e-02 2.437e-02 6.038e-03 / CHEB/ -3.771e-02 7.731e-03 7.104e-03 2.720e-03 /

4320.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-2.0	-0.2	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-3.2	-0.7	+0.4

Chebyshev(coeffs=[[-1.68969,-2.85959,-0.849465,-0.0359784],[7.70072,2.04808,0.394568,-0.0883081],[0.436607,0.376322,0.201801,0.0358918],[0.040127,0.147732,0.0702699,0.0155641],[-0.0390929,0.0588779,0.0273008,0.00348349],[-0.0361951,-0.00329749,0.00820014,0.00343487]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -5.10
S298 (cal/mol*K) = 10.81
G298 (kcal/mol) = -8.32

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(596); H(25), C7H11(596); C7H10(1)+H(25)(+M)=>C7H11(596)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.690e+00 -2.860e+00 -8.495e-01 -3.598e-02 / CHEB/ 7.701e+00 2.048e+00 3.946e-01 -8.831e-02 / CHEB/ 4.366e-01 3.763e-01 2.018e-01 3.589e-02 / CHEB/ 4.013e-02 1.477e-01 7.027e-02 1.556e-02 / CHEB/ -3.909e-02 5.888e-02 2.730e-02 3.483e-03 / CHEB/ -3.620e-02 -3.297e-03 8.200e-03 3.435e-03 /

4321.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.1	-8.9	-3.6	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-25.6	-9.2	-3.7	-1.0

Chebyshev(coeffs=[[-18.2041,-0.622905,-0.354074,-0.135075],[23.1508,0.294772,0.163117,0.0590325],[0.00459232,0.181814,0.09702,0.0310834],[0.0274962,0.114124,0.0595526,0.0176661],[-0.0136704,0.000655551,0.00405001,0.00444401],[-0.0232333,-0.0327566,-0.0141518,-0.00164651]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 73.06
S298 (cal/mol*K) = 50.07
G298 (kcal/mol) = 58.14

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(626); H(25), CH3(425); C7H10(1)+H(25)(+M)=>C6H8(626)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.820e+01 -6.229e-01 -3.541e-01 -1.351e-01 / CHEB/ 2.315e+01 2.948e-01 1.631e-01 5.903e-02 / CHEB/ 4.592e-03 1.818e-01 9.702e-02 3.108e-02 / CHEB/ 2.750e-02 1.141e-01 5.955e-02 1.767e-02 / CHEB/ -1.367e-02 6.556e-04 4.050e-03 4.444e-03 / CHEB/ -2.323e-02 -3.276e-02 -1.415e-02 -1.647e-03 /

4322.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.3	-11.6	-6.0	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-28.8	-11.9	-6.1	-3.2

Chebyshev(coeffs=[[-21.2356,-0.630013,-0.357423,-0.135752],[23.7661,0.298492,0.164857,0.0593534],[0.173271,0.183643,0.0977342,0.031103],[0.0773529,0.115259,0.0599669,0.0176387],[0.00288732,0.000846038,0.004215,0.00454286],[-0.0174071,-0.0329862,-0.0141734,-0.00157802]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 73.60
S298 (cal/mol*K) = 38.58
G298 (kcal/mol) = 62.11

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(627); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(627)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.124e+01 -6.300e-01 -3.574e-01 -1.358e-01 / CHEB/ 2.377e+01 2.985e-01 1.649e-01 5.935e-02 / CHEB/ 1.733e-01 1.836e-01 9.773e-02 3.110e-02 / CHEB/ 7.735e-02 1.153e-01 5.997e-02 1.764e-02 / CHEB/ 2.887e-03 8.460e-04 4.215e-03 4.543e-03 / CHEB/ -1.741e-02 -3.299e-02 -1.417e-02 -1.578e-03 /

4323.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-26.8	-9.3	-3.3	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-27.2	-9.5	-3.4	-0.4

Chebyshev(coeffs=[[-19.5615,-0.584522,-0.335792,-0.131163],[24.9104,0.27471,0.15363,0.0571322],[0.210067,0.171816,0.0930463,0.0309157],[0.0867091,0.107953,0.0572512,0.0177746],[0.00569231,-0.00028505,0.00319808,0.00391081],[-0.0163752,-0.0314441,-0.0139893,-0.00200355]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 77.72
S298 (cal/mol*K) = 53.74
G298 (kcal/mol) = 61.70

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H7(628); H(25), C3H4(73); C7H10(1)+H(25)(+M)=>C3H4(73)+C4H7(628)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.956e+01 -5.845e-01 -3.358e-01 -1.312e-01 / CHEB/ 2.491e+01 2.747e-01 1.536e-01 5.713e-02 / CHEB/ 2.101e-01 1.718e-01 9.305e-02 3.092e-02 / CHEB/ 8.671e-02 1.080e-01 5.725e-02 1.777e-02 / CHEB/ 5.692e-03 -2.850e-04 3.198e-03 3.911e-03 / CHEB/ -1.638e-02 -3.144e-02 -1.399e-02 -2.004e-03 /

4324.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.5	-9.5	-4.7	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-24.2	-10.0	-4.9	-2.4

Chebyshev(coeffs=[[-16.7162,-0.86355,-0.462003,-0.152109],[19.9895,0.423344,0.220483,0.0668231],[0.254149,0.239629,0.117695,0.0301474],[0.10491,0.149276,0.0709287,0.0156145],[0.0127108,0.0094564,0.0104919,0.00746101],[-0.0144121,-0.0379126,-0.013465,0.000902061]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.50
S298 (cal/mol*K) = 29.65
G298 (kcal/mol) = 51.67

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(629); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(629)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.672e+01 -8.635e-01 -4.620e-01 -1.521e-01 / CHEB/ 1.999e+01 4.233e-01 2.205e-01 6.682e-02 / CHEB/ 2.541e-01 2.396e-01 1.177e-01 3.015e-02 / CHEB/ 1.049e-01 1.493e-01 7.093e-02 1.561e-02 / CHEB/ 1.271e-02 9.456e-03 1.049e-02 7.461e-03 / CHEB/ -1.441e-02 -3.791e-02 -1.346e-02 9.021e-04 /

4325.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.1	-13.3	-6.9	-3.8
log₁₀(k(10 bar)/[mole,m,s])	-32.5	-13.5	-7.0	-3.8

Chebyshev(coeffs=[[-24.7456,-0.504995,-0.296774,-0.121577],[26.6967,0.233015,0.133294,0.0522002],[0.188469,0.150661,0.084246,0.0302139],[0.0768932,0.095015,0.0521534,0.0177565],[0.00196225,-0.00173529,0.00167147,0.00283791],[-0.0175606,-0.028362,-0.0134011,-0.00265432]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.10
S298 (cal/mol*K) = 37.85
G298 (kcal/mol) = 71.82

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(630); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(630)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.475e+01 -5.050e-01 -2.968e-01 -1.216e-01 / CHEB/ 2.670e+01 2.330e-01 1.333e-01 5.220e-02 / CHEB/ 1.885e-01 1.507e-01 8.425e-02 3.021e-02 / CHEB/ 7.689e-02 9.501e-02 5.215e-02 1.776e-02 / CHEB/ 1.962e-03 -1.735e-03 1.671e-03 2.838e-03 / CHEB/ -1.756e-02 -2.836e-02 -1.340e-02 -2.654e-03 /

4326.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.4	-13.9	-7.2	-3.9
log₁₀(k(10 bar)/[mole,m,s])	-33.8	-14.1	-7.3	-3.9

Chebyshev(coeffs=[[-25.9664,-0.469712,-0.278933,-0.116645],[27.7546,0.214456,0.123953,0.0495675],[0.218606,0.141092,0.0800802,0.0297256],[0.0838079,0.0892407,0.0497525,0.0176245],[0.00407365,-0.00215745,0.00111017,0.00239009],[-0.0167097,-0.0268507,-0.0130286,-0.00289453]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.10
S298 (cal/mol*K) = 35.15
G298 (kcal/mol) = 75.63

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(631); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(631)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.597e+01 -4.697e-01 -2.789e-01 -1.166e-01 / CHEB/ 2.775e+01 2.145e-01 1.240e-01 4.957e-02 / CHEB/ 2.186e-01 1.411e-01 8.008e-02 2.973e-02 / CHEB/ 8.381e-02 8.924e-02 4.975e-02 1.762e-02 / CHEB/ 4.074e-03 -2.157e-03 1.110e-03 2.390e-03 / CHEB/ -1.671e-02 -2.685e-02 -1.303e-02 -2.895e-03 /

4327.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.9	-14.3	-7.6	-4.2
log₁₀(k(10 bar)/[mole,m,s])	-34.2	-14.5	-7.7	-4.2

Chebyshev(coeffs=[[-26.389,-0.470986,-0.279583,-0.11683],[27.8113,0.215132,0.124296,0.0496679],[0.238734,0.141434,0.0802313,0.0297448],[0.089787,0.0894493,0.0498408,0.0176309],[0.00606373,-0.00214453,0.0011291,0.00240582],[-0.016013,-0.0269065,-0.0130432,-0.00288651]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.10
S298 (cal/mol*K) = 35.15
G298 (kcal/mol) = 75.63

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(632); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(632)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.639e+01 -4.710e-01 -2.796e-01 -1.168e-01 / CHEB/ 2.781e+01 2.151e-01 1.243e-01 4.967e-02 / CHEB/ 2.387e-01 1.414e-01 8.023e-02 2.974e-02 / CHEB/ 8.979e-02 8.945e-02 4.984e-02 1.763e-02 / CHEB/ 6.064e-03 -2.145e-03 1.129e-03 2.406e-03 / CHEB/ -1.601e-02 -2.691e-02 -1.304e-02 -2.887e-03 /

4328.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.5	-6.1	-3.2	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-6.9	-3.5	-1.8

Chebyshev(coeffs=[[-8.34419,-1.76571,-0.773699,-0.150003],[12.0189,1.09832,0.439885,0.0511348],[0.403801,0.346056,0.149522,0.0300355],[0.111021,0.180413,0.0685266,0.00579586],[0.00521278,0.0388083,0.0260179,0.00733481],[-0.018748,-0.0277391,-0.000737829,0.00623568]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.27
S298 (cal/mol*K) = 5.04
G298 (kcal/mol) = 1.77

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(633); H(25), C7H11(633); C7H10(1)+H(25)(+M)=>C7H11(633)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.344e+00 -1.766e+00 -7.737e-01 -1.500e-01 / CHEB/ 1.202e+01 1.098e+00 4.399e-01 5.113e-02 / CHEB/ 4.038e-01 3.461e-01 1.495e-01 3.004e-02 / CHEB/ 1.110e-01 1.804e-01 6.853e-02 5.796e-03 / CHEB/ 5.213e-03 3.881e-02 2.602e-02 7.335e-03 / CHEB/ -1.875e-02 -2.774e-02 -7.378e-04 6.236e-03 /

4329.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.1	-5.7	-1.3	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-19.8	-6.2	-1.5	+0.8

Chebyshev(coeffs=[[-12.5013,-0.869326,-0.464476,-0.152423],[19.1631,0.426567,0.221868,0.0669881],[0.0907407,0.240889,0.118101,0.0300924],[0.0568562,0.149997,0.071122,0.0155386],[-0.00322012,0.00971131,0.0106575,0.00751841],[-0.0200436,-0.037967,-0.0134146,0.000965614]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.58
S298 (cal/mol*K) = 49.97
G298 (kcal/mol) = 43.69

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H7(210); H(25), C2H4(634); C7H10(1)+H(25)(+M)=>C5H7(210)+C2H4(634)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.250e+01 -8.693e-01 -4.645e-01 -1.524e-01 / CHEB/ 1.916e+01 4.266e-01 2.219e-01 6.699e-02 / CHEB/ 9.074e-02 2.409e-01 1.181e-01 3.009e-02 / CHEB/ 5.686e-02 1.500e-01 7.112e-02 1.554e-02 / CHEB/ -3.220e-03 9.711e-03 1.066e-02 7.518e-03 / CHEB/ -2.004e-02 -3.797e-02 -1.341e-02 9.656e-04 /

4330.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.9	-13.3	-6.8	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-33.2	-13.6	-6.9	-3.6

Chebyshev(coeffs=[[-25.474,-0.451938,-0.269815,-0.113997],[27.7263,0.205095,0.11917,0.0481403],[0.104632,0.136231,0.0779176,0.0294322],[0.0491689,0.0863268,0.0485095,0.0175245],[-0.00747698,-0.00231817,0.000857055,0.00217401],[-0.020707,-0.0260583,-0.0128142,-0.00300205]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.82
S298 (cal/mol*K) = 44.38
G298 (kcal/mol) = 73.59

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(635); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(635)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.547e+01 -4.519e-01 -2.698e-01 -1.140e-01 / CHEB/ 2.773e+01 2.051e-01 1.192e-01 4.814e-02 / CHEB/ 1.046e-01 1.362e-01 7.792e-02 2.943e-02 / CHEB/ 4.917e-02 8.633e-02 4.851e-02 1.752e-02 / CHEB/ -7.477e-03 -2.318e-03 8.571e-04 2.174e-03 / CHEB/ -2.071e-02 -2.606e-02 -1.281e-02 -3.002e-03 /

4331.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-41.8	-17.1	-8.9	-4.9
log₁₀(k(10 bar)/[mole,m,s])	-42.0	-17.3	-9.0	-4.9

Chebyshev(coeffs=[[-33.8894,-0.250455,-0.159561,-0.0758878],[34.9322,0.099685,0.0618575,0.0280138],[0.0897134,0.0792219,0.0497351,0.0228952],[0.0262282,0.0527034,0.0324071,0.0143149],[-0.0150463,-0.00178889,-0.000407185,0.000442772],[-0.0210464,-0.0157918,-0.00904183,-0.00337102]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 101.53
S298 (cal/mol*K) = 45.74
G298 (kcal/mol) = 87.90

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(636); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>CH2(T)(82)+C6H9(636)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.389e+01 -2.505e-01 -1.596e-01 -7.589e-02 / CHEB/ 3.493e+01 9.968e-02 6.186e-02 2.801e-02 / CHEB/ 8.971e-02 7.922e-02 4.974e-02 2.290e-02 / CHEB/ 2.623e-02 5.270e-02 3.241e-02 1.431e-02 / CHEB/ -1.505e-02 -1.789e-03 -4.072e-04 4.428e-04 / CHEB/ -2.105e-02 -1.579e-02 -9.042e-03 -3.371e-03 /

4332.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.2	-13.3	-6.7	-3.3
log₁₀(k(10 bar)/[mole,m,s])	-32.6	-13.5	-6.8	-3.3

Chebyshev(coeffs=[[-24.6225,-0.516078,-0.301805,-0.122449],[26.7034,0.259097,0.146918,0.056365],[0.424458,0.150613,0.0843618,0.0303836],[0.143865,0.0909843,0.0501035,0.017205],[0.0222204,-0.00542344,-4.52766e-05,0.00252855],[-0.011311,-0.0296925,-0.0141308,-0.00289804]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.70
S298 (cal/mol*K) = 35.90
G298 (kcal/mol) = 71.00

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(637); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(637)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.462e+01 -5.161e-01 -3.018e-01 -1.224e-01 / CHEB/ 2.670e+01 2.591e-01 1.469e-01 5.636e-02 / CHEB/ 4.245e-01 1.506e-01 8.436e-02 3.038e-02 / CHEB/ 1.439e-01 9.098e-02 5.010e-02 1.721e-02 / CHEB/ 2.222e-02 -5.423e-03 -4.528e-05 2.529e-03 / CHEB/ -1.131e-02 -2.969e-02 -1.413e-02 -2.898e-03 /

4333.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.6	-4.7	-1.6	+0.0
log₁₀(k(10 bar)/[mole,m,s])	-14.8	-5.5	-1.9	-0.0

Chebyshev(coeffs=[[-7.31722,-1.6617,-0.745651,-0.155678],[12.6771,1.03274,0.428211,0.0600264],[0.453516,0.333986,0.145915,0.0297694],[0.131833,0.178011,0.0690363,0.00616342],[0.0142899,0.0342564,0.0244548,0.00795538],[-0.0148905,-0.0315197,-0.00295569,0.00612213]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.75
S298 (cal/mol*K) = 29.11
G298 (kcal/mol) = 23.07

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(638); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(638)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.317e+00 -1.662e+00 -7.457e-01 -1.557e-01 / CHEB/ 1.268e+01 1.033e+00 4.282e-01 6.003e-02 / CHEB/ 4.535e-01 3.340e-01 1.459e-01 2.977e-02 / CHEB/ 1.318e-01 1.780e-01 6.904e-02 6.163e-03 / CHEB/ 1.429e-02 3.426e-02 2.445e-02 7.955e-03 / CHEB/ -1.489e-02 -3.152e-02 -2.956e-03 6.122e-03 /

4334.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	-0.4	+1.2	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-1.4	+0.7	+1.6

Chebyshev(coeffs=[[0.427237,-2.73235,-0.69665,0.00325069],[6.95928,2.06055,0.256651,-0.126338],[0.288894,0.224,0.171071,0.0182135],[-0.0265494,0.0919375,0.0470147,0.0134903],[-0.0351368,0.069803,0.0300357,0.00456585],[-0.0268218,0.0159522,0.0190281,0.00710227]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.59
S298 (cal/mol*K) = 9.44
G298 (kcal/mol) = -15.40

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(639); H(25), C7H11(639); C7H10(1)+H(25)(+M)=>C7H11(639)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.272e-01 -2.732e+00 -6.967e-01 3.251e-03 / CHEB/ 6.959e+00 2.061e+00 2.567e-01 -1.263e-01 / CHEB/ 2.889e-01 2.240e-01 1.711e-01 1.821e-02 / CHEB/ -2.655e-02 9.194e-02 4.701e-02 1.349e-02 / CHEB/ -3.514e-02 6.980e-02 3.004e-02 4.566e-03 / CHEB/ -2.682e-02 1.595e-02 1.903e-02 7.102e-03 /

4335.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-41.5	-16.7	-8.4	-4.4
log₁₀(k(10 bar)/[mole,m,s])	-41.6	-16.8	-8.5	-4.4

Chebyshev(coeffs=[[-33.5127,-0.247963,-0.15811,-0.0753136],[35.0555,0.098403,0.0611187,0.0277246],[0.0902873,0.0785004,0.0493397,0.0227657],[0.0260861,0.052273,0.0321782,0.0142459],[-0.0150737,-0.00175781,-0.000403142,0.000432198],[-0.021003,-0.0156519,-0.00897879,-0.00336328]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 102.12
S298 (cal/mol*K) = 48.77
G298 (kcal/mol) = 87.58

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(640); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(640)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.351e+01 -2.480e-01 -1.581e-01 -7.531e-02 / CHEB/ 3.506e+01 9.840e-02 6.112e-02 2.772e-02 / CHEB/ 9.029e-02 7.850e-02 4.934e-02 2.277e-02 / CHEB/ 2.609e-02 5.227e-02 3.218e-02 1.425e-02 / CHEB/ -1.507e-02 -1.758e-03 -4.031e-04 4.322e-04 / CHEB/ -2.100e-02 -1.565e-02 -8.979e-03 -3.363e-03 /

4336.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.2	+0.9	+2.5	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-6.1	-0.1	+2.0	+3.0

Chebyshev(coeffs=[[1.80341,-2.7894,-0.672514,0.0046745],[6.88909,2.16335,0.230544,-0.126013],[0.37226,0.207684,0.184625,0.0166141],[-0.00284577,0.0842096,0.0473179,0.0152817],[-0.0263027,0.0688784,0.0284128,0.00503302],[-0.02343,0.0150799,0.0183376,0.00703412]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.65
S298 (cal/mol*K) = 31.64
G298 (kcal/mol) = -0.78

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(695); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(695)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.803e+00 -2.789e+00 -6.725e-01 4.675e-03 / CHEB/ 6.889e+00 2.163e+00 2.305e-01 -1.260e-01 / CHEB/ 3.723e-01 2.077e-01 1.846e-01 1.661e-02 / CHEB/ -2.846e-03 8.421e-02 4.732e-02 1.528e-02 / CHEB/ -2.630e-02 6.888e-02 2.841e-02 5.033e-03 / CHEB/ -2.343e-02 1.508e-02 1.834e-02 7.034e-03 /

4337.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+2.5	+3.7	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-3.9	+1.3	+3.1	+3.9

Chebyshev(coeffs=[[4.08089,-3.16865,-0.601093,0.0136377],[5.67135,2.44593,0.0872942,-0.123349],[0.257368,0.242162,0.212045,-0.00341126],[-0.0398007,0.0694314,0.0603499,0.0165574],[-0.040913,0.0680248,0.0259277,0.00625757],[-0.0315013,0.0232427,0.0171383,0.00603183]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -45.21
S298 (cal/mol*K) = 9.58
G298 (kcal/mol) = -48.06

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(696); H(25), C7H11(696); C7H10(1)+H(25)(+M)=>C7H11(696)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.081e+00 -3.169e+00 -6.011e-01 1.364e-02 / CHEB/ 5.671e+00 2.446e+00 8.729e-02 -1.233e-01 / CHEB/ 2.574e-01 2.422e-01 2.120e-01 -3.411e-03 / CHEB/ -3.980e-02 6.943e-02 6.035e-02 1.656e-02 / CHEB/ -4.091e-02 6.802e-02 2.593e-02 6.258e-03 / CHEB/ -3.150e-02 2.324e-02 1.714e-02 6.032e-03 /

4338.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-1.7	+0.7	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-10.3	-2.5	+0.4	+1.7

Chebyshev(coeffs=[[-2.88625,-1.85429,-0.723305,-0.0900111],[10.3185,1.25629,0.402189,-0.0164675],[0.273303,0.224481,0.100095,0.0190292],[0.0131506,0.127329,0.0445819,0.00222403],[-0.0174589,0.059601,0.0362739,0.0087958],[-0.0195164,-0.000396087,0.0143863,0.0105727]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.57
S298 (cal/mol*K) = 11.15
G298 (kcal/mol) = -14.89

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(697); H(25), C7H11(697); C7H10(1)+H(25)(+M)=>C7H11(697)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.886e+00 -1.854e+00 -7.233e-01 -9.001e-02 / CHEB/ 1.032e+01 1.256e+00 4.022e-01 -1.647e-02 / CHEB/ 2.733e-01 2.245e-01 1.001e-01 1.903e-02 / CHEB/ 1.315e-02 1.273e-01 4.458e-02 2.224e-03 / CHEB/ -1.746e-02 5.960e-02 3.627e-02 8.796e-03 / CHEB/ -1.952e-02 -3.961e-04 1.439e-02 1.057e-02 /

4339.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.5	+3.7	+4.4	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+2.4	+3.8	+4.3

Chebyshev(coeffs=[[6.20927,-3.68163,-0.475223,0.0114673],[4.15483,2.78099,-0.108166,-0.0985543],[0.102245,0.363082,0.217927,-0.0263765],[-0.0566398,0.0555151,0.08814,0.0116661],[-0.0384614,0.0490751,0.0313353,0.00700999],[-0.0331243,0.0277877,0.0138355,0.00640792]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.77
S298 (cal/mol*K) = 10.05
G298 (kcal/mol) = -23.76

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(698); H(25), C7H11(698); C7H10(1)+H(25)(+M)=>C7H11(698)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.209e+00 -3.682e+00 -4.752e-01 1.147e-02 / CHEB/ 4.155e+00 2.781e+00 -1.082e-01 -9.855e-02 / CHEB/ 1.022e-01 3.631e-01 2.179e-01 -2.638e-02 / CHEB/ -5.664e-02 5.552e-02 8.814e-02 1.167e-02 / CHEB/ -3.846e-02 4.908e-02 3.134e-02 7.010e-03 / CHEB/ -3.312e-02 2.779e-02 1.384e-02 6.408e-03 /

4340.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.8	+3.8	+4.4	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-1.7	+2.4	+3.7	+4.2

Chebyshev(coeffs=[[6.4664,-3.78259,-0.456723,0.0121362],[3.82548,2.80742,-0.140773,-0.0949819],[0.028887,0.396747,0.210512,-0.0296973],[-0.0746393,0.0613167,0.0920557,0.0098163],[-0.0423661,0.0452065,0.0338417,0.0063908],[-0.0343939,0.027193,0.0140599,0.00610587]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.77
S298 (cal/mol*K) = 10.05
G298 (kcal/mol) = -23.76

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(699); H(25), C7H11(699); C7H10(1)+H(25)(+M)=>C7H11(699)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.466e+00 -3.783e+00 -4.567e-01 1.214e-02 / CHEB/ 3.825e+00 2.807e+00 -1.408e-01 -9.498e-02 / CHEB/ 2.889e-02 3.967e-01 2.105e-01 -2.970e-02 / CHEB/ -7.464e-02 6.132e-02 9.206e-02 9.816e-03 / CHEB/ -4.237e-02 4.521e-02 3.384e-02 6.391e-03 / CHEB/ -3.439e-02 2.719e-02 1.406e-02 6.106e-03 /

4341.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.6	-3.2	-0.6	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-4.0	-1.0	+0.5

Chebyshev(coeffs=[[-4.41667,-1.87134,-0.715936,-0.0835016],[10.4265,1.33393,0.411996,-0.0234083],[0.43398,0.206174,0.102855,0.0236165],[0.0573106,0.119782,0.0432476,0.0034171],[-0.000781025,0.0567236,0.0354341,0.00912781],[-0.0123044,-0.0035785,0.0130664,0.0107204]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.37
S298 (cal/mol*K) = 10.73
G298 (kcal/mol) = -12.56

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(700); H(25), C7H11(700); C7H10(1)+H(25)(+M)=>C7H11(700)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.417e+00 -1.871e+00 -7.159e-01 -8.350e-02 / CHEB/ 1.043e+01 1.334e+00 4.120e-01 -2.341e-02 / CHEB/ 4.340e-01 2.062e-01 1.029e-01 2.362e-02 / CHEB/ 5.731e-02 1.198e-01 4.325e-02 3.417e-03 / CHEB/ -7.810e-04 5.672e-02 3.543e-02 9.128e-03 / CHEB/ -1.230e-02 -3.578e-03 1.307e-02 1.072e-02 /

4342.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-2.5	+0.4	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-3.2	+0.1	+1.7

Chebyshev(coeffs=[[-5.15896,-1.45582,-0.645956,-0.128164],[12.5776,0.898319,0.357076,0.0358623],[0.221005,0.216993,0.085695,0.00980533],[0.0183011,0.140231,0.0517472,0.00160988],[-0.0171972,0.0522049,0.0353183,0.0125235],[-0.0190544,-0.00854051,0.00935212,0.0108616]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.79
S298 (cal/mol*K) = 37.63
G298 (kcal/mol) = 23.58

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(701); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(701)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.159e+00 -1.456e+00 -6.460e-01 -1.282e-01 / CHEB/ 1.258e+01 8.983e-01 3.571e-01 3.586e-02 / CHEB/ 2.210e-01 2.170e-01 8.570e-02 9.805e-03 / CHEB/ 1.830e-02 1.402e-01 5.175e-02 1.610e-03 / CHEB/ -1.720e-02 5.220e-02 3.532e-02 1.252e-02 / CHEB/ -1.905e-02 -8.541e-03 9.352e-03 1.086e-02 /

4343.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.3	-10.5	-4.2	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-29.7	-10.7	-4.3	-1.1

Chebyshev(coeffs=[[-21.9182,-0.515885,-0.301865,-0.121968],[26.5767,0.256419,0.144619,0.0544188],[0.178907,0.129668,0.0703814,0.0227118],[0.0370753,0.0823189,0.0447443,0.0146211],[-0.00924962,3.16494e-05,0.00429941,0.00552506],[-0.0174357,-0.021682,-0.00871223,0.000120213]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.63
S298 (cal/mol*K) = 44.19
G298 (kcal/mol) = 68.46

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(151); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.192e+01 -5.159e-01 -3.019e-01 -1.220e-01 / CHEB/ 2.658e+01 2.564e-01 1.446e-01 5.442e-02 / CHEB/ 1.789e-01 1.297e-01 7.038e-02 2.271e-02 / CHEB/ 3.708e-02 8.232e-02 4.474e-02 1.462e-02 / CHEB/ -9.250e-03 3.165e-05 4.299e-03 5.525e-03 / CHEB/ -1.744e-02 -2.168e-02 -8.712e-03 1.202e-04 /

4344.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.1	-13.8	-7.0	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-34.4	-14.0	-7.1	-3.7

Chebyshev(coeffs=[[-26.5917,-0.442931,-0.266907,-0.114487],[28.7644,0.210655,0.123184,0.0501609],[0.121833,0.1166,0.06624,0.024167],[0.0139196,0.0734174,0.0412994,0.0147927],[-0.0217975,-0.00209272,0.00165334,0.00328234],[-0.0212483,-0.0201458,-0.00906832,-0.00105578]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 89.53
S298 (cal/mol*K) = 43.66
G298 (kcal/mol) = 76.52

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(702); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(702)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.659e+01 -4.429e-01 -2.669e-01 -1.145e-01 / CHEB/ 2.876e+01 2.107e-01 1.232e-01 5.016e-02 / CHEB/ 1.218e-01 1.166e-01 6.624e-02 2.417e-02 / CHEB/ 1.392e-02 7.342e-02 4.130e-02 1.479e-02 / CHEB/ -2.180e-02 -2.093e-03 1.653e-03 3.282e-03 / CHEB/ -2.125e-02 -2.015e-02 -9.068e-03 -1.056e-03 /

4345.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.5	-11.7	-4.6	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-33.7	-11.8	-4.6	-1.2

Chebyshev(coeffs=[[-25.9294,-0.358376,-0.222566,-0.101061],[30.8833,0.162285,0.0981029,0.0425052],[-0.04773,0.0995455,0.0595267,0.0245894],[-0.0390604,0.0622451,0.0365251,0.0145129],[-0.0397975,-0.00387022,-0.000649279,0.00126069],[-0.0274279,-0.0182052,-0.00922546,-0.00225596]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 97.69
S298 (cal/mol*K) = 59.68
G298 (kcal/mol) = 79.90

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(703); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(703)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.593e+01 -3.584e-01 -2.226e-01 -1.011e-01 / CHEB/ 3.088e+01 1.623e-01 9.810e-02 4.251e-02 / CHEB/ -4.773e-02 9.955e-02 5.953e-02 2.459e-02 / CHEB/ -3.906e-02 6.225e-02 3.653e-02 1.451e-02 / CHEB/ -3.980e-02 -3.870e-03 -6.493e-04 1.261e-03 / CHEB/ -2.743e-02 -1.821e-02 -9.225e-03 -2.256e-03 /

4346.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.3	-10.8	-4.6	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-29.7	-11.0	-4.7	-1.6

Chebyshev(coeffs=[[-22.0057,-0.52886,-0.307999,-0.123181],[26.2482,0.258126,0.14488,0.0539078],[0.142429,0.132372,0.0710178,0.0221587],[0.0223447,0.0853894,0.0459543,0.014598],[-0.0174864,0.00175493,0.00545417,0.00609767],[-0.0196352,-0.0214514,-0.00828261,0.000524928]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.33
S298 (cal/mol*K) = 42.56
G298 (kcal/mol) = 67.65

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(704); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(704)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.201e+01 -5.289e-01 -3.080e-01 -1.232e-01 / CHEB/ 2.625e+01 2.581e-01 1.449e-01 5.391e-02 / CHEB/ 1.424e-01 1.324e-01 7.102e-02 2.216e-02 / CHEB/ 2.234e-02 8.539e-02 4.595e-02 1.460e-02 / CHEB/ -1.749e-02 1.755e-03 5.454e-03 6.098e-03 / CHEB/ -1.964e-02 -2.145e-02 -8.283e-03 5.249e-04 /

4347.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-29.3	-10.8	-4.6	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-29.7	-11.0	-4.7	-1.6

H298 (kcal/mol) = 80.33
S298 (cal/mol*K) = 42.56
G298 (kcal/mol) = 67.65

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(705); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(705)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.201e+01 -5.289e-01 -3.080e-01 -1.232e-01 / CHEB/ 2.625e+01 2.581e-01 1.449e-01 5.391e-02 / CHEB/ 1.424e-01 1.324e-01 7.102e-02 2.216e-02 / CHEB/ 2.234e-02 8.539e-02 4.595e-02 1.460e-02 / CHEB/ -1.749e-02 1.755e-03 5.454e-03 6.098e-03 / CHEB/ -1.964e-02 -2.145e-02 -8.283e-03 5.249e-04 /

4348.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.1	-13.2	-6.3	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-34.4	-13.4	-6.3	-2.9

Chebyshev(coeffs=[[-26.4941,-0.423277,-0.256927,-0.111767],[29.4878,0.199486,0.117618,0.0486735],[0.141046,0.112803,0.0648841,0.0244275],[0.0189597,0.0707923,0.0402226,0.0147794],[-0.0203369,-0.00267895,0.000987437,0.00273819],[-0.0207267,-0.019758,-0.00916558,-0.00137304]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 91.73
S298 (cal/mol*K) = 43.24
G298 (kcal/mol) = 78.85

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(706); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(706)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.649e+01 -4.233e-01 -2.569e-01 -1.118e-01 / CHEB/ 2.949e+01 1.995e-01 1.176e-01 4.867e-02 / CHEB/ 1.410e-01 1.128e-01 6.488e-02 2.443e-02 / CHEB/ 1.896e-02 7.079e-02 4.022e-02 1.478e-02 / CHEB/ -2.034e-02 -2.679e-03 9.874e-04 2.738e-03 / CHEB/ -2.073e-02 -1.976e-02 -9.166e-03 -1.373e-03 /

4349.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.3	-13.0	-6.3	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-33.6	-13.2	-6.4	-3.1

Chebyshev(coeffs=[[-25.916,-0.429176,-0.259944,-0.11261],[28.8029,0.202846,0.119308,0.0491411],[0.0324086,0.113952,0.0653031,0.0243586],[-0.0128349,0.0715772,0.0405472,0.0147862],[-0.0308074,-0.0025144,0.00117897,0.002897],[-0.0244193,-0.0198782,-0.00913999,-0.00127997]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 89.99
S298 (cal/mol*K) = 51.22
G298 (kcal/mol) = 74.73

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(236); H(25), CH2(137); C7H10(1)+H(25)(+M)=>C6H9(236)+CH2(137)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.592e+01 -4.292e-01 -2.599e-01 -1.126e-01 / CHEB/ 2.880e+01 2.028e-01 1.193e-01 4.914e-02 / CHEB/ 3.241e-02 1.140e-01 6.530e-02 2.436e-02 / CHEB/ -1.283e-02 7.158e-02 4.055e-02 1.479e-02 / CHEB/ -3.081e-02 -2.514e-03 1.179e-03 2.897e-03 / CHEB/ -2.442e-02 -1.988e-02 -9.140e-03 -1.280e-03 /

4350.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+1.0	+2.4	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-5.7	-0.1	+1.9	+2.8

Chebyshev(coeffs=[[2.11532,-2.89196,-0.668536,0.0104527],[6.45958,2.19611,0.199673,-0.130542],[0.267925,0.227272,0.185791,0.0112939],[-0.037344,0.0849961,0.0504093,0.0149398],[-0.0399511,0.0704569,0.028245,0.0047858],[-0.0298187,0.0187497,0.0187378,0.00642557]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -45.21
S298 (cal/mol*K) = 9.58
G298 (kcal/mol) = -48.06

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(707); H(25), C7H11(707); C7H10(1)+H(25)(+M)=>C7H11(707)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.115e+00 -2.892e+00 -6.685e-01 1.045e-02 / CHEB/ 6.460e+00 2.196e+00 1.997e-01 -1.305e-01 / CHEB/ 2.679e-01 2.273e-01 1.858e-01 1.129e-02 / CHEB/ -3.734e-02 8.500e-02 5.041e-02 1.494e-02 / CHEB/ -3.995e-02 7.046e-02 2.825e-02 4.786e-03 / CHEB/ -2.982e-02 1.875e-02 1.874e-02 6.426e-03 /

4351.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.2	+0.5	+1.9	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-6.2	-0.6	+1.4	+2.2

Chebyshev(coeffs=[[1.60426,-2.86978,-0.682153,0.0108776],[6.47481,2.14353,0.212203,-0.132182],[0.220895,0.236469,0.178308,0.0119935],[-0.0520972,0.0886419,0.0500051,0.0140034],[-0.0460623,0.0706367,0.0288751,0.00442264],[-0.0322875,0.0191946,0.0190415,0.00634531]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.52
S298 (cal/mol*K) = 9.63
G298 (kcal/mol) = -10.39

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(708); H(25), C7H11(708); C7H10(1)+H(25)(+M)=>C7H11(708)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.604e+00 -2.870e+00 -6.822e-01 1.088e-02 / CHEB/ 6.475e+00 2.144e+00 2.122e-01 -1.322e-01 / CHEB/ 2.209e-01 2.365e-01 1.783e-01 1.199e-02 / CHEB/ -5.210e-02 8.864e-02 5.001e-02 1.400e-02 / CHEB/ -4.606e-02 7.064e-02 2.888e-02 4.423e-03 / CHEB/ -3.229e-02 1.919e-02 1.904e-02 6.345e-03 /

4352.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.9	-6.9	-2.0	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-22.4	-7.3	-2.2	+0.3

Chebyshev(coeffs=[[-14.9945,-0.706886,-0.38149,-0.126831],[21.2074,0.348355,0.176802,0.0484838],[0.0620385,0.162811,0.0774308,0.0160227],[0.0021426,0.112111,0.0551803,0.0133758],[-0.0196431,0.0148944,0.0159233,0.0121881],[-0.0202058,-0.0221923,-0.00529241,0.00407932]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 56.80
S298 (cal/mol*K) = 48.66
G298 (kcal/mol) = 42.30

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(574); H(25), CH2(T)(82); C7H10(1)+H(25)(+M)=>CH2(T)(82)+C6H9(574)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.499e+01 -7.069e-01 -3.815e-01 -1.268e-01 / CHEB/ 2.121e+01 3.484e-01 1.768e-01 4.848e-02 / CHEB/ 6.204e-02 1.628e-01 7.743e-02 1.602e-02 / CHEB/ 2.143e-03 1.121e-01 5.518e-02 1.338e-02 / CHEB/ -1.964e-02 1.489e-02 1.592e-02 1.219e-02 / CHEB/ -2.021e-02 -2.219e-02 -5.292e-03 4.079e-03 /

4353.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.4	-14.7	-7.8	-4.4
log₁₀(k(10 bar)/[mole,m,s])	-35.7	-14.9	-7.9	-4.4

Chebyshev(coeffs=[[-27.8237,-0.428952,-0.259719,-0.112448],[29.2312,0.206851,0.121515,0.0499145],[0.166382,0.113503,0.0651708,0.024418],[0.0325788,0.0705432,0.04006,0.0147021],[-0.0106776,-0.00331263,0.000759951,0.00277616],[-0.0180962,-0.0201176,-0.00932171,-0.00138809]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 90.73
S298 (cal/mol*K) = 40.32
G298 (kcal/mol) = 78.72

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(709); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(709)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.782e+01 -4.290e-01 -2.597e-01 -1.124e-01 / CHEB/ 2.923e+01 2.069e-01 1.215e-01 4.991e-02 / CHEB/ 1.664e-01 1.135e-01 6.517e-02 2.442e-02 / CHEB/ 3.258e-02 7.054e-02 4.006e-02 1.470e-02 / CHEB/ -1.068e-02 -3.313e-03 7.600e-04 2.776e-03 / CHEB/ -1.810e-02 -2.012e-02 -9.322e-03 -1.388e-03 /

4380.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-4.0	-2.3	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-4.1	-2.4	-1.9

Chebyshev(coeffs=[[-4.45455,-0.70608,-0.238715,-0.0126166],[9.1781,0.630377,0.154954,-0.0329113],[-0.158145,0.105421,0.0717662,0.0200818],[-0.256905,-0.0480028,0.00213741,0.0162218],[-0.142403,-0.0374486,-0.0172091,0.000359926],[-0.0424665,-0.00964089,-0.00905704,-0.00442375]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.70
S298 (cal/mol*K) = 8.75
G298 (kcal/mol) = 27.10

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(896); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(896)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.455e+00 -7.061e-01 -2.387e-01 -1.262e-02 / CHEB/ 9.178e+00 6.304e-01 1.550e-01 -3.291e-02 / CHEB/ -1.581e-01 1.054e-01 7.177e-02 2.008e-02 / CHEB/ -2.569e-01 -4.800e-02 2.137e-03 1.622e-02 / CHEB/ -1.424e-01 -3.745e-02 -1.721e-02 3.599e-04 / CHEB/ -4.247e-02 -9.641e-03 -9.057e-03 -4.424e-03 /

4381.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.0	-2.0	-1.0	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-2.3	-1.1	-1.0

Chebyshev(coeffs=[[-0.709742,-0.987854,-0.208059,0.0111683],[6.24876,0.851184,0.0637783,-0.0596045],[0.0510705,0.15207,0.0965506,0.00381246],[-0.291002,-0.0567085,0.0241861,0.0227808],[-0.180371,-0.0487615,-0.0153407,0.00849757],[-0.0613453,-0.0117628,-0.0125241,-0.00319629]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.60
S298 (cal/mol*K) = -0.18
G298 (kcal/mol) = 16.66

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(897); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(897)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.097e-01 -9.879e-01 -2.081e-01 1.117e-02 / CHEB/ 6.249e+00 8.512e-01 6.378e-02 -5.960e-02 / CHEB/ 5.107e-02 1.521e-01 9.655e-02 3.812e-03 / CHEB/ -2.910e-01 -5.671e-02 2.419e-02 2.278e-02 / CHEB/ -1.804e-01 -4.876e-02 -1.534e-02 8.498e-03 / CHEB/ -6.135e-02 -1.176e-02 -1.252e-02 -3.196e-03 /

4382.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-3.7	-2.0	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-3.8	-2.0	-1.5

Chebyshev(coeffs=[[-4.2407,-0.703701,-0.23865,-0.012901],[9.33032,0.628665,0.155398,-0.0325331],[-0.131206,0.104805,0.0715138,0.0201768],[-0.248919,-0.0479687,0.00197306,0.0161372],[-0.139527,-0.0372445,-0.0172102,0.000280652],[-0.0412681,-0.00962928,-0.0090204,-0.00442244]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.10
S298 (cal/mol*K) = 8.02
G298 (kcal/mol) = 27.71

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(898); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(898)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.241e+00 -7.037e-01 -2.387e-01 -1.290e-02 / CHEB/ 9.330e+00 6.287e-01 1.554e-01 -3.253e-02 / CHEB/ -1.312e-01 1.048e-01 7.151e-02 2.018e-02 / CHEB/ -2.489e-01 -4.797e-02 1.973e-03 1.614e-02 / CHEB/ -1.395e-01 -3.724e-02 -1.721e-02 2.807e-04 / CHEB/ -4.127e-02 -9.629e-03 -9.020e-03 -4.422e-03 /

4383.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-3.7	-2.0	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-3.8	-2.0	-1.5

H298 (kcal/mol) = 30.10
S298 (cal/mol*K) = 8.02
G298 (kcal/mol) = 27.71

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(899); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(899)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.241e+00 -7.037e-01 -2.387e-01 -1.290e-02 / CHEB/ 9.330e+00 6.287e-01 1.554e-01 -3.253e-02 / CHEB/ -1.312e-01 1.048e-01 7.151e-02 2.018e-02 / CHEB/ -2.489e-01 -4.797e-02 1.973e-03 1.614e-02 / CHEB/ -1.395e-01 -3.724e-02 -1.721e-02 2.807e-04 / CHEB/ -4.127e-02 -9.629e-03 -9.020e-03 -4.422e-03 /

4384.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-2.4	-1.4	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-8.4	-2.7	-1.5	-1.5

Chebyshev(coeffs=[[-1.21714,-0.97693,-0.20886,0.0108621],[6.313,0.848898,0.068133,-0.059307],[0.0655949,0.147796,0.0969908,0.00515648],[-0.316252,-0.0568929,0.0230908,0.0229031],[-0.22922,-0.0470592,-0.0158137,0.00800013],[-0.0761218,-0.0113953,-0.0122242,-0.00337559]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.50
S298 (cal/mol*K) = -1.68
G298 (kcal/mol) = 16.00

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(216); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(216)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.217e+00 -9.769e-01 -2.089e-01 1.086e-02 / CHEB/ 6.313e+00 8.489e-01 6.813e-02 -5.931e-02 / CHEB/ 6.559e-02 1.478e-01 9.699e-02 5.156e-03 / CHEB/ -3.163e-01 -5.689e-02 2.309e-02 2.290e-02 / CHEB/ -2.292e-01 -4.706e-02 -1.581e-02 8.000e-03 / CHEB/ -7.612e-02 -1.140e-02 -1.222e-02 -3.376e-03 /

4385.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.0	-8.1	-5.2	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-18.3	-8.1	-5.2	-4.0

Chebyshev(coeffs=[[-11.5084,-0.399605,-0.193303,-0.0468423],[14.0008,0.368647,0.159644,0.0214203],[-0.21889,0.0571553,0.0401644,0.01951],[-0.183288,-0.0340683,-0.0105208,0.00370141],[-0.0932599,-0.0242411,-0.0139207,-0.00454838],[-0.0301578,-0.00482806,-0.00475782,-0.00333838]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.90
S298 (cal/mol*K) = 5.32
G298 (kcal/mol) = 45.32

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(900); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(900)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.151e+01 -3.996e-01 -1.933e-01 -4.684e-02 / CHEB/ 1.400e+01 3.686e-01 1.596e-01 2.142e-02 / CHEB/ -2.189e-01 5.716e-02 4.016e-02 1.951e-02 / CHEB/ -1.833e-01 -3.407e-02 -1.052e-02 3.701e-03 / CHEB/ -9.326e-02 -2.424e-02 -1.392e-02 -4.548e-03 / CHEB/ -3.016e-02 -4.828e-03 -4.758e-03 -3.338e-03 /

4386.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.0	-8.1	-5.2	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-18.3	-8.1	-5.2	-4.0

H298 (kcal/mol) = 46.90
S298 (cal/mol*K) = 5.32
G298 (kcal/mol) = 45.32

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(901); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(901)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.151e+01 -3.996e-01 -1.933e-01 -4.684e-02 / CHEB/ 1.400e+01 3.686e-01 1.596e-01 2.142e-02 / CHEB/ -2.189e-01 5.716e-02 4.016e-02 1.951e-02 / CHEB/ -1.833e-01 -3.407e-02 -1.052e-02 3.701e-03 / CHEB/ -9.326e-02 -2.424e-02 -1.392e-02 -4.548e-03 / CHEB/ -3.016e-02 -4.828e-03 -4.758e-03 -3.338e-03 /

4387.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-2.1	-1.4	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-2.3	-1.5	-1.6

Chebyshev(coeffs=[[-0.0953408,-1.05157,-0.194089,0.0112264],[5.12606,0.892513,0.0346367,-0.0569651],[-0.00781707,0.166752,0.0996894,-0.00304124],[-0.33162,-0.0572066,0.0305852,0.022882],[-0.199398,-0.0520775,-0.0135838,0.0107952],[-0.0707642,-0.0123998,-0.0133189,-0.00241706]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.48
S298 (cal/mol*K) = -13.75
G298 (kcal/mol) = 10.58

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(902); H(25), C7H10(902); C7H9(5)+H(25)(+M)=>C7H10(902)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.534e-02 -1.052e+00 -1.941e-01 1.123e-02 / CHEB/ 5.126e+00 8.925e-01 3.464e-02 -5.697e-02 / CHEB/ -7.817e-03 1.668e-01 9.969e-02 -3.041e-03 / CHEB/ -3.316e-01 -5.721e-02 3.059e-02 2.288e-02 / CHEB/ -1.994e-01 -5.208e-02 -1.358e-02 1.080e-02 / CHEB/ -7.076e-02 -1.240e-02 -1.332e-02 -2.417e-03 /

4388.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	-2.9	-1.7	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-9.1	-3.1	-1.7	-1.5

Chebyshev(coeffs=[[-2.14178,-0.89494,-0.225016,0.00701806],[7.17015,0.781325,0.10192,-0.056985],[-0.0241113,0.13628,0.0893378,0.0114813],[-0.276984,-0.0544763,0.0159795,0.0214994],[-0.168044,-0.0450535,-0.0166291,0.00549845],[-0.0544458,-0.0110964,-0.0113979,-0.00387927]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.88
S298 (cal/mol*K) = -13.75
G298 (kcal/mol) = 8.98

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(903); H(25), C7H10(903); C7H9(5)+H(25)(+M)=>C7H10(903)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.142e+00 -8.949e-01 -2.250e-01 7.018e-03 / CHEB/ 7.170e+00 7.813e-01 1.019e-01 -5.698e-02 / CHEB/ -2.411e-02 1.363e-01 8.934e-02 1.148e-02 / CHEB/ -2.770e-01 -5.448e-02 1.598e-02 2.150e-02 / CHEB/ -1.680e-01 -4.505e-02 -1.663e-02 5.498e-03 / CHEB/ -5.445e-02 -1.110e-02 -1.140e-02 -3.879e-03 /

4389.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	-2.5	-2.1	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-2.8	-2.2	-2.5

Chebyshev(coeffs=[[-0.00619662,-1.12909,-0.176328,0.00885684],[4.19593,0.930568,-0.00163323,-0.0501422],[0.01368,0.191402,0.0991488,-0.0120268],[-0.350499,-0.0560505,0.039572,0.021441],[-0.213021,-0.0570523,-0.00995315,0.0136568],[-0.0801107,-0.0136831,-0.0142489,-0.000864932]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.88
S298 (cal/mol*K) = -13.75
G298 (kcal/mol) = 8.98

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(904); H(25), C7H10(904); C7H9(5)+H(25)(+M)=>C7H10(904)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.197e-03 -1.129e+00 -1.763e-01 8.857e-03 / CHEB/ 4.196e+00 9.306e-01 -1.633e-03 -5.014e-02 / CHEB/ 1.368e-02 1.914e-01 9.915e-02 -1.203e-02 / CHEB/ -3.505e-01 -5.605e-02 3.957e-02 2.144e-02 / CHEB/ -2.130e-01 -5.705e-02 -9.953e-03 1.366e-02 / CHEB/ -8.011e-02 -1.368e-02 -1.425e-02 -8.649e-04 /

4390.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+2.7	+3.2	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-1.1	+2.2	+3.0	+3.0

Chebyshev(coeffs=[[6.1267,-1.28433,-0.16368,0.00424804],[3.09519,0.878932,-0.0661574,-0.0398704],[0.179261,0.220948,0.066123,-0.0250973],[-0.196962,-0.050184,0.045337,0.0106675],[-0.131591,-0.0608943,-0.00214765,0.0139934],[-0.0404598,-0.00748604,-0.0139688,0.000865152]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.25
S298 (cal/mol*K) = -7.88
G298 (kcal/mol) = -5.90

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(905); H(25), C7H10(905); C7H9(5)+H(25)(+M)=>C7H10(905)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.127e+00 -1.284e+00 -1.637e-01 4.248e-03 / CHEB/ 3.095e+00 8.789e-01 -6.616e-02 -3.987e-02 / CHEB/ 1.793e-01 2.209e-01 6.612e-02 -2.510e-02 / CHEB/ -1.970e-01 -5.018e-02 4.534e-02 1.067e-02 / CHEB/ -1.316e-01 -6.089e-02 -2.148e-03 1.399e-02 / CHEB/ -4.046e-02 -7.486e-03 -1.397e-02 8.652e-04 /

4391.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.3	-1.2	+0.7	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-1.3	+0.7	+1.4

Chebyshev(coeffs=[[-2.07805,-0.665912,-0.238859,-0.0180103],[9.95942,0.590631,0.161485,-0.0252593],[-0.137817,0.105789,0.0680676,0.0199072],[-0.221393,-0.0457574,0.000285887,0.0149297],[-0.127558,-0.0384324,-0.0169171,2.19617e-05],[-0.0412013,-0.00866751,-0.00874291,-0.00453227]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.18
S298 (cal/mol*K) = -3.24
G298 (kcal/mol) = 12.15

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(906); H(25), C7H10(906); C7H9(5)+H(25)(+M)=>C7H10(906)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.078e+00 -6.659e-01 -2.389e-01 -1.801e-02 / CHEB/ 9.959e+00 5.906e-01 1.615e-01 -2.526e-02 / CHEB/ -1.378e-01 1.058e-01 6.807e-02 1.991e-02 / CHEB/ -2.214e-01 -4.576e-02 2.859e-04 1.493e-02 / CHEB/ -1.276e-01 -3.843e-02 -1.692e-02 2.196e-05 / CHEB/ -4.120e-02 -8.668e-03 -8.743e-03 -4.532e-03 /

4392.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.3	-1.2	+0.7	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-1.3	+0.7	+1.4

H298 (kcal/mol) = 11.18
S298 (cal/mol*K) = -4.61
G298 (kcal/mol) = 12.56

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(907); H(25), C7H10(907); C7H9(5)+H(25)(+M)=>C7H10(907)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.078e+00 -6.659e-01 -2.389e-01 -1.801e-02 / CHEB/ 9.959e+00 5.906e-01 1.615e-01 -2.526e-02 / CHEB/ -1.378e-01 1.058e-01 6.807e-02 1.991e-02 / CHEB/ -2.214e-01 -4.576e-02 2.859e-04 1.493e-02 / CHEB/ -1.276e-01 -3.843e-02 -1.692e-02 2.196e-05 / CHEB/ -4.120e-02 -8.668e-03 -8.743e-03 -4.532e-03 /

4393.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+4.5	+4.2	+3.4
log₁₀(k(10 bar)/[mole,m,s])	+1.4	+4.1	+4.0	+3.2

Chebyshev(coeffs=[[8.37519,-1.28637,-0.154225,0.00414486],[1.87712,0.913781,-0.062213,-0.0368611],[-0.233614,0.26724,0.0701454,-0.0254543],[-0.399811,-0.0306474,0.0558834,0.0102016],[-0.253058,-0.0680282,0.00648917,0.016702],[-0.110515,-0.0240273,-0.0123483,0.00490681]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -55.83
S298 (cal/mol*K) = 18.40
G298 (kcal/mol) = -61.31

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C5H6(908); H(25), C2H4(115); C7H9(5)+H(25)(+M)=>C2H4(115)+C5H6(908)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.375e+00 -1.286e+00 -1.542e-01 4.145e-03 / CHEB/ 1.877e+00 9.138e-01 -6.221e-02 -3.686e-02 / CHEB/ -2.336e-01 2.672e-01 7.015e-02 -2.545e-02 / CHEB/ -3.998e-01 -3.065e-02 5.588e-02 1.020e-02 / CHEB/ -2.531e-01 -6.803e-02 6.489e-03 1.670e-02 / CHEB/ -1.105e-01 -2.403e-02 -1.235e-02 4.907e-03 /

4420.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.2	+3.0	+3.8	+4.2
log₁₀(k(10 bar)/[mole,m,s])	+0.4	+2.6	+3.6	+4.2

Chebyshev(coeffs=[[7.24791,-1.16138,-0.447894,-0.0743501],[2.34483,0.867158,0.211893,-0.0323724],[0.51098,0.145111,0.135847,0.0497497],[0.0924589,0.0631191,0.0404323,0.0218473],[-0.00629191,0.024086,0.00813795,0.00317023],[-0.0312215,-0.0110445,-0.00149092,0.00144911]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.99
S298 (cal/mol*K) = -17.38
G298 (kcal/mol) = -15.81

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(794); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(794)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.248e+00 -1.161e+00 -4.479e-01 -7.435e-02 / CHEB/ 2.345e+00 8.672e-01 2.119e-01 -3.237e-02 / CHEB/ 5.110e-01 1.451e-01 1.358e-01 4.975e-02 / CHEB/ 9.246e-02 6.312e-02 4.043e-02 2.185e-02 / CHEB/ -6.292e-03 2.409e-02 8.138e-03 3.170e-03 / CHEB/ -3.122e-02 -1.104e-02 -1.491e-03 1.449e-03 /

4421.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	-1.1	+1.0	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-1.3	+0.9	+2.0

Chebyshev(coeffs=[[-0.646224,-0.651581,-0.343007,-0.109345],[8.31167,0.511516,0.228522,0.0394281],[0.35669,0.0463798,0.056335,0.0410527],[0.0459767,0.0504887,0.0276592,0.0118569],[-0.0217602,0.0195707,0.00967665,0.00224992],[-0.0295012,-0.0109143,-0.00440425,-0.000285429]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.34
S298 (cal/mol*K) = -0.87
G298 (kcal/mol) = 21.59

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(909); C2H4(72), CH3(425); C5H7(210)+C2H4(72)(+M)=>CH3(425)+C6H8(909)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.462e-01 -6.516e-01 -3.430e-01 -1.093e-01 / CHEB/ 8.312e+00 5.115e-01 2.285e-01 3.943e-02 / CHEB/ 3.567e-01 4.638e-02 5.634e-02 4.105e-02 / CHEB/ 4.598e-02 5.049e-02 2.766e-02 1.186e-02 / CHEB/ -2.176e-02 1.957e-02 9.677e-03 2.250e-03 / CHEB/ -2.950e-02 -1.091e-02 -4.404e-03 -2.854e-04 /

4422.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-1.7	+1.0	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-1.9	+1.0	+2.4

Chebyshev(coeffs=[[-2.36536,-0.589724,-0.321207,-0.110071],[10.2112,0.459576,0.217217,0.0462322],[0.497876,0.0408037,0.0484728,0.0368968],[0.0995398,0.0500398,0.0275997,0.0112354],[-0.00145908,0.0184696,0.00957003,0.00255974],[-0.0215326,-0.010776,-0.00466086,-0.000516531]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.41
S298 (cal/mol*K) = 3.55
G298 (kcal/mol) = 26.35

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H4(910); C2H4(72), C3H7(433); C5H7(210)+C2H4(72)(+M)=>C3H7(433)+C4H4(910)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.365e+00 -5.897e-01 -3.212e-01 -1.101e-01 / CHEB/ 1.021e+01 4.596e-01 2.172e-01 4.623e-02 / CHEB/ 4.979e-01 4.080e-02 4.847e-02 3.690e-02 / CHEB/ 9.954e-02 5.004e-02 2.760e-02 1.124e-02 / CHEB/ -1.459e-03 1.847e-02 9.570e-03 2.560e-03 / CHEB/ -2.153e-02 -1.078e-02 -4.661e-03 -5.165e-04 /

4423.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-4.0	-1.5	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-4.2	-1.6	-0.2

Chebyshev(coeffs=[[-4.11472,-0.680925,-0.360878,-0.116545],[9.28004,0.531233,0.240904,0.0442513],[0.533007,0.0482065,0.0572959,0.0417979],[0.104244,0.0545284,0.0294653,0.0119082],[-0.000239521,0.0209035,0.0104863,0.0025836],[-0.0228428,-0.0114655,-0.00462852,-0.000257391]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.03
S298 (cal/mol*K) = -14.38
G298 (kcal/mol) = 27.31

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(792); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(792)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.115e+00 -6.809e-01 -3.609e-01 -1.165e-01 / CHEB/ 9.280e+00 5.312e-01 2.409e-01 4.425e-02 / CHEB/ 5.330e-01 4.821e-02 5.730e-02 4.180e-02 / CHEB/ 1.042e-01 5.453e-02 2.947e-02 1.191e-02 / CHEB/ -2.395e-04 2.090e-02 1.049e-02 2.584e-03 / CHEB/ -2.284e-02 -1.147e-02 -4.629e-03 -2.574e-04 /

4424.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.7	+4.4	+4.5	+4.5
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+3.9	+4.3	+4.5

Chebyshev(coeffs=[[9.34513,-1.22659,-0.456261,-0.0686565],[0.97351,0.833021,0.181057,-0.0396428],[0.159486,0.188688,0.141476,0.0399077],[0.0314643,0.0862859,0.0505194,0.0213516],[-0.0149573,0.0286218,0.0114675,0.00482589],[-0.0339335,-0.0107825,-2.99622e-05,0.00269692]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -58.98
S298 (cal/mol*K) = -50.00
G298 (kcal/mol) = -44.08

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(911); C2H4(72), C7H11(911); C5H7(210)+C2H4(72)(+M)=>C7H11(911)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.345e+00 -1.227e+00 -4.563e-01 -6.866e-02 / CHEB/ 9.735e-01 8.330e-01 1.811e-01 -3.964e-02 / CHEB/ 1.595e-01 1.887e-01 1.415e-01 3.991e-02 / CHEB/ 3.146e-02 8.629e-02 5.052e-02 2.135e-02 / CHEB/ -1.496e-02 2.862e-02 1.147e-02 4.826e-03 / CHEB/ -3.393e-02 -1.078e-02 -2.996e-05 2.697e-03 /

4425.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-6.4	-3.1	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-6.6	-3.1	-1.4

Chebyshev(coeffs=[[-9.27121,-0.410433,-0.244697,-0.101522],[13.5235,0.309935,0.169285,0.0560656],[0.273201,0.0259952,0.028387,0.0230977],[0.0620998,0.0457065,0.0262825,0.0103551],[-0.00450575,0.0146294,0.0086414,0.00338776],[-0.0191427,-0.00955197,-0.00491445,-0.00127602]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.99
S298 (cal/mol*K) = -5.46
G298 (kcal/mol) = 41.61

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(729); C2H4(72), CH2(137); C5H7(210)+C2H4(72)(+M)=>CH2(137)+C6H9(729)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.271e+00 -4.104e-01 -2.447e-01 -1.015e-01 / CHEB/ 1.352e+01 3.099e-01 1.693e-01 5.607e-02 / CHEB/ 2.732e-01 2.600e-02 2.839e-02 2.310e-02 / CHEB/ 6.210e-02 4.571e-02 2.628e-02 1.036e-02 / CHEB/ -4.506e-03 1.463e-02 8.641e-03 3.388e-03 / CHEB/ -1.914e-02 -9.552e-03 -4.914e-03 -1.276e-03 /

4426.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.1	-13.4	-7.1	-4.1
log₁₀(k(10 bar)/[mole,m,s])	-32.1	-13.4	-7.2	-4.1

Chebyshev(coeffs=[[-24.5626,-0.0956599,-0.0648922,-0.0344945],[26.4885,0.0481685,0.032489,0.0170962],[0.0104368,0.0171504,0.0116302,0.00617835],[0.00516514,0.0193833,0.0129623,0.00671808],[-0.00658325,0.00345334,0.00243988,0.0013868],[-0.0100849,-0.00366364,-0.00236819,-0.00115062]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.30
S298 (cal/mol*K) = 2.32
G298 (kcal/mol) = 75.61

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H9(912); C2H4(72), C2H2(913); C5H7(210)+C2H4(72)(+M)=>C2H2(913)+C5H9(912)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.456e+01 -9.566e-02 -6.489e-02 -3.449e-02 / CHEB/ 2.649e+01 4.817e-02 3.249e-02 1.710e-02 / CHEB/ 1.044e-02 1.715e-02 1.163e-02 6.178e-03 / CHEB/ 5.165e-03 1.938e-02 1.296e-02 6.718e-03 / CHEB/ -6.583e-03 3.453e-03 2.440e-03 1.387e-03 / CHEB/ -1.008e-02 -3.664e-03 -2.368e-03 -1.151e-03 /

4427.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.6	+1.6	+2.0	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-0.3	+1.2	+1.8	+2.1

Chebyshev(coeffs=[[6.34846,-1.17756,-0.447418,-0.0720919],[1.45179,0.84154,0.193999,-0.0359086],[0.293969,0.161081,0.137085,0.0448534],[0.0460489,0.0711975,0.0445085,0.0219932],[-0.0171233,0.0260113,0.0095276,0.00393707],[-0.0352186,-0.0101432,-0.000689469,0.00190253]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -53.12
S298 (cal/mol*K) = -34.38
G298 (kcal/mol) = -42.88

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(914); C2H4(72), C7H11(914); C5H7(210)+C2H4(72)(+M)=>C7H11(914)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.348e+00 -1.178e+00 -4.474e-01 -7.209e-02 / CHEB/ 1.452e+00 8.415e-01 1.940e-01 -3.591e-02 / CHEB/ 2.940e-01 1.611e-01 1.371e-01 4.485e-02 / CHEB/ 4.605e-02 7.120e-02 4.451e-02 2.199e-02 / CHEB/ -1.712e-02 2.601e-02 9.528e-03 3.937e-03 / CHEB/ -3.522e-02 -1.014e-02 -6.895e-04 1.903e-03 /

4428.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.5	+2.9	+3.5	+3.8
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+2.4	+3.3	+3.8

Chebyshev(coeffs=[[7.39003,-1.31075,-0.504434,-0.0810391],[1.89733,0.998665,0.261525,-0.0257768],[0.423343,0.152969,0.135365,0.0476927],[0.0912256,0.0659627,0.0405683,0.0189561],[-0.00610749,0.0225124,0.00846184,0.00412309],[-0.0346859,-0.0128089,-0.00141159,0.00236231]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -66.29
S298 (cal/mol*K) = -37.76
G298 (kcal/mol) = -55.04

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(915); C2H4(72), C7H11(915); C5H7(210)+C2H4(72)(+M)=>C7H11(915)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.390e+00 -1.311e+00 -5.044e-01 -8.104e-02 / CHEB/ 1.897e+00 9.987e-01 2.615e-01 -2.578e-02 / CHEB/ 4.233e-01 1.530e-01 1.354e-01 4.769e-02 / CHEB/ 9.123e-02 6.596e-02 4.057e-02 1.896e-02 / CHEB/ -6.107e-03 2.251e-02 8.462e-03 4.123e-03 / CHEB/ -3.469e-02 -1.281e-02 -1.412e-03 2.362e-03 /

4429.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+2.4	+2.9	+3.1
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+1.9	+2.7	+3.1

Chebyshev(coeffs=[[6.96159,-1.17596,-0.447677,-0.0726321],[1.72022,0.8404,0.193733,-0.0361789],[0.361254,0.159096,0.136519,0.0449622],[0.067033,0.0706257,0.0443011,0.0220558],[-0.00981735,0.0262587,0.00966569,0.00398442],[-0.0325466,-0.00984653,-0.000552121,0.00194205]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -53.12
S298 (cal/mol*K) = -34.15
G298 (kcal/mol) = -42.95

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(916); C2H4(72), C7H11(916); C5H7(210)+C2H4(72)(+M)=>C7H11(916)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.962e+00 -1.176e+00 -4.477e-01 -7.263e-02 / CHEB/ 1.720e+00 8.404e-01 1.937e-01 -3.618e-02 / CHEB/ 3.613e-01 1.591e-01 1.365e-01 4.496e-02 / CHEB/ 6.703e-02 7.063e-02 4.430e-02 2.206e-02 / CHEB/ -9.817e-03 2.626e-02 9.666e-03 3.984e-03 / CHEB/ -3.255e-02 -9.847e-03 -5.521e-04 1.942e-03 /

4430.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+2.8	+3.1	+3.1
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+2.4	+2.9	+3.1

Chebyshev(coeffs=[[7.79295,-1.22305,-0.454918,-0.068505],[1.07559,0.83702,0.183069,-0.0391432],[0.198508,0.188823,0.1421,0.0404296],[0.0507692,0.0850654,0.0503203,0.021621],[-0.00573589,0.02765,0.0111108,0.00485774],[-0.0311696,-0.0113251,-0.000329008,0.0026256]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -50.47
S298 (cal/mol*K) = -35.87
G298 (kcal/mol) = -39.79

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(917); C2H4(72), C7H11(917); C5H7(210)+C2H4(72)(+M)=>C7H11(917)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.793e+00 -1.223e+00 -4.549e-01 -6.850e-02 / CHEB/ 1.076e+00 8.370e-01 1.831e-01 -3.914e-02 / CHEB/ 1.985e-01 1.888e-01 1.421e-01 4.043e-02 / CHEB/ 5.077e-02 8.507e-02 5.032e-02 2.162e-02 / CHEB/ -5.736e-03 2.765e-02 1.111e-02 4.858e-03 / CHEB/ -3.117e-02 -1.133e-02 -3.290e-04 2.626e-03 /

4431.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.5	+3.7	+3.2	+2.6
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+3.9	+3.8	+3.5

Chebyshev(coeffs=[[8.70622,0.354886,-0.650839,-0.121493],[0.15048,0.939078,0.230653,-0.0239657],[-0.114311,0.234801,0.150629,0.038096],[-0.148463,0.168525,0.0781672,0.0190229],[-0.108638,0.0708297,0.0288119,0.00669547],[-0.0601352,-0.00576215,0.00400137,0.00426774]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -64.04
S298 (cal/mol*K) = -40.34
G298 (kcal/mol) = -52.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(918); C2H4(72), C7H11(918); C5H7(210)+C2H4(72)(+M)=>C7H11(918)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.706e+00 3.549e-01 -6.508e-01 -1.215e-01 / CHEB/ 1.505e-01 9.391e-01 2.307e-01 -2.397e-02 / CHEB/ -1.143e-01 2.348e-01 1.506e-01 3.810e-02 / CHEB/ -1.485e-01 1.685e-01 7.817e-02 1.902e-02 / CHEB/ -1.086e-01 7.083e-02 2.881e-02 6.695e-03 / CHEB/ -6.014e-02 -5.762e-03 4.001e-03 4.268e-03 /

4432.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.8	+4.3	+4.5	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+3.8	+4.2	+4.4

Chebyshev(coeffs=[[9.33805,-1.2403,-0.45937,-0.0680425],[0.897357,0.826534,0.176386,-0.0407502],[0.119065,0.194317,0.14164,0.0383404],[0.02646,0.0913532,0.0520296,0.0208396],[-0.0119265,0.0306937,0.0123828,0.00493225],[-0.0330039,-0.010351,0.000455369,0.00295022]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -42.58
S298 (cal/mol*K) = -44.94
G298 (kcal/mol) = -29.19

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(642); C2H4(72), C7H11(642); C5H7(210)+C2H4(72)(+M)=>C7H11(642)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.338e+00 -1.240e+00 -4.594e-01 -6.804e-02 / CHEB/ 8.974e-01 8.265e-01 1.764e-01 -4.075e-02 / CHEB/ 1.191e-01 1.943e-01 1.416e-01 3.834e-02 / CHEB/ 2.646e-02 9.135e-02 5.203e-02 2.084e-02 / CHEB/ -1.193e-02 3.069e-02 1.238e-02 4.932e-03 / CHEB/ -3.300e-02 -1.035e-02 4.554e-04 2.950e-03 /

4433.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+1.2	+2.1	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-1.6	+0.8	+2.0	+2.5

Chebyshev(coeffs=[[5.28465,-1.11862,-0.436243,-0.0755186],[2.63731,0.842783,0.209422,-0.0295606],[0.541031,0.131514,0.1307,0.0498825],[0.0742414,0.0596183,0.0381458,0.0216156],[-0.02206,0.0245586,0.00810608,0.00281829],[-0.0354059,-0.0102163,-0.00134605,0.00121373]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.46
S298 (cal/mol*K) = -36.87
G298 (kcal/mol) = -41.48

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(919); C2H4(72), C7H11(919); C5H7(210)+C2H4(72)(+M)=>C7H11(919)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.285e+00 -1.119e+00 -4.362e-01 -7.552e-02 / CHEB/ 2.637e+00 8.428e-01 2.094e-01 -2.956e-02 / CHEB/ 5.410e-01 1.315e-01 1.307e-01 4.988e-02 / CHEB/ 7.424e-02 5.962e-02 3.815e-02 2.162e-02 / CHEB/ -2.206e-02 2.456e-02 8.106e-03 2.818e-03 / CHEB/ -3.541e-02 -1.022e-02 -1.346e-03 1.214e-03 /

4434.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.1	-4.9	-1.3	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-15.3	-5.0	-1.4	+0.5

Chebyshev(coeffs=[[-8.24643,-0.377969,-0.228812,-0.0979643],[14.3898,0.2829,0.158302,0.0558477],[0.259803,0.0238031,0.0252763,0.020496],[0.0622769,0.0442849,0.0257682,0.0103083],[-0.00262325,0.0137792,0.00832744,0.00345905],[-0.0176751,-0.00917833,-0.00486252,-0.00140174]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.71
S298 (cal/mol*K) = 0.70
G298 (kcal/mol) = 34.50

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H8(920); C2H4(72), C3H3(785); C5H7(210)+C2H4(72)(+M)=>C3H3(785)+C4H8(920)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.246e+00 -3.780e-01 -2.288e-01 -9.796e-02 / CHEB/ 1.439e+01 2.829e-01 1.583e-01 5.585e-02 / CHEB/ 2.598e-01 2.380e-02 2.528e-02 2.050e-02 / CHEB/ 6.228e-02 4.428e-02 2.577e-02 1.031e-02 / CHEB/ -2.623e-03 1.378e-02 8.327e-03 3.459e-03 / CHEB/ -1.768e-02 -9.178e-03 -4.863e-03 -1.402e-03 /

4435.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.3	+4.0	+4.3	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+2.9	+3.7	+4.1	+4.4

Chebyshev(coeffs=[[9.15107,-0.680991,-0.360998,-0.114776],[0.974844,0.479004,0.214489,0.0348136],[0.182527,0.0551661,0.0510472,0.0310496],[0.0401807,0.0304456,0.0179292,0.00894107],[0.00323448,0.0147311,0.0076472,0.00245142],[-0.00907963,0.0017647,0.00249597,0.00202683]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -39.51
S298 (cal/mol*K) = -54.79
G298 (kcal/mol) = -23.19

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(836); C2H4(72), C7H11(836); C5H7(210)+C2H4(72)(+M)=>C7H11(836)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.151e+00 -6.810e-01 -3.610e-01 -1.148e-01 / CHEB/ 9.748e-01 4.790e-01 2.145e-01 3.481e-02 / CHEB/ 1.825e-01 5.517e-02 5.105e-02 3.105e-02 / CHEB/ 4.018e-02 3.045e-02 1.793e-02 8.941e-03 / CHEB/ 3.234e-03 1.473e-02 7.647e-03 2.451e-03 / CHEB/ -9.080e-03 1.765e-03 2.496e-03 2.027e-03 /

4436.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.4	+2.0	+3.0	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-0.0	+1.9	+3.0	+3.6

Chebyshev(coeffs=[[6.64049,-0.629713,-0.337095,-0.110006],[2.20153,0.489435,0.225137,0.0417484],[0.597106,0.0354254,0.0423203,0.0307193],[0.143505,0.0179927,0.0110791,0.00677026],[0.0213508,0.0101971,0.00512459,0.00144377],[-0.0078246,0.000292675,0.00162293,0.00169765]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.46
S298 (cal/mol*K) = -23.57
G298 (kcal/mol) = -16.44

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(683); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(683)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.640e+00 -6.297e-01 -3.371e-01 -1.100e-01 / CHEB/ 2.202e+00 4.894e-01 2.251e-01 4.175e-02 / CHEB/ 5.971e-01 3.543e-02 4.232e-02 3.072e-02 / CHEB/ 1.435e-01 1.799e-02 1.108e-02 6.770e-03 / CHEB/ 2.135e-02 1.020e-02 5.125e-03 1.444e-03 / CHEB/ -7.825e-03 2.927e-04 1.623e-03 1.698e-03 /

4437.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-3.2	-0.0	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-11.9	-3.2	-0.1	+1.5

Chebyshev(coeffs=[[-4.89962,-0.244434,-0.156337,-0.0745711],[11.9881,0.163074,0.0993804,0.0427629],[0.327995,0.0160233,0.0130438,0.00879205],[0.10387,0.0193675,0.011662,0.00491627],[-0.00257494,0.00494927,0.00367355,0.00222058],[-0.0222675,-0.00206107,-0.000721793,0.00022297]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.12
S298 (cal/mol*K) = 1.21
G298 (kcal/mol) = 35.76

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H6(818); C2H4(72), C3H5(597); C5H7(210)+C2H4(72)(+M)=>C3H5(597)+C4H6(818)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.900e+00 -2.444e-01 -1.563e-01 -7.457e-02 / CHEB/ 1.199e+01 1.631e-01 9.938e-02 4.276e-02 / CHEB/ 3.280e-01 1.602e-02 1.304e-02 8.792e-03 / CHEB/ 1.039e-01 1.937e-02 1.166e-02 4.916e-03 / CHEB/ -2.575e-03 4.949e-03 3.674e-03 2.221e-03 / CHEB/ -2.227e-02 -2.061e-03 -7.218e-04 2.230e-04 /

4438.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	-4.0	-1.3	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-10.6	-4.1	-1.3	+0.1

Chebyshev(coeffs=[[-3.48804,-0.354085,-0.215297,-0.0927611],[8.72417,0.262084,0.147302,0.0521274],[0.710151,0.0166584,0.0179515,0.0147532],[0.179941,0.0178606,0.0101046,0.00385661],[0.0148362,0.00686801,0.0045668,0.00230016],[-0.0152861,-0.00144898,5.95139e-05,0.000924607]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.41
S298 (cal/mol*K) = -20.33
G298 (kcal/mol) = 27.46

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(837); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(837)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.488e+00 -3.541e-01 -2.153e-01 -9.276e-02 / CHEB/ 8.724e+00 2.621e-01 1.473e-01 5.213e-02 / CHEB/ 7.102e-01 1.666e-02 1.795e-02 1.475e-02 / CHEB/ 1.799e-01 1.786e-02 1.010e-02 3.857e-03 / CHEB/ 1.484e-02 6.868e-03 4.567e-03 2.300e-03 / CHEB/ -1.529e-02 -1.449e-03 5.951e-05 9.246e-04 /

4439.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-5.9	-2.1	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-6.0	-2.1	-0.1

Chebyshev(coeffs=[[-8.94708,-0.219409,-0.141833,-0.0690495],[14.1634,0.141705,0.0878785,0.0392749],[0.474735,0.0154756,0.0119871,0.00766307],[0.152537,0.0191838,0.0117398,0.00511564],[0.0158369,0.00448895,0.00338652,0.00209725],[-0.0155039,-0.00210892,-0.000846506,7.72895e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.82
S298 (cal/mol*K) = -9.76
G298 (kcal/mol) = 44.72

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(800); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(800)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.947e+00 -2.194e-01 -1.418e-01 -6.905e-02 / CHEB/ 1.416e+01 1.417e-01 8.788e-02 3.927e-02 / CHEB/ 4.747e-01 1.548e-02 1.199e-02 7.663e-03 / CHEB/ 1.525e-01 1.918e-02 1.174e-02 5.116e-03 / CHEB/ 1.584e-02 4.489e-03 3.387e-03 2.097e-03 / CHEB/ -1.550e-02 -2.109e-03 -8.465e-04 7.729e-05 /

4440.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.4	-3.9	-0.3	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-3.9	-0.4	+1.4

Chebyshev(coeffs=[[-6.45622,-0.226,-0.14569,-0.0705543],[13.3828,0.147282,0.0909224,0.0402413],[0.394289,0.0156285,0.0122592,0.00794854],[0.127521,0.0192583,0.011735,0.0050687],[0.00694482,0.00461279,0.0034662,0.00213407],[-0.0187274,-0.00210058,-0.000816484,0.000114373]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.87
S298 (cal/mol*K) = -3.51
G298 (kcal/mol) = 40.91

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(838); C2H4(72), CH3(425); C5H7(210)+C2H4(72)(+M)=>CH3(425)+C6H8(838)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.456e+00 -2.260e-01 -1.457e-01 -7.055e-02 / CHEB/ 1.338e+01 1.473e-01 9.092e-02 4.024e-02 / CHEB/ 3.943e-01 1.563e-02 1.226e-02 7.949e-03 / CHEB/ 1.275e-01 1.926e-02 1.173e-02 5.069e-03 / CHEB/ 6.945e-03 4.613e-03 3.466e-03 2.134e-03 / CHEB/ -1.873e-02 -2.101e-03 -8.165e-04 1.144e-04 /

4441.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.3	-8.1	-4.0	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-8.2	-4.1	-1.9

Chebyshev(coeffs=[[-12.0822,-0.196235,-0.12806,-0.0634694],[15.5836,0.122431,0.077126,0.0356201],[0.438201,0.0148647,0.0110528,0.00672542],[0.145505,0.0187682,0.0116599,0.00524017],[0.0157423,0.00403592,0.00308208,0.00194312],[-0.015122,-0.00211386,-0.000935323,-4.47684e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.01
S298 (cal/mol*K) = -13.45
G298 (kcal/mol) = 51.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(839); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(839)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.208e+01 -1.962e-01 -1.281e-01 -6.347e-02 / CHEB/ 1.558e+01 1.224e-01 7.713e-02 3.562e-02 / CHEB/ 4.382e-01 1.486e-02 1.105e-02 6.725e-03 / CHEB/ 1.455e-01 1.877e-02 1.166e-02 5.240e-03 / CHEB/ 1.574e-02 4.036e-03 3.082e-03 1.943e-03 / CHEB/ -1.512e-02 -2.114e-03 -9.353e-04 -4.477e-05 /

4442.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.3	-8.1	-4.0	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-8.2	-4.1	-1.9

H298 (kcal/mol) = 47.01
S298 (cal/mol*K) = -13.45
G298 (kcal/mol) = 51.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(840); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(840)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.208e+01 -1.962e-01 -1.281e-01 -6.347e-02 / CHEB/ 1.558e+01 1.224e-01 7.713e-02 3.562e-02 / CHEB/ 4.382e-01 1.486e-02 1.105e-02 6.725e-03 / CHEB/ 1.455e-01 1.877e-02 1.166e-02 5.240e-03 / CHEB/ 1.574e-02 4.036e-03 3.082e-03 1.943e-03 / CHEB/ -1.512e-02 -2.114e-03 -9.353e-04 -4.477e-05 /

4443.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.6	+2.9	+3.0	+3.1
log₁₀(k(10 bar)/[mole,m,s])	+2.1	+2.7	+2.9	+3.0

Chebyshev(coeffs=[[8.25394,-0.690947,-0.365554,-0.115591],[0.657335,0.476337,0.212281,0.0336105],[0.0865348,0.0594142,0.0529094,0.0311328],[0.0173756,0.0336768,0.0196073,0.00938672],[0.000441017,0.0159966,0.00831587,0.00267709],[-0.00796844,0.00203806,0.00265843,0.0020914]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -63.36
S298 (cal/mol*K) = -57.63
G298 (kcal/mol) = -46.19

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(841); C2H4(72), C7H11(841); C5H7(210)+C2H4(72)(+M)=>C7H11(841)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.254e+00 -6.909e-01 -3.656e-01 -1.156e-01 / CHEB/ 6.573e-01 4.763e-01 2.123e-01 3.361e-02 / CHEB/ 8.653e-02 5.941e-02 5.291e-02 3.113e-02 / CHEB/ 1.738e-02 3.368e-02 1.961e-02 9.387e-03 / CHEB/ 4.410e-04 1.600e-02 8.316e-03 2.677e-03 / CHEB/ -7.968e-03 2.038e-03 2.658e-03 2.091e-03 /

4444.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.5	-7.4	-3.4	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-7.4	-3.4	-1.4

Chebyshev(coeffs=[[-11.4213,-0.18696,-0.122458,-0.061112],[15.6227,0.114855,0.0727995,0.0340464],[0.293219,0.0146112,0.0107021,0.00638518],[0.104103,0.0185237,0.0115777,0.00526752],[0.00289342,0.0038466,0.00294949,0.00187064],[-0.0194406,-0.00210402,-0.000962482,-8.91208e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.42
S298 (cal/mol*K) = -6.07
G298 (kcal/mol) = 50.23

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(842); C2H4(72), CH2(137); C5H7(210)+C2H4(72)(+M)=>CH2(137)+C6H9(842)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.142e+01 -1.870e-01 -1.225e-01 -6.111e-02 / CHEB/ 1.562e+01 1.149e-01 7.280e-02 3.405e-02 / CHEB/ 2.932e-01 1.461e-02 1.070e-02 6.385e-03 / CHEB/ 1.041e-01 1.852e-02 1.158e-02 5.268e-03 / CHEB/ 2.893e-03 3.847e-03 2.949e-03 1.871e-03 / CHEB/ -1.944e-02 -2.104e-03 -9.625e-04 -8.912e-05 /

4445.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.0	-10.6	-6.0	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-23.1	-10.7	-6.1	-3.7

Chebyshev(coeffs=[[-15.6621,-0.172486,-0.11356,-0.0572142],[17.3204,0.105798,0.0676517,0.0322046],[0.47303,0.0136663,0.00989334,0.00581147],[0.151957,0.0176955,0.0111532,0.00516145],[0.0173951,0.0033228,0.00259158,0.00168035],[-0.0141833,-0.0022001,-0.0010788,-0.000196279]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 52.41
S298 (cal/mol*K) = -21.15
G298 (kcal/mol) = 58.71

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(843); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(843)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.566e+01 -1.725e-01 -1.136e-01 -5.721e-02 / CHEB/ 1.732e+01 1.058e-01 6.765e-02 3.220e-02 / CHEB/ 4.730e-01 1.367e-02 9.893e-03 5.811e-03 / CHEB/ 1.520e-01 1.770e-02 1.115e-02 5.161e-03 / CHEB/ 1.740e-02 3.323e-03 2.592e-03 1.680e-03 / CHEB/ -1.418e-02 -2.200e-03 -1.079e-03 -1.963e-04 /

4477.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.3	+4.7	+4.8	+4.8
log₁₀(k(10 bar)/[mole,m,s])	+3.4	+4.2	+4.5	+4.7

Chebyshev(coeffs=[[9.85903,-1.33321,-0.409182,-0.0439731],[0.777336,0.925952,0.167003,-0.0167783],[-0.00843267,0.113923,0.0618378,-0.0148299],[0.00658021,0.0634647,0.0348098,0.00735786],[0.0225407,0.0615698,0.0274463,0.010043],[-0.0028146,0.0195054,0.0155477,0.00668288]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -91.63
S298 (cal/mol*K) = -35.04
G298 (kcal/mol) = -81.19

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(921); H(25), C7H11(921); C7H10(18)+H(25)(+M)=>C7H11(921)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.859e+00 -1.333e+00 -4.092e-01 -4.397e-02 / CHEB/ 7.773e-01 9.260e-01 1.670e-01 -1.678e-02 / CHEB/ -8.433e-03 1.139e-01 6.184e-02 -1.483e-02 / CHEB/ 6.580e-03 6.346e-02 3.481e-02 7.358e-03 / CHEB/ 2.254e-02 6.157e-02 2.745e-02 1.004e-02 / CHEB/ -2.815e-03 1.951e-02 1.555e-02 6.683e-03 /

4478.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.7	+2.8	+4.0	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+2.4	+3.8	+4.6

Chebyshev(coeffs=[[6.96537,-1.19263,-0.384648,-0.0476207],[2.78038,0.974845,0.203387,-0.0142642],[0.631748,0.0640564,0.0681146,-0.00151284],[0.154679,0.0226051,0.0261167,0.014756],[0.0429899,0.0407549,0.0187578,0.0104179],[-0.00387231,0.0107158,0.00998317,0.00522925]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.73
S298 (cal/mol*K) = -3.06
G298 (kcal/mol) = -29.82

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(441); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(441)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.965e+00 -1.193e+00 -3.846e-01 -4.762e-02 / CHEB/ 2.780e+00 9.748e-01 2.034e-01 -1.426e-02 / CHEB/ 6.317e-01 6.406e-02 6.811e-02 -1.513e-03 / CHEB/ 1.547e-01 2.261e-02 2.612e-02 1.476e-02 / CHEB/ 4.299e-02 4.075e-02 1.876e-02 1.042e-02 / CHEB/ -3.872e-03 1.072e-02 9.983e-03 5.229e-03 /

4479.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.7	+0.7	+2.3	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-3.4	+0.4	+2.1	+3.1

Chebyshev(coeffs=[[3.79859,-1.01798,-0.365532,-0.0547015],[4.41667,0.896695,0.227134,-0.00849578],[0.728093,0.00451542,0.0563679,0.0117046],[0.106288,0.0117606,0.0142045,0.0145144],[0.0136033,0.0369913,0.0154929,0.00720929],[-0.0156407,0.00872909,0.00872242,0.00417518]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.86
S298 (cal/mol*K) = 9.04
G298 (kcal/mol) = -4.55

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H6(408); H(25), C3H5(597); C7H10(18)+H(25)(+M)=>C3H5(597)+C4H6(408)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.799e+00 -1.018e+00 -3.655e-01 -5.470e-02 / CHEB/ 4.417e+00 8.967e-01 2.271e-01 -8.496e-03 / CHEB/ 7.281e-01 4.515e-03 5.637e-02 1.170e-02 / CHEB/ 1.063e-01 1.176e-02 1.420e-02 1.451e-02 / CHEB/ 1.360e-02 3.699e-02 1.549e-02 7.209e-03 / CHEB/ -1.564e-02 8.729e-03 8.722e-03 4.175e-03 /

4480.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+2.5	+4.2	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-1.6	+2.2	+4.0	+5.1

Chebyshev(coeffs=[[5.77343,-1.09157,-0.372411,-0.0514096],[4.27478,0.945344,0.218986,-0.0116291],[0.865874,0.0213683,0.0625914,0.00701083],[0.160335,0.0123734,0.0181167,0.0155807],[0.0301628,0.0382718,0.0159149,0.00836534],[-0.00903157,0.00947236,0.00903624,0.00431569]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -8.46
S298 (cal/mol*K) = 11.59
G298 (kcal/mol) = -11.91

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H7(922); H(25), C3H4(73); C7H10(18)+H(25)(+M)=>C3H4(73)+C4H7(922)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.773e+00 -1.092e+00 -3.724e-01 -5.141e-02 / CHEB/ 4.275e+00 9.453e-01 2.190e-01 -1.163e-02 / CHEB/ 8.659e-01 2.137e-02 6.259e-02 7.011e-03 / CHEB/ 1.603e-01 1.237e-02 1.812e-02 1.558e-02 / CHEB/ 3.016e-02 3.827e-02 1.591e-02 8.365e-03 / CHEB/ -9.032e-03 9.472e-03 9.036e-03 4.316e-03 /

4481.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	-0.4	+2.0	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-0.6	+1.9	+3.3

Chebyshev(coeffs=[[0.798271,-0.803301,-0.339859,-0.0671631],[7.51318,0.710379,0.237968,0.00922645],[0.778172,-0.00399922,0.0361923,0.0179827],[0.147786,0.011235,0.00913475,0.00997794],[0.0175423,0.0324279,0.0153834,0.00565102],[-0.0153153,0.00677518,0.00724617,0.00412852]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.05
S298 (cal/mol*K) = 10.91
G298 (kcal/mol) = 9.80

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H8(442); H(25), CH3(425); C7H10(18)+H(25)(+M)=>C6H8(442)+CH3(425)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.983e-01 -8.033e-01 -3.399e-01 -6.716e-02 / CHEB/ 7.513e+00 7.104e-01 2.380e-01 9.226e-03 / CHEB/ 7.782e-01 -3.999e-03 3.619e-02 1.798e-02 / CHEB/ 1.478e-01 1.124e-02 9.135e-03 9.978e-03 / CHEB/ 1.754e-02 3.243e-02 1.538e-02 5.651e-03 / CHEB/ -1.532e-02 6.775e-03 7.246e-03 4.129e-03 /

4482.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	-0.5	+1.6	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-5.5	-0.8	+1.5	+2.7

Chebyshev(coeffs=[[2.00332,-0.998668,-0.361998,-0.0551606],[5.54118,0.891888,0.230933,-0.00709349],[0.97564,-0.000477081,0.0551858,0.0131849],[0.17852,0.00952674,0.0127482,0.0144585],[0.0367155,0.035524,0.0147926,0.00687267],[-0.00809221,0.00796242,0.00826558,0.00398933]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.61
S298 (cal/mol*K) = -2.60
G298 (kcal/mol) = 0.16

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(108); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(108)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.003e+00 -9.987e-01 -3.620e-01 -5.516e-02 / CHEB/ 5.541e+00 8.919e-01 2.309e-01 -7.093e-03 / CHEB/ 9.756e-01 -4.771e-04 5.519e-02 1.318e-02 / CHEB/ 1.785e-01 9.527e-03 1.275e-02 1.446e-02 / CHEB/ 3.672e-02 3.552e-02 1.479e-02 6.873e-03 / CHEB/ -8.092e-03 7.962e-03 8.266e-03 3.989e-03 /

4483.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-4.5	-1.6	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-4.7	-1.7	-0.0

Chebyshev(coeffs=[[-4.42643,-0.703942,-0.320977,-0.0736001],[9.35344,0.616547,0.232654,0.0201922],[0.822906,-0.00339004,0.0274443,0.0178783],[0.181946,0.0126894,0.00859181,0.0078703],[0.0265761,0.0301405,0.0153142,0.00542429],[-0.0129053,0.00589404,0.00645011,0.00412554]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.19
S298 (cal/mol*K) = 0.96
G298 (kcal/mol) = 19.90

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(437); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(437)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.426e+00 -7.039e-01 -3.210e-01 -7.360e-02 / CHEB/ 9.353e+00 6.165e-01 2.327e-01 2.019e-02 / CHEB/ 8.229e-01 -3.390e-03 2.744e-02 1.788e-02 / CHEB/ 1.819e-01 1.269e-02 8.592e-03 7.870e-03 / CHEB/ 2.658e-02 3.014e-02 1.531e-02 5.424e-03 / CHEB/ -1.291e-02 5.894e-03 6.450e-03 4.126e-03 /

4484.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-3.6	-0.7	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-3.8	-0.8	+0.9

Chebyshev(coeffs=[[-3.57755,-0.702213,-0.320597,-0.073707],[9.39541,0.614906,0.232496,0.0203873],[0.825508,-0.00338159,0.0272993,0.0178634],[0.183067,0.0127228,0.00858923,0.00783484],[0.0269258,0.0300996,0.0153113,0.00542252],[-0.0127963,0.00587809,0.00643575,0.00412493]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.19
S298 (cal/mol*K) = 0.96
G298 (kcal/mol) = 19.90

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(438); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(438)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.578e+00 -7.022e-01 -3.206e-01 -7.371e-02 / CHEB/ 9.395e+00 6.149e-01 2.325e-01 2.039e-02 / CHEB/ 8.255e-01 -3.382e-03 2.730e-02 1.786e-02 / CHEB/ 1.831e-01 1.272e-02 8.589e-03 7.835e-03 / CHEB/ 2.693e-02 3.010e-02 1.531e-02 5.423e-03 / CHEB/ -1.280e-02 5.878e-03 6.436e-03 4.125e-03 /

4485.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-4.5	-1.6	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-4.7	-1.7	-0.0

H298 (kcal/mol) = 20.19
S298 (cal/mol*K) = 0.96
G298 (kcal/mol) = 19.90

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(436); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(436)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.426e+00 -7.039e-01 -3.210e-01 -7.360e-02 / CHEB/ 9.353e+00 6.165e-01 2.327e-01 2.019e-02 / CHEB/ 8.229e-01 -3.390e-03 2.744e-02 1.788e-02 / CHEB/ 1.819e-01 1.269e-02 8.592e-03 7.870e-03 / CHEB/ 2.658e-02 3.014e-02 1.531e-02 5.424e-03 / CHEB/ -1.291e-02 5.894e-03 6.450e-03 4.126e-03 /

4486.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.0	-4.0	-1.1	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-11.4	-4.2	-1.2	+0.5

Chebyshev(coeffs=[[-4.01029,-0.703942,-0.320977,-0.0736001],[9.46031,0.616547,0.232654,0.0201922],[0.846504,-0.00339004,0.0274443,0.0178783],[0.188894,0.0126894,0.00859181,0.0078703],[0.0288765,0.0301405,0.0153142,0.00542429],[-0.0120948,0.00589404,0.00645011,0.00412554]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.19
S298 (cal/mol*K) = 0.96
G298 (kcal/mol) = 19.90

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(439); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(439)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.010e+00 -7.039e-01 -3.210e-01 -7.360e-02 / CHEB/ 9.460e+00 6.165e-01 2.327e-01 2.019e-02 / CHEB/ 8.465e-01 -3.390e-03 2.744e-02 1.788e-02 / CHEB/ 1.889e-01 1.269e-02 8.592e-03 7.870e-03 / CHEB/ 2.888e-02 3.014e-02 1.531e-02 5.424e-03 / CHEB/ -1.209e-02 5.894e-03 6.450e-03 4.126e-03 /

4487.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-3.7	-0.9	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-3.9	-1.0	+0.5

Chebyshev(coeffs=[[-3.6419,-0.670273,-0.31326,-0.0756271],[9.28775,0.584549,0.229165,0.0239927],[0.676181,-0.00321269,0.0246729,0.0175077],[0.145597,0.0133534,0.00857724,0.00719439],[0.0141826,0.0293489,0.0152439,0.00540167],[-0.0175294,0.00557717,0.00616802,0.00410858]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.60
S298 (cal/mol*K) = 8.35
G298 (kcal/mol) = 19.11

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(400); H(25), CH2(137); C7H10(18)+H(25)(+M)=>CH2(137)+C6H9(400)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.642e+00 -6.703e-01 -3.133e-01 -7.563e-02 / CHEB/ 9.288e+00 5.845e-01 2.292e-01 2.399e-02 / CHEB/ 6.762e-01 -3.213e-03 2.467e-02 1.751e-02 / CHEB/ 1.456e-01 1.335e-02 8.577e-03 7.194e-03 / CHEB/ 1.418e-02 2.935e-02 1.524e-02 5.402e-03 / CHEB/ -1.753e-02 5.577e-03 6.168e-03 4.109e-03 /

4488.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.9	-5.9	-1.9	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-17.1	-6.0	-1.9	+0.2

Chebyshev(coeffs=[[-9.73755,-0.366004,-0.21064,-0.0806885],[15.2866,0.295877,0.157721,0.048948],[0.486263,-0.00192662,0.00563774,0.00762721],[0.135658,0.0192795,0.0104257,0.00369092],[0.0130459,0.0210515,0.0130809,0.00587586],[-0.0183997,0.00274668,0.00338132,0.00299151]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.62
S298 (cal/mol*K) = 11.55
G298 (kcal/mol) = 32.18

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C6H9(923); H(25), CH2(T)(82); C7H10(18)+H(25)(+M)=>CH2(T)(82)+C6H9(923)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.738e+00 -3.660e-01 -2.106e-01 -8.069e-02 / CHEB/ 1.529e+01 2.959e-01 1.577e-01 4.895e-02 / CHEB/ 4.863e-01 -1.927e-03 5.638e-03 7.627e-03 / CHEB/ 1.357e-01 1.928e-02 1.043e-02 3.691e-03 / CHEB/ 1.305e-02 2.105e-02 1.308e-02 5.876e-03 / CHEB/ -1.840e-02 2.747e-03 3.381e-03 2.992e-03 /

4489.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.7	-3.1	-0.1	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-3.3	-0.2	+1.5

Chebyshev(coeffs=[[-2.60665,-0.759143,-0.328787,-0.0684247],[8.80184,0.691146,0.241941,0.0141802],[1.02736,-0.0133601,0.0316449,0.0195096],[0.21727,0.00806244,0.00669469,0.0090336],[0.0379877,0.0297514,0.0142257,0.00502127],[-0.00934917,0.00534399,0.00629345,0.00380131]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.79
S298 (cal/mol*K) = 1.71
G298 (kcal/mol) = 15.28

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(444); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(444)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.607e+00 -7.591e-01 -3.288e-01 -6.842e-02 / CHEB/ 8.802e+00 6.911e-01 2.419e-01 1.418e-02 / CHEB/ 1.027e+00 -1.336e-02 3.164e-02 1.951e-02 / CHEB/ 2.173e-01 8.062e-03 6.695e-03 9.034e-03 / CHEB/ 3.799e-02 2.975e-02 1.423e-02 5.021e-03 / CHEB/ -9.349e-03 5.344e-03 6.293e-03 3.801e-03 /

4490.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+6.0	+6.4	+6.4	+6.4
log₁₀(k(10 bar)/[mole,m,s])	+5.1	+5.8	+6.1	+6.3

Chebyshev(coeffs=[[11.5744,-1.33697,-0.409884,-0.043879],[0.726008,0.923595,0.165883,-0.0168072],[-0.0276457,0.1147,0.0614426,-0.0151593],[0.000984767,0.0646698,0.0348974,0.00710037],[0.0213948,0.0623906,0.02766,0.00995892],[-0.00290426,0.0199184,0.0157329,0.00668461]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.29
S298 (cal/mol*K) = -31.09
G298 (kcal/mol) = -60.03

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(924); H(25), C7H11(924); C7H10(18)+H(25)(+M)=>C7H11(924)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.157e+01 -1.337e+00 -4.099e-01 -4.388e-02 / CHEB/ 7.260e-01 9.236e-01 1.659e-01 -1.681e-02 / CHEB/ -2.765e-02 1.147e-01 6.144e-02 -1.516e-02 / CHEB/ 9.848e-04 6.467e-02 3.490e-02 7.100e-03 / CHEB/ 2.139e-02 6.239e-02 2.766e-02 9.959e-03 / CHEB/ -2.904e-03 1.992e-02 1.573e-02 6.685e-03 /

4491.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.5	+4.7	+5.3	+5.7
log₁₀(k(10 bar)/[mole,m,s])	+2.6	+4.2	+5.1	+5.6

Chebyshev(coeffs=[[9.40171,-1.26112,-0.395928,-0.0457254],[1.72947,0.961939,0.18741,-0.0157291],[0.335316,0.093061,0.0673066,-0.00810121],[0.0987381,0.0404998,0.0315033,0.0118694],[0.0394734,0.0480567,0.0228659,0.0109423],[-0.00219879,0.0133967,0.0121732,0.00619282]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.75
S298 (cal/mol*K) = 5.38
G298 (kcal/mol) = -46.35

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H6(415); H(25), C3H5(597); C7H10(18)+H(25)(+M)=>C3H5(597)+C4H6(415)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.402e+00 -1.261e+00 -3.959e-01 -4.573e-02 / CHEB/ 1.729e+00 9.619e-01 1.874e-01 -1.573e-02 / CHEB/ 3.353e-01 9.306e-02 6.731e-02 -8.101e-03 / CHEB/ 9.874e-02 4.050e-02 3.150e-02 1.187e-02 / CHEB/ 3.947e-02 4.806e-02 2.287e-02 1.094e-02 / CHEB/ -2.199e-03 1.340e-02 1.217e-02 6.193e-03 /

4492.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+2.3	+3.4	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-0.6	+1.9	+3.2	+3.9

Chebyshev(coeffs=[[6.51531,-1.20212,-0.386902,-0.0475869],[2.67608,0.970007,0.200152,-0.0147911],[0.590661,0.0665311,0.0674872,-0.00254829],[0.126487,0.0255642,0.0268544,0.0142342],[0.0215296,0.0427664,0.0195889,0.0104107],[-0.0101241,0.0116866,0.0105333,0.00537706]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -65.37
S298 (cal/mol*K) = -25.26
G298 (kcal/mol) = -57.84

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(406); H(25), C7H11(406); C7H10(18)+H(25)(+M)=>C7H11(406)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.515e+00 -1.202e+00 -3.869e-01 -4.759e-02 / CHEB/ 2.676e+00 9.700e-01 2.002e-01 -1.479e-02 / CHEB/ 5.907e-01 6.653e-02 6.749e-02 -2.548e-03 / CHEB/ 1.265e-01 2.556e-02 2.685e-02 1.423e-02 / CHEB/ 2.153e-02 4.277e-02 1.959e-02 1.041e-02 / CHEB/ -1.012e-02 1.169e-02 1.053e-02 5.377e-03 /

4493.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.0	+1.8	+2.8	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-0.8	+1.4	+2.6	+3.3

Chebyshev(coeffs=[[6.18129,-1.21828,-0.389269,-0.0470624],[2.40381,0.969422,0.196897,-0.0150915],[0.521724,0.0740171,0.0676899,-0.00406193],[0.123217,0.0290376,0.0281762,0.0137072],[0.0304917,0.0437927,0.020384,0.010632],[-0.00690401,0.0120284,0.01089,0.00559887]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -65.37
S298 (cal/mol*K) = -25.26
G298 (kcal/mol) = -57.84

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(404); H(25), C7H11(404); C7H10(18)+H(25)(+M)=>C7H11(404)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.181e+00 -1.218e+00 -3.893e-01 -4.706e-02 / CHEB/ 2.404e+00 9.694e-01 1.969e-01 -1.509e-02 / CHEB/ 5.217e-01 7.402e-02 6.769e-02 -4.062e-03 / CHEB/ 1.232e-01 2.904e-02 2.818e-02 1.371e-02 / CHEB/ 3.049e-02 4.379e-02 2.038e-02 1.063e-02 / CHEB/ -6.904e-03 1.203e-02 1.089e-02 5.599e-03 /

4494.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.6	+1.3	+2.3	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-1.4	+0.9	+2.1	+2.9

Chebyshev(coeffs=[[5.57547,-1.20494,-0.387116,-0.0474428],[2.54745,0.971218,0.199917,-0.0147995],[0.553703,0.0684041,0.0677146,-0.00280226],[0.142713,0.025636,0.0270344,0.0142123],[0.0491953,0.0421846,0.0195447,0.0105145],[-0.00186151,0.0114624,0.0104787,0.00541554]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -63.17
S298 (cal/mol*K) = -25.68
G298 (kcal/mol) = -55.52

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(407); H(25), C7H11(407); C7H10(18)+H(25)(+M)=>C7H11(407)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.575e+00 -1.205e+00 -3.871e-01 -4.744e-02 / CHEB/ 2.547e+00 9.712e-01 1.999e-01 -1.480e-02 / CHEB/ 5.537e-01 6.840e-02 6.771e-02 -2.802e-03 / CHEB/ 1.427e-01 2.564e-02 2.703e-02 1.421e-02 / CHEB/ 4.920e-02 4.218e-02 1.954e-02 1.051e-02 / CHEB/ -1.862e-03 1.146e-02 1.048e-02 5.416e-03 /

4495.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.2	+4.1	+4.6	+4.8
log₁₀(k(10 bar)/[mole,m,s])	+2.3	+3.6	+4.3	+4.8

Chebyshev(coeffs=[[9.01013,-1.28482,-0.399625,-0.0449394],[1.38275,0.955161,0.181984,-0.0158767],[0.233324,0.103276,0.0667283,-0.0102635],[0.0795773,0.0481648,0.033247,0.0106529],[0.0389866,0.0514006,0.0244071,0.0109457],[-0.000467692,0.0144069,0.0130439,0.00649925]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -65.37
S298 (cal/mol*K) = -25.26
G298 (kcal/mol) = -57.84

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(403); H(25), C7H11(403); C7H10(18)+H(25)(+M)=>C7H11(403)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.010e+00 -1.285e+00 -3.996e-01 -4.494e-02 / CHEB/ 1.383e+00 9.552e-01 1.820e-01 -1.588e-02 / CHEB/ 2.333e-01 1.033e-01 6.673e-02 -1.026e-02 / CHEB/ 7.958e-02 4.816e-02 3.325e-02 1.065e-02 / CHEB/ 3.899e-02 5.140e-02 2.441e-02 1.095e-02 / CHEB/ -4.677e-04 1.441e-02 1.304e-02 6.499e-03 /

4496.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.8	+4.4	+4.6	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+2.8	+3.8	+4.3	+4.7

Chebyshev(coeffs=[[9.43365,-1.31052,-0.40419,-0.0442528],[1.01008,0.943017,0.175004,-0.0161584],[0.105056,0.111621,0.065041,-0.0126355],[0.0473545,0.0568508,0.034618,0.00906701],[0.0344842,0.0562609,0.0261327,0.0106694],[0.00012762,0.0164217,0.014259,0.00671785]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -86.17
S298 (cal/mol*K) = -27.45
G298 (kcal/mol) = -77.99

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(326); H(25), C7H11(326); C7H10(18)+H(25)(+M)=>C7H11(326)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.434e+00 -1.311e+00 -4.042e-01 -4.425e-02 / CHEB/ 1.010e+00 9.430e-01 1.750e-01 -1.616e-02 / CHEB/ 1.051e-01 1.116e-01 6.504e-02 -1.264e-02 / CHEB/ 4.735e-02 5.685e-02 3.462e-02 9.067e-03 / CHEB/ 3.448e-02 5.626e-02 2.613e-02 1.067e-02 / CHEB/ 1.276e-04 1.642e-02 1.426e-02 6.718e-03 /

4497.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+3.3	+3.8	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+1.5	+2.9	+3.5	+4.0

Chebyshev(coeffs=[[8.20767,-1.28809,-0.401038,-0.0451482],[1.40744,0.949522,0.179683,-0.0163214],[0.214374,0.101343,0.0654774,-0.010732],[0.0655202,0.0488537,0.0329676,0.0102451],[0.0324189,0.0527944,0.0246658,0.0107196],[-0.00291044,0.0155176,0.013434,0.00644789]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.17
S298 (cal/mol*K) = -33.22
G298 (kcal/mol) = -62.27

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(925); H(25), C7H11(925); C7H10(18)+H(25)(+M)=>C7H11(925)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.208e+00 -1.288e+00 -4.010e-01 -4.515e-02 / CHEB/ 1.407e+00 9.495e-01 1.797e-01 -1.632e-02 / CHEB/ 2.144e-01 1.013e-01 6.548e-02 -1.073e-02 / CHEB/ 6.552e-02 4.885e-02 3.297e-02 1.025e-02 / CHEB/ 3.242e-02 5.279e-02 2.467e-02 1.072e-02 / CHEB/ -2.910e-03 1.552e-02 1.343e-02 6.448e-03 /

4498.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+2.4	+3.2	+3.7
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+2.0	+3.0	+3.6

Chebyshev(coeffs=[[7.07645,-1.24095,-0.392794,-0.0463781],[1.95889,0.966319,0.19193,-0.0155141],[0.392187,0.0842107,0.067578,-0.00623541],[0.124113,0.0344795,0.0298989,0.0128024],[0.0605985,0.0454464,0.0215698,0.0108627],[0.00305415,0.0126145,0.0114992,0.00591821]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -75.05
S298 (cal/mol*K) = -26.38
G298 (kcal/mol) = -67.19

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(926); H(25), C7H11(926); C7H10(18)+H(25)(+M)=>C7H11(926)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.076e+00 -1.241e+00 -3.928e-01 -4.638e-02 / CHEB/ 1.959e+00 9.663e-01 1.919e-01 -1.551e-02 / CHEB/ 3.922e-01 8.421e-02 6.758e-02 -6.235e-03 / CHEB/ 1.241e-01 3.448e-02 2.990e-02 1.280e-02 / CHEB/ 6.060e-02 4.545e-02 2.157e-02 1.086e-02 / CHEB/ 3.054e-03 1.261e-02 1.150e-02 5.918e-03 /

4499.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.5	-5.4	-1.4	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-16.7	-5.5	-1.4	+0.7

Chebyshev(coeffs=[[-9.32484,-0.362603,-0.209145,-0.0805075],[15.3868,0.29268,0.156519,0.0490069],[0.486503,-0.0018935,0.00549451,0.00747215],[0.136032,0.0193126,0.0104532,0.00369175],[0.0132199,0.0209351,0.0130337,0.00587675],[-0.0183146,0.00271986,0.00334813,0.00296637]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.15
S298 (cal/mol*K) = 14.57
G298 (kcal/mol) = 31.81

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H8(927); H(25), C2H3(100); C7H10(18)+H(25)(+M)=>C2H3(100)+C5H8(927)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.325e+00 -3.626e-01 -2.091e-01 -8.051e-02 / CHEB/ 1.539e+01 2.927e-01 1.565e-01 4.901e-02 / CHEB/ 4.865e-01 -1.893e-03 5.495e-03 7.472e-03 / CHEB/ 1.360e-01 1.931e-02 1.045e-02 3.692e-03 / CHEB/ 1.322e-02 2.094e-02 1.303e-02 5.877e-03 / CHEB/ -1.831e-02 2.720e-03 3.348e-03 2.966e-03 /

4500.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.3	+4.2	+5.2	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+3.0	+4.4	+4.9

Chebyshev(coeffs=[[7.64905,-2.22538,-0.263795,0.0251134],[3.22689,0.933141,-0.0904021,-0.0318944],[0.312135,0.405025,-0.0052679,-0.0307948],[-0.0352801,0.215001,0.0211719,-0.0146938],[-0.101968,0.0822806,0.0315182,-0.00910492],[-0.0901083,0.00853958,0.0275183,-0.00204667]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.59
S298 (cal/mol*K) = -15.61
G298 (kcal/mol) = 1.07

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(580); H(25), C7H11(580); C7H10(65)+H(25)(+M)=>C7H11(580)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.649e+00 -2.225e+00 -2.638e-01 2.511e-02 / CHEB/ 3.227e+00 9.331e-01 -9.040e-02 -3.189e-02 / CHEB/ 3.121e-01 4.050e-01 -5.268e-03 -3.079e-02 / CHEB/ -3.528e-02 2.150e-01 2.117e-02 -1.469e-02 / CHEB/ -1.020e-01 8.228e-02 3.152e-02 -9.105e-03 / CHEB/ -9.011e-02 8.540e-03 2.752e-02 -2.047e-03 /

4501.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-2.3	+0.6	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-3.1	+0.2	+1.7

Chebyshev(coeffs=[[-4.84637,-1.30589,-0.3509,0.00497673],[12.5003,0.54316,0.0531752,-0.0439043],[0.125576,0.322239,0.0589059,-0.0285504],[-0.00897804,0.188482,0.0509006,-0.00778351],[-0.0629565,0.0472869,0.037237,0.0066302],[-0.0579073,-0.0160011,0.0167706,0.0100111]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 36.04
S298 (cal/mol*K) = 14.52
G298 (kcal/mol) = 31.71

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(530); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(530)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.846e+00 -1.306e+00 -3.509e-01 4.977e-03 / CHEB/ 1.250e+01 5.432e-01 5.318e-02 -4.390e-02 / CHEB/ 1.256e-01 3.222e-01 5.891e-02 -2.855e-02 / CHEB/ -8.978e-03 1.885e-01 5.090e-02 -7.784e-03 / CHEB/ -6.296e-02 4.729e-02 3.724e-02 6.630e-03 / CHEB/ -5.791e-02 -1.600e-02 1.677e-02 1.001e-02 /

4502.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	-0.0	+2.3	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-8.3	-0.9	+1.8	+3.0

Chebyshev(coeffs=[[-0.508385,-1.59131,-0.332794,0.0123639],[9.32117,0.720022,0.0193976,-0.0417598],[0.331703,0.359,0.0425172,-0.0334801],[0.0220013,0.194211,0.0482314,-0.0110278],[-0.0673973,0.0562982,0.0412344,0.0018517],[-0.0647642,-0.0101915,0.0220135,0.00794187]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.75
S298 (cal/mol*K) = 11.30
G298 (kcal/mol) = 16.38

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(153); H(25), H(25); C7H10(65)+H(25)(+M)=>C7H10(153)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.084e-01 -1.591e+00 -3.328e-01 1.236e-02 / CHEB/ 9.321e+00 7.200e-01 1.940e-02 -4.176e-02 / CHEB/ 3.317e-01 3.590e-01 4.252e-02 -3.348e-02 / CHEB/ 2.200e-02 1.942e-01 4.823e-02 -1.103e-02 / CHEB/ -6.740e-02 5.630e-02 4.123e-02 1.852e-03 / CHEB/ -6.476e-02 -1.019e-02 2.201e-02 7.942e-03 /

4503.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	+1.0	+3.2	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-7.1	+0.1	+2.7	+3.8

Chebyshev(coeffs=[[0.449441,-1.57826,-0.340328,0.0128016],[9.38909,0.656106,0.0172964,-0.0411672],[0.145782,0.355375,0.0370335,-0.0338368],[-0.0172134,0.198794,0.0441577,-0.0123064],[-0.0792202,0.0592176,0.0398632,0.000695984],[-0.0704897,-0.00798941,0.0222605,0.00700757]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.70
S298 (cal/mol*K) = 27.73
G298 (kcal/mol) = 17.44

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C5H8(581); H(25), C2H3(100); C7H10(65)+H(25)(+M)=>C2H3(100)+C5H8(581)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.494e-01 -1.578e+00 -3.403e-01 1.280e-02 / CHEB/ 9.389e+00 6.561e-01 1.730e-02 -4.117e-02 / CHEB/ 1.458e-01 3.554e-01 3.703e-02 -3.384e-02 / CHEB/ -1.721e-02 1.988e-01 4.416e-02 -1.231e-02 / CHEB/ -7.922e-02 5.922e-02 3.986e-02 6.960e-04 / CHEB/ -7.049e-02 -7.989e-03 2.226e-02 7.008e-03 /

4504.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.0	-2.3	+0.3	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-3.2	-0.1	+1.2

Chebyshev(coeffs=[[-4.57402,-1.34751,-0.352315,0.00665658],[11.9078,0.540502,0.0456194,-0.0435934],[0.0564699,0.326592,0.0534482,-0.0300433],[-0.0267855,0.192588,0.0487598,-0.00930591],[-0.0705974,0.0509515,0.0376533,0.00520861],[-0.062297,-0.0136825,0.0180832,0.00931153]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.63
S298 (cal/mol*K) = -6.18
G298 (kcal/mol) = -9.78

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(582); H(25), C7H11(582); C7H10(65)+H(25)(+M)=>C7H11(582)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.574e+00 -1.348e+00 -3.523e-01 6.657e-03 / CHEB/ 1.191e+01 5.405e-01 4.562e-02 -4.359e-02 / CHEB/ 5.647e-02 3.266e-01 5.345e-02 -3.004e-02 / CHEB/ -2.679e-02 1.926e-01 4.876e-02 -9.306e-03 / CHEB/ -7.060e-02 5.095e-02 3.765e-02 5.209e-03 / CHEB/ -6.230e-02 -1.368e-02 1.808e-02 9.312e-03 /

4505.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	-0.1	+1.6	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-1.1	+1.0	+1.9

Chebyshev(coeffs=[[0.713983,-1.7951,-0.324628,0.0174107],[7.22878,0.747899,-0.012212,-0.038522],[0.180625,0.376811,0.0189963,-0.0338183],[-0.0241873,0.202271,0.0374211,-0.0146798],[-0.0912832,0.0668328,0.0391864,-0.00368152],[-0.0792111,-0.00195579,0.0249891,0.00404106]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.87
S298 (cal/mol*K) = -11.25
G298 (kcal/mol) = -19.51

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(583); H(25), C7H11(583); C7H10(65)+H(25)(+M)=>C7H11(583)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.140e-01 -1.795e+00 -3.246e-01 1.741e-02 / CHEB/ 7.229e+00 7.479e-01 -1.221e-02 -3.852e-02 / CHEB/ 1.806e-01 3.768e-01 1.900e-02 -3.382e-02 / CHEB/ -2.419e-02 2.023e-01 3.742e-02 -1.468e-02 / CHEB/ -9.128e-02 6.683e-02 3.919e-02 -3.682e-03 / CHEB/ -7.921e-02 -1.956e-03 2.499e-02 4.041e-03 /

4506.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-2.0	+0.7	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-2.8	+0.3	+1.7

Chebyshev(coeffs=[[-4.28917,-1.34441,-0.35092,0.00651432],[12.014,0.551529,0.0473238,-0.0437999],[0.100173,0.326935,0.0551162,-0.0297704],[-0.0162542,0.191275,0.0496401,-0.00879899],[-0.0672175,0.04982,0.0377813,0.00560902],[-0.0606606,-0.0144533,0.0178209,0.00954776]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.13
S298 (cal/mol*K) = -5.53
G298 (kcal/mol) = -0.48

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(411); H(25), C7H11(411); C7H10(65)+H(25)(+M)=>C7H11(411)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.289e+00 -1.344e+00 -3.509e-01 6.514e-03 / CHEB/ 1.201e+01 5.515e-01 4.732e-02 -4.380e-02 / CHEB/ 1.002e-01 3.269e-01 5.512e-02 -2.977e-02 / CHEB/ -1.625e-02 1.913e-01 4.964e-02 -8.799e-03 / CHEB/ -6.722e-02 4.982e-02 3.778e-02 5.609e-03 / CHEB/ -6.066e-02 -1.445e-02 1.782e-02 9.548e-03 /

4507.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.1	-2.1	+0.4	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-11.2	-3.0	-0.0	+1.2

Chebyshev(coeffs=[[-3.6761,-1.43364,-0.347807,0.00941719],[10.9208,0.59048,0.0358742,-0.0431934],[0.117987,0.338286,0.0483567,-0.0318142],[-0.0163389,0.195015,0.0476958,-0.0102843],[-0.0717711,0.0537372,0.0389064,0.00372465],[-0.0645152,-0.0119664,0.0197184,0.00866545]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.87
S298 (cal/mol*K) = -8.23
G298 (kcal/mol) = 3.33

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(584); H(25), C7H11(584); C7H10(65)+H(25)(+M)=>C7H11(584)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.676e+00 -1.434e+00 -3.478e-01 9.417e-03 / CHEB/ 1.092e+01 5.905e-01 3.587e-02 -4.319e-02 / CHEB/ 1.180e-01 3.383e-01 4.836e-02 -3.181e-02 / CHEB/ -1.634e-02 1.950e-01 4.770e-02 -1.028e-02 / CHEB/ -7.177e-02 5.374e-02 3.891e-02 3.725e-03 / CHEB/ -6.452e-02 -1.197e-02 1.972e-02 8.665e-03 /

4508.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.1	+1.1	+2.8	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-5.4	+0.0	+2.2	+3.1

Chebyshev(coeffs=[[2.4665,-1.88622,-0.307693,0.0189897],[6.42191,0.853152,-0.0255648,-0.0401505],[0.377924,0.386455,0.0198924,-0.0325667],[0.00585374,0.20052,0.0395342,-0.0146142],[-0.0843269,0.0674819,0.0404536,-0.00409736],[-0.0765838,-0.00181691,0.0261017,0.00395509]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.07
S298 (cal/mol*K) = -8.65
G298 (kcal/mol) = 5.65

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(585); H(25), C7H11(585); C7H10(65)+H(25)(+M)=>C7H11(585)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.467e+00 -1.886e+00 -3.077e-01 1.899e-02 / CHEB/ 6.422e+00 8.532e-01 -2.556e-02 -4.015e-02 / CHEB/ 3.779e-01 3.865e-01 1.989e-02 -3.257e-02 / CHEB/ 5.854e-03 2.005e-01 3.953e-02 -1.461e-02 / CHEB/ -8.433e-02 6.748e-02 4.045e-02 -4.097e-03 / CHEB/ -7.658e-02 -1.817e-03 2.610e-02 3.955e-03 /

4509.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.8	-10.2	-4.4	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-29.2	-10.6	-4.6	-1.8

Chebyshev(coeffs=[[-21.7255,-0.523474,-0.264973,-0.0698963],[26.3385,0.186762,0.0871678,0.0145692],[-0.219802,0.174497,0.0766778,0.00926115],[-0.0806619,0.10758,0.0477185,0.00701105],[-0.0536744,0.00894089,0.0109625,0.00873127],[-0.0361748,-0.0239741,-0.00447335,0.00546645]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 86.82
S298 (cal/mol*K) = 25.68
G298 (kcal/mol) = 79.17

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(306); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(306)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.173e+01 -5.235e-01 -2.650e-01 -6.990e-02 / CHEB/ 2.634e+01 1.868e-01 8.717e-02 1.457e-02 / CHEB/ -2.198e-01 1.745e-01 7.668e-02 9.261e-03 / CHEB/ -8.066e-02 1.076e-01 4.772e-02 7.011e-03 / CHEB/ -5.367e-02 8.941e-03 1.096e-02 8.731e-03 / CHEB/ -3.617e-02 -2.397e-02 -4.473e-03 5.466e-03 /

4510.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-33.0	-12.4	-5.9	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-33.3	-12.7	-6.0	-2.9

Chebyshev(coeffs=[[-25.7151,-0.421078,-0.227944,-0.0733265],[29.1911,0.145592,0.0754652,0.02022],[-0.216911,0.145995,0.0702393,0.0142125],[-0.0806274,0.0920283,0.0441295,0.00918285],[-0.0503601,0.00552732,0.00749296,0.00667145],[-0.0325359,-0.022634,-0.00647591,0.00315124]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.32
S298 (cal/mol*K) = 26.33
G298 (kcal/mol) = 88.48

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(144); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(144)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.572e+01 -4.211e-01 -2.279e-01 -7.333e-02 / CHEB/ 2.919e+01 1.456e-01 7.547e-02 2.022e-02 / CHEB/ -2.169e-01 1.460e-01 7.024e-02 1.421e-02 / CHEB/ -8.063e-02 9.203e-02 4.413e-02 9.183e-03 / CHEB/ -5.036e-02 5.527e-03 7.493e-03 6.671e-03 / CHEB/ -3.254e-02 -2.263e-02 -6.476e-03 3.151e-03 /

4511.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.8	-8.7	-2.8	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-28.2	-9.0	-2.9	-0.2

Chebyshev(coeffs=[[-20.8007,-0.473406,-0.247697,-0.0722756],[27.1803,0.166665,0.0819948,0.0178064],[-0.328398,0.160919,0.0739357,0.0118507],[-0.112648,0.100071,0.0461052,0.00810476],[-0.0628383,0.00715009,0.00921357,0.00777357],[-0.0381828,-0.0234357,-0.00552904,0.00436488]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 90.65
S298 (cal/mol*K) = 37.27
G298 (kcal/mol) = 79.54

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C5H8(586); H(25), C2H3(100); C7H10(65)+H(25)(+M)=>C2H3(100)+C5H8(586)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.080e+01 -4.734e-01 -2.477e-01 -7.228e-02 / CHEB/ 2.718e+01 1.667e-01 8.199e-02 1.781e-02 / CHEB/ -3.284e-01 1.609e-01 7.394e-02 1.185e-02 / CHEB/ -1.126e-01 1.001e-01 4.611e-02 8.105e-03 / CHEB/ -6.284e-02 7.150e-03 9.214e-03 7.774e-03 / CHEB/ -3.818e-02 -2.344e-02 -5.529e-03 4.365e-03 /

4512.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.0	-7.4	-3.1	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-21.8	-7.9	-3.4	-1.3

Chebyshev(coeffs=[[-14.3108,-0.86361,-0.339447,-0.0330137],[19.2139,0.336006,0.0974694,-0.0197251],[-0.053852,0.252929,0.080288,-0.0102138],[-0.0381072,0.151162,0.0529567,0.0002544],[-0.0514183,0.0240933,0.0239511,0.0118866],[-0.0430835,-0.024063,0.00459978,0.0103459]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 62.73
S298 (cal/mol*K) = 12.36
G298 (kcal/mol) = 59.05

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(57); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(57)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.431e+01 -8.636e-01 -3.394e-01 -3.301e-02 / CHEB/ 1.921e+01 3.360e-01 9.747e-02 -1.973e-02 / CHEB/ -5.385e-02 2.529e-01 8.029e-02 -1.021e-02 / CHEB/ -3.811e-02 1.512e-01 5.296e-02 2.544e-04 / CHEB/ -5.142e-02 2.409e-02 2.395e-02 1.189e-02 / CHEB/ -4.308e-02 -2.406e-02 4.600e-03 1.035e-02 /

4513.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.2	-13.9	-7.1	-3.9
log₁₀(k(10 bar)/[mole,m,s])	-35.5	-14.1	-7.2	-3.9

Chebyshev(coeffs=[[-27.8216,-0.392634,-0.216472,-0.0731995],[30.2111,0.133941,0.0713704,0.0210609],[-0.186261,0.137755,0.0679208,0.015297],[-0.0714031,0.0875358,0.0429084,0.00972608],[-0.0464361,0.00475111,0.00661201,0.00604398],[-0.0304623,-0.0220866,-0.00691007,0.00247933]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.32
S298 (cal/mol*K) = 23.63
G298 (kcal/mol) = 92.28

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(140); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(140)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.782e+01 -3.926e-01 -2.165e-01 -7.320e-02 / CHEB/ 3.021e+01 1.339e-01 7.137e-02 2.106e-02 / CHEB/ -1.863e-01 1.378e-01 6.792e-02 1.530e-02 / CHEB/ -7.140e-02 8.754e-02 4.291e-02 9.726e-03 / CHEB/ -4.644e-02 4.751e-03 6.612e-03 6.044e-03 / CHEB/ -3.046e-02 -2.209e-02 -6.910e-03 2.479e-03 /

4514.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.2	-13.4	-6.4	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-35.5	-13.6	-6.5	-3.1

Chebyshev(coeffs=[[-27.7371,-0.373214,-0.208334,-0.0727992],[30.9364,0.126054,0.0684101,0.0214263],[-0.164768,0.131966,0.0661684,0.0159498],[-0.0653232,0.0843995,0.0420057,0.0100752],[-0.0437665,0.00426442,0.00603353,0.00560686],[-0.0290333,-0.0216621,-0.00717262,0.00201653]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 101.52
S298 (cal/mol*K) = 23.21
G298 (kcal/mol) = 94.61

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(143); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(143)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.774e+01 -3.732e-01 -2.083e-01 -7.280e-02 / CHEB/ 3.094e+01 1.261e-01 6.841e-02 2.143e-02 / CHEB/ -1.648e-01 1.320e-01 6.617e-02 1.595e-02 / CHEB/ -6.532e-02 8.440e-02 4.201e-02 1.008e-02 / CHEB/ -4.377e-02 4.264e-03 6.034e-03 5.607e-03 / CHEB/ -2.903e-02 -2.166e-02 -7.173e-03 2.017e-03 /

4515.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	-0.3	+1.5	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-1.3	+1.0	+1.9

Chebyshev(coeffs=[[0.249431,-1.75411,-0.325835,0.0162066],[7.61511,0.750978,-0.00561737,-0.0393199],[0.231774,0.374299,0.0245687,-0.0340008],[-0.0110663,0.200456,0.0404263,-0.0140072],[-0.0854588,0.0645619,0.0401301,-0.00248869],[-0.0758319,-0.00378116,0.024589,0.00500461]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.88
S298 (cal/mol*K) = -14.34
G298 (kcal/mol) = -2.60

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(587); H(25), C7H11(587); C7H10(65)+H(25)(+M)=>C7H11(587)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.494e-01 -1.754e+00 -3.258e-01 1.621e-02 / CHEB/ 7.615e+00 7.510e-01 -5.617e-03 -3.932e-02 / CHEB/ 2.318e-01 3.743e-01 2.457e-02 -3.400e-02 / CHEB/ -1.107e-02 2.005e-01 4.043e-02 -1.401e-02 / CHEB/ -8.546e-02 6.456e-02 4.013e-02 -2.489e-03 / CHEB/ -7.583e-02 -3.781e-03 2.459e-02 5.005e-03 /

4516.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-0.7	+1.5	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-1.7	+1.0	+2.2

Chebyshev(coeffs=[[-1.60106,-1.53913,-0.342728,0.0119953],[9.8008,0.637318,0.0222797,-0.0417542],[0.134019,0.350853,0.0400423,-0.0334569],[-0.0176171,0.198058,0.0450912,-0.0118232],[-0.0774124,0.0578657,0.0396831,0.0014849],[-0.0690058,-0.00902028,0.0216391,0.00746292]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.02
S298 (cal/mol*K) = -7.63
G298 (kcal/mol) = -6.74

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(588); H(25), C7H11(588); C7H10(65)+H(25)(+M)=>C7H11(588)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.601e+00 -1.539e+00 -3.427e-01 1.200e-02 / CHEB/ 9.801e+00 6.373e-01 2.228e-02 -4.175e-02 / CHEB/ 1.340e-01 3.509e-01 4.004e-02 -3.346e-02 / CHEB/ -1.762e-02 1.981e-01 4.509e-02 -1.182e-02 / CHEB/ -7.741e-02 5.787e-02 3.968e-02 1.485e-03 / CHEB/ -6.901e-02 -9.020e-03 2.164e-02 7.463e-03 /

4517.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.7	-12.4	-5.3	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-35.0	-12.6	-5.4	-2.0

Chebyshev(coeffs=[[-27.3222,-0.334568,-0.191393,-0.0711943],[31.8056,0.110278,0.0620207,0.0216156],[-0.267186,0.120254,0.0623317,0.0169967],[-0.095599,0.0780004,0.0400324,0.0106959],[-0.0525848,0.00340122,0.0049467,0.00473062],[-0.0311537,-0.0206912,-0.00759964,0.00110349]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.67
S298 (cal/mol*K) = 35.57
G298 (kcal/mol) = 86.07

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C4H6(450); H(25), C3H5(129); C7H10(65)+H(25)(+M)=>C3H5(129)+C4H6(450)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.732e+01 -3.346e-01 -1.914e-01 -7.119e-02 / CHEB/ 3.181e+01 1.103e-01 6.202e-02 2.162e-02 / CHEB/ -2.672e-01 1.203e-01 6.233e-02 1.700e-02 / CHEB/ -9.560e-02 7.800e-02 4.003e-02 1.070e-02 / CHEB/ -5.258e-02 3.401e-03 4.947e-03 4.731e-03 / CHEB/ -3.115e-02 -2.069e-02 -7.600e-03 1.103e-03 /

4518.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.1	-8.9	-3.2	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-27.5	-9.3	-3.4	-0.6

Chebyshev(coeffs=[[-20.0381,-0.553326,-0.274529,-0.0679283],[25.7582,0.198677,0.0897422,0.0122761],[-0.181089,0.18233,0.0779797,0.00759723],[-0.0693585,0.111944,0.0485489,0.00634306],[-0.0508295,0.0101154,0.012047,0.00924779],[-0.0358761,-0.0241918,-0.0037807,0.00608662]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.46
S298 (cal/mol*K) = 27.62
G298 (kcal/mol) = 68.23

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C4H6(304); H(25), C3H5(98); C7H10(65)+H(25)(+M)=>C3H5(98)+C4H6(304)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.004e+01 -5.533e-01 -2.745e-01 -6.793e-02 / CHEB/ 2.576e+01 1.987e-01 8.974e-02 1.228e-02 / CHEB/ -1.811e-01 1.823e-01 7.798e-02 7.597e-03 / CHEB/ -6.936e-02 1.119e-01 4.855e-02 6.343e-03 / CHEB/ -5.083e-02 1.012e-02 1.205e-02 9.248e-03 / CHEB/ -3.588e-02 -2.419e-02 -3.781e-03 6.087e-03 /

4519.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-38.2	-15.9	-8.7	-5.3
log₁₀(k(10 bar)/[mole,m,s])	-38.4	-16.1	-8.8	-5.3

Chebyshev(coeffs=[[-30.6218,-0.354542,-0.200044,-0.0718645],[31.521,0.124638,0.0684526,0.0222851],[-0.102787,0.126199,0.0645332,0.0167874],[-0.047618,0.0798731,0.0405334,0.0104527],[-0.0371069,0.0026928,0.00499858,0.00513313],[-0.0259585,-0.0216549,-0.00769608,0.00142073]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 103.17
S298 (cal/mol*K) = 17.38
G298 (kcal/mol) = 98.00

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(589); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(589)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.062e+01 -3.545e-01 -2.000e-01 -7.186e-02 / CHEB/ 3.152e+01 1.246e-01 6.845e-02 2.229e-02 / CHEB/ -1.028e-01 1.262e-01 6.453e-02 1.679e-02 / CHEB/ -4.762e-02 7.987e-02 4.053e-02 1.045e-02 / CHEB/ -3.711e-02 2.693e-03 4.999e-03 5.133e-03 / CHEB/ -2.596e-02 -2.165e-02 -7.696e-03 1.421e-03 /

4522.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+3.7	+5.1	+5.5
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+2.5	+4.5	+5.3

Chebyshev(coeffs=[[4.75283,-2.92781,-0.764523,-0.0567501],[6.34579,1.91456,0.183851,-0.0901718],[0.319803,0.366228,0.17548,-0.00200349],[-0.00480612,0.174456,0.0960447,0.0146645],[-0.0793321,0.050583,0.0380709,0.0163058],[-0.089004,-0.0248541,0.00492981,0.00933239]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.35
S298 (cal/mol*K) = -11.22
G298 (kcal/mol) = -7.00

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(516); H(25), C7H11(516); C7H10(65)+H(25)(+M)=>C7H11(516)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.753e+00 -2.928e+00 -7.645e-01 -5.675e-02 / CHEB/ 6.346e+00 1.915e+00 1.839e-01 -9.017e-02 / CHEB/ 3.198e-01 3.662e-01 1.755e-01 -2.003e-03 / CHEB/ -4.806e-03 1.745e-01 9.604e-02 1.466e-02 / CHEB/ -7.933e-02 5.058e-02 3.807e-02 1.631e-02 / CHEB/ -8.900e-02 -2.485e-02 4.930e-03 9.332e-03 /

4523.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	+2.5	+4.6	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-5.6	+1.5	+4.1	+5.2

Chebyshev(coeffs=[[2.26768,-2.42468,-0.780787,-0.0869108],[8.51502,1.61688,0.280178,-0.0655838],[0.51316,0.281083,0.17384,0.0160828],[0.0153357,0.172254,0.0869393,0.0207942],[-0.0799849,0.0517675,0.0331292,0.015187],[-0.0839891,-0.027078,0.00107906,0.00795575]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.89
S298 (cal/mol*K) = 16.58
G298 (kcal/mol) = 8.95

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(517); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(517)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.268e+00 -2.425e+00 -7.808e-01 -8.691e-02 / CHEB/ 8.515e+00 1.617e+00 2.802e-01 -6.558e-02 / CHEB/ 5.132e-01 2.811e-01 1.738e-01 1.608e-02 / CHEB/ 1.534e-02 1.723e-01 8.694e-02 2.079e-02 / CHEB/ -7.998e-02 5.177e-02 3.313e-02 1.519e-02 / CHEB/ -8.399e-02 -2.708e-02 1.079e-03 7.956e-03 /

4524.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.0	+5.2	+6.7	+7.2
log₁₀(k(10 bar)/[mole,m,s])	-2.0	+4.0	+6.1	+6.9

Chebyshev(coeffs=[[5.92807,-2.82755,-0.768995,-0.0626884],[6.78678,1.8662,0.202658,-0.0861886],[0.366821,0.34012,0.177783,0.00153494],[-0.00258846,0.172464,0.094141,0.0163396],[-0.0808817,0.0517696,0.0365462,0.0162954],[-0.0885544,-0.0248062,0.00406406,0.0089671]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.13
S298 (cal/mol*K) = 25.03
G298 (kcal/mol) = -17.59

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C4H6(415); H(25), C3H5(98); C7H10(65)+H(25)(+M)=>C3H5(98)+C4H6(415)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.928e+00 -2.828e+00 -7.690e-01 -6.269e-02 / CHEB/ 6.787e+00 1.866e+00 2.027e-01 -8.619e-02 / CHEB/ 3.668e-01 3.401e-01 1.778e-01 1.535e-03 / CHEB/ -2.588e-03 1.725e-01 9.414e-02 1.634e-02 / CHEB/ -8.088e-02 5.177e-02 3.655e-02 1.630e-02 / CHEB/ -8.855e-02 -2.481e-02 4.064e-03 8.967e-03 /

4525.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	+1.3	+3.4	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-6.8	+0.3	+2.9	+3.9

Chebyshev(coeffs=[[0.977659,-2.38127,-0.789441,-0.0906565],[8.61564,1.54406,0.285608,-0.0626395],[0.445027,0.288903,0.168265,0.0155699],[-0.00136516,0.177181,0.0864723,0.0196959],[-0.0849441,0.0529641,0.0336963,0.0147204],[-0.0853072,-0.0266905,0.00140295,0.00804674]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -32.40
S298 (cal/mol*K) = -9.81
G298 (kcal/mol) = -29.47

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(518); H(25), C7H11(518); C7H10(65)+H(25)(+M)=>C7H11(518)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.777e-01 -2.381e+00 -7.894e-01 -9.066e-02 / CHEB/ 8.616e+00 1.544e+00 2.856e-01 -6.264e-02 / CHEB/ 4.450e-01 2.889e-01 1.683e-01 1.557e-02 / CHEB/ -1.365e-03 1.772e-01 8.647e-02 1.970e-02 / CHEB/ -8.494e-02 5.296e-02 3.370e-02 1.472e-02 / CHEB/ -8.531e-02 -2.669e-02 1.403e-03 8.047e-03 /

4526.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+1.8	+3.9	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-6.3	+0.8	+3.4	+4.4

Chebyshev(coeffs=[[1.52436,-2.41595,-0.782778,-0.0876549],[8.52693,1.60133,0.281302,-0.0650366],[0.499174,0.282837,0.172605,0.0159472],[0.0113966,0.173384,0.0868387,0.020549],[-0.081133,0.052057,0.0332654,0.0150798],[-0.0842999,-0.0269883,0.00116419,0.00797828]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.33
S298 (cal/mol*K) = -7.68
G298 (kcal/mol) = -28.04

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(519); H(25), C7H11(519); C7H10(65)+H(25)(+M)=>C7H11(519)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.524e+00 -2.416e+00 -7.828e-01 -8.765e-02 / CHEB/ 8.527e+00 1.601e+00 2.813e-01 -6.504e-02 / CHEB/ 4.992e-01 2.828e-01 1.726e-01 1.595e-02 / CHEB/ 1.140e-02 1.734e-01 8.684e-02 2.055e-02 / CHEB/ -8.113e-02 5.206e-02 3.327e-02 1.508e-02 / CHEB/ -8.430e-02 -2.699e-02 1.164e-03 7.978e-03 /

4527.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	+0.2	+2.8	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-0.7	+2.4	+3.7

Chebyshev(coeffs=[[-1.96732,-1.78329,-0.755528,-0.142763],[11.4705,1.02641,0.324775,-0.0028504],[0.370896,0.284871,0.146017,0.0248945],[-0.00224295,0.186929,0.0844514,0.0179855],[-0.0842161,0.046486,0.0315114,0.0142224],[-0.0802211,-0.0295291,-0.00281123,0.00712601]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.80
S298 (cal/mol*K) = -2.94
G298 (kcal/mol) = -5.92

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(520); H(25), C7H11(520); C7H10(65)+H(25)(+M)=>C7H11(520)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.967e+00 -1.783e+00 -7.555e-01 -1.428e-01 / CHEB/ 1.147e+01 1.026e+00 3.248e-01 -2.850e-03 / CHEB/ 3.709e-01 2.849e-01 1.460e-01 2.489e-02 / CHEB/ -2.243e-03 1.869e-01 8.445e-02 1.799e-02 / CHEB/ -8.422e-02 4.649e-02 3.151e-02 1.422e-02 / CHEB/ -8.022e-02 -2.953e-02 -2.811e-03 7.126e-03 /

4528.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.7	+3.7	+5.3	+5.8
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+2.5	+4.8	+5.6

Chebyshev(coeffs=[[4.31052,-2.77706,-0.768033,-0.0653947],[7.0246,1.85443,0.213461,-0.0839808],[0.41549,0.328279,0.179989,0.0039632],[0.00787659,0.169631,0.0935875,0.0175939],[-0.0786624,0.0512057,0.0357415,0.0164621],[-0.0873686,-0.0251777,0.00339188,0.00880795]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -6.80
S298 (cal/mol*K) = -2.94
G298 (kcal/mol) = -5.92

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(521); H(25), C7H11(521); C7H10(65)+H(25)(+M)=>C7H11(521)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.311e+00 -2.777e+00 -7.680e-01 -6.539e-02 / CHEB/ 7.025e+00 1.854e+00 2.135e-01 -8.398e-02 / CHEB/ 4.155e-01 3.283e-01 1.800e-01 3.963e-03 / CHEB/ 7.877e-03 1.696e-01 9.359e-02 1.759e-02 / CHEB/ -7.866e-02 5.121e-02 3.574e-02 1.646e-02 / CHEB/ -8.737e-02 -2.518e-02 3.392e-03 8.808e-03 /

4529.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	+3.2	+5.0	+5.6
log₁₀(k(10 bar)/[mole,m,s])	-4.2	+2.1	+4.5	+5.4

Chebyshev(coeffs=[[3.70726,-2.70236,-0.770307,-0.0697345],[7.3479,1.81512,0.228126,-0.0805744],[0.452201,0.312934,0.180598,0.00678875],[0.0118383,0.168951,0.092076,0.018745],[-0.0786175,0.0515328,0.0348397,0.0163323],[-0.0865496,-0.0255139,0.0027946,0.00855227]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.60
S298 (cal/mol*K) = -3.36
G298 (kcal/mol) = -3.60

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(522); H(25), C7H11(522); C7H10(65)+H(25)(+M)=>C7H11(522)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.707e+00 -2.702e+00 -7.703e-01 -6.973e-02 / CHEB/ 7.348e+00 1.815e+00 2.281e-01 -8.057e-02 / CHEB/ 4.522e-01 3.129e-01 1.806e-01 6.789e-03 / CHEB/ 1.184e-02 1.690e-01 9.208e-02 1.874e-02 / CHEB/ -7.862e-02 5.153e-02 3.484e-02 1.633e-02 / CHEB/ -8.655e-02 -2.551e-02 2.795e-03 8.552e-03 /

4530.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+3.3	+5.0	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-3.9	+2.2	+4.4	+5.2

Chebyshev(coeffs=[[4.02854,-2.79902,-0.767337,-0.0641215],[6.92971,1.86525,0.20917,-0.0849394],[0.403955,0.33324,0.179649,0.00313366],[0.00668903,0.169951,0.094021,0.0172285],[-0.0786347,0.051073,0.036037,0.0164827],[-0.0875881,-0.0251051,0.00357721,0.00888665]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.60
S298 (cal/mol*K) = -3.36
G298 (kcal/mol) = -3.60

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(523); H(25), C7H11(523); C7H10(65)+H(25)(+M)=>C7H11(523)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.029e+00 -2.799e+00 -7.673e-01 -6.412e-02 / CHEB/ 6.930e+00 1.865e+00 2.092e-01 -8.494e-02 / CHEB/ 4.040e-01 3.332e-01 1.796e-01 3.134e-03 / CHEB/ 6.689e-03 1.700e-01 9.402e-02 1.723e-02 / CHEB/ -7.863e-02 5.107e-02 3.604e-02 1.648e-02 / CHEB/ -8.759e-02 -2.511e-02 3.577e-03 8.887e-03 /

4531.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	+2.5	+5.1	+6.0
log₁₀(k(10 bar)/[mole,m,s])	-7.1	+1.7	+4.7	+5.9

Chebyshev(coeffs=[[0.225487,-1.71156,-0.747615,-0.1508],[11.585,0.936034,0.314399,0.00593371],[0.229795,0.290991,0.143391,0.0236033],[-0.032353,0.191533,0.0853518,0.0171017],[-0.0924653,0.0469381,0.0315515,0.014095],[-0.0827532,-0.0291783,-0.00288825,0.00707605]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.77
S298 (cal/mol*K) = 28.69
G298 (kcal/mol) = 24.22

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C4H6(408); H(25), C3H5(98); C7H10(65)+H(25)(+M)=>C3H5(98)+C4H6(408)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.255e-01 -1.712e+00 -7.476e-01 -1.508e-01 / CHEB/ 1.158e+01 9.360e-01 3.144e-01 5.934e-03 / CHEB/ 2.298e-01 2.910e-01 1.434e-01 2.360e-02 / CHEB/ -3.235e-02 1.915e-01 8.535e-02 1.710e-02 / CHEB/ -9.247e-02 4.694e-02 3.155e-02 1.410e-02 / CHEB/ -8.275e-02 -2.918e-02 -2.888e-03 7.076e-03 /

4532.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.4	-4.3	-0.2	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-18.1	-4.8	-0.4	+1.5

Chebyshev(coeffs=[[-10.7841,-0.978432,-0.53005,-0.17623],[18.3387,0.425215,0.211152,0.0540137],[0.134714,0.231068,0.119235,0.0321162],[-0.038394,0.168595,0.0844501,0.0220059],[-0.0805647,0.0310261,0.0228493,0.0126795],[-0.069411,-0.0302322,-0.00965205,0.00272384]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 56.43
S298 (cal/mol*K) = 20.55
G298 (kcal/mol) = 50.31

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(524); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(524)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.078e+01 -9.784e-01 -5.300e-01 -1.762e-01 / CHEB/ 1.834e+01 4.252e-01 2.112e-01 5.401e-02 / CHEB/ 1.347e-01 2.311e-01 1.192e-01 3.212e-02 / CHEB/ -3.839e-02 1.686e-01 8.445e-02 2.201e-02 / CHEB/ -8.056e-02 3.103e-02 2.285e-02 1.268e-02 / CHEB/ -6.941e-02 -3.023e-02 -9.652e-03 2.724e-03 /

4533.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.6	-7.3	-1.8	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-26.0	-7.6	-2.0	+0.4

Chebyshev(coeffs=[[-18.7274,-0.506118,-0.310258,-0.135856],[25.8937,0.170394,0.103519,0.0442591],[-0.367013,0.148005,0.0843182,0.0309619],[-0.186715,0.112409,0.0648518,0.024656],[-0.115468,0.0169446,0.0133254,0.00848767],[-0.0704376,-0.0218508,-0.0102829,-0.00166518]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 85.63
S298 (cal/mol*K) = 40.76
G298 (kcal/mol) = 73.48

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C5H8(525); H(25), C2H3(100); C7H10(65)+H(25)(+M)=>C2H3(100)+C5H8(525)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.873e+01 -5.061e-01 -3.103e-01 -1.359e-01 / CHEB/ 2.589e+01 1.704e-01 1.035e-01 4.426e-02 / CHEB/ -3.670e-01 1.480e-01 8.432e-02 3.096e-02 / CHEB/ -1.867e-01 1.124e-01 6.485e-02 2.466e-02 / CHEB/ -1.155e-01 1.694e-02 1.333e-02 8.488e-03 / CHEB/ -7.044e-02 -2.185e-02 -1.028e-02 -1.665e-03 /

4534.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.1	-6.9	-1.9	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-23.6	-7.3	-2.1	+0.3

Chebyshev(coeffs=[[-16.2014,-0.697555,-0.40703,-0.16023],[22.7198,0.26121,0.147092,0.0527529],[-0.0260544,0.187923,0.101705,0.0324444],[-0.0821445,0.14047,0.0760729,0.024587],[-0.0863257,0.0232329,0.0178335,0.0107882],[-0.0654425,-0.026256,-0.0106003,8.2071e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.77
S298 (cal/mol*K) = 23.46
G298 (kcal/mol) = 63.78

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(387); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(387)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.620e+01 -6.976e-01 -4.070e-01 -1.602e-01 / CHEB/ 2.272e+01 2.612e-01 1.471e-01 5.275e-02 / CHEB/ -2.605e-02 1.879e-01 1.017e-01 3.244e-02 / CHEB/ -8.214e-02 1.405e-01 7.607e-02 2.459e-02 / CHEB/ -8.633e-02 2.323e-02 1.783e-02 1.079e-02 / CHEB/ -6.544e-02 -2.626e-02 -1.060e-02 8.207e-05 /

4535.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.4	-11.7	-5.3	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-32.7	-12.0	-5.4	-2.4

Chebyshev(coeffs=[[-25.1215,-0.425185,-0.266051,-0.121521],[29.137,0.138139,0.0863142,0.0391798],[-0.17564,0.128677,0.0752895,0.029537],[-0.134762,0.0981477,0.0582858,0.0237265],[-0.0962285,0.0138345,0.0110192,0.00718369],[-0.0610728,-0.0196504,-0.00987141,-0.00228866]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 94.30
S298 (cal/mol*K) = 28.20
G298 (kcal/mol) = 85.90

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(526); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(526)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.512e+01 -4.252e-01 -2.661e-01 -1.215e-01 / CHEB/ 2.914e+01 1.381e-01 8.631e-02 3.918e-02 / CHEB/ -1.756e-01 1.287e-01 7.529e-02 2.954e-02 / CHEB/ -1.348e-01 9.815e-02 5.829e-02 2.373e-02 / CHEB/ -9.623e-02 1.383e-02 1.102e-02 7.184e-03 / CHEB/ -6.107e-02 -1.965e-02 -9.871e-03 -2.289e-03 /

4536.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.4	-11.7	-5.3	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-32.7	-12.0	-5.4	-2.4

H298 (kcal/mol) = 94.30
S298 (cal/mol*K) = 28.20
G298 (kcal/mol) = 85.90

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(527); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(527)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.512e+01 -4.252e-01 -2.661e-01 -1.215e-01 / CHEB/ 2.914e+01 1.381e-01 8.631e-02 3.918e-02 / CHEB/ -1.756e-01 1.287e-01 7.529e-02 2.954e-02 / CHEB/ -1.348e-01 9.815e-02 5.829e-02 2.373e-02 / CHEB/ -9.623e-02 1.383e-02 1.102e-02 7.184e-03 / CHEB/ -6.107e-02 -1.965e-02 -9.871e-03 -2.289e-03 /

4537.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.4	-11.2	-4.6	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-32.7	-11.4	-4.7	-1.6

Chebyshev(coeffs=[[-25.0272,-0.405064,-0.254756,-0.117562],[29.8432,0.130397,0.0820224,0.0377484],[-0.162699,0.123655,0.0728602,0.0290655],[-0.132217,0.0944283,0.0564874,0.0233796],[-0.0948223,0.0130612,0.0104308,0.00683432],[-0.0598775,-0.0190539,-0.00972664,-0.00241987]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 96.50
S298 (cal/mol*K) = 27.78
G298 (kcal/mol) = 88.23

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(460); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(460)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.503e+01 -4.051e-01 -2.548e-01 -1.176e-01 / CHEB/ 2.984e+01 1.304e-01 8.202e-02 3.775e-02 / CHEB/ -1.627e-01 1.237e-01 7.286e-02 2.907e-02 / CHEB/ -1.322e-01 9.443e-02 5.649e-02 2.338e-02 / CHEB/ -9.482e-02 1.306e-02 1.043e-02 6.834e-03 / CHEB/ -5.988e-02 -1.905e-02 -9.727e-03 -2.420e-03 /

4538.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.4	-11.2	-4.6	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-32.7	-11.4	-4.7	-1.6

H298 (kcal/mol) = 96.50
S298 (cal/mol*K) = 27.78
G298 (kcal/mol) = 88.23

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(181); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(181)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.503e+01 -4.051e-01 -2.548e-01 -1.176e-01 / CHEB/ 2.984e+01 1.304e-01 8.202e-02 3.775e-02 / CHEB/ -1.627e-01 1.237e-01 7.286e-02 2.907e-02 / CHEB/ -1.322e-01 9.443e-02 5.649e-02 2.338e-02 / CHEB/ -9.482e-02 1.306e-02 1.043e-02 6.834e-03 / CHEB/ -5.988e-02 -1.905e-02 -9.727e-03 -2.420e-03 /

4539.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.3	+3.4	+4.7	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-3.4	+2.1	+4.1	+4.8

Chebyshev(coeffs=[[4.4841,-2.97725,-0.764884,-0.0540583],[6.18075,1.92272,0.173579,-0.0919806],[0.272934,0.379512,0.172472,-0.00424322],[-0.0141807,0.178108,0.0962757,0.0133642],[-0.0810015,0.0510511,0.0389244,0.0160126],[-0.0898976,-0.0247042,0.00564601,0.0094512]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -32.71
S298 (cal/mol*K) = -9.85
G298 (kcal/mol) = -29.77

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H11(416); H(25), C7H11(416); C7H10(65)+H(25)(+M)=>C7H11(416)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.484e+00 -2.977e+00 -7.649e-01 -5.406e-02 / CHEB/ 6.181e+00 1.923e+00 1.736e-01 -9.198e-02 / CHEB/ 2.729e-01 3.795e-01 1.725e-01 -4.243e-03 / CHEB/ -1.418e-02 1.781e-01 9.628e-02 1.336e-02 / CHEB/ -8.100e-02 5.105e-02 3.892e-02 1.601e-02 / CHEB/ -8.990e-02 -2.470e-02 5.646e-03 9.451e-03 /

4540.

→

PDepNetwork #22

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-34.0	-12.8	-6.2	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-34.2	-13.1	-6.3	-3.3

Chebyshev(coeffs=[[-26.5763,-0.406869,-0.255688,-0.117804],[29.7198,0.135789,0.0851818,0.0389881],[-0.132316,0.123961,0.0730631,0.0291731],[-0.126085,0.0937941,0.0561335,0.0232605],[-0.0936119,0.0123301,0.0100443,0.00672216],[-0.0596147,-0.0193775,-0.00991811,-0.00249754]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 95.50
S298 (cal/mol*K) = 24.85
G298 (kcal/mol) = 88.10

! PDep reaction: PDepNetwork #22 ! Flux pairs: C7H10(65), C7H10(528); H(25), H(25); C7H10(65)+H(25)(+M)=>H(25)+C7H10(528)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.658e+01 -4.069e-01 -2.557e-01 -1.178e-01 / CHEB/ 2.972e+01 1.358e-01 8.518e-02 3.899e-02 / CHEB/ -1.323e-01 1.240e-01 7.306e-02 2.917e-02 / CHEB/ -1.261e-01 9.379e-02 5.613e-02 2.326e-02 / CHEB/ -9.361e-02 1.233e-02 1.004e-02 6.722e-03 / CHEB/ -5.961e-02 -1.938e-02 -9.918e-03 -2.498e-03 /

4565.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+4.1	+4.7	+4.9
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+3.3	+4.3	+4.8

Chebyshev(coeffs=[[8.27715,-1.63452,-0.574308,-0.0796017],[2.01972,0.963402,0.169495,-0.0494074],[0.447581,0.355646,0.188984,0.0214926],[0.0682227,0.129259,0.0862944,0.0363672],[-0.027035,0.0176867,0.0113696,0.0107737],[-0.0371018,-0.0160529,-0.00433673,-0.000359066]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -33.85
S298 (cal/mol*K) = -8.76
G298 (kcal/mol) = -31.24

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(928); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(928)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.277e+00 -1.635e+00 -5.743e-01 -7.960e-02 / CHEB/ 2.020e+00 9.634e-01 1.695e-01 -4.941e-02 / CHEB/ 4.476e-01 3.556e-01 1.890e-01 2.149e-02 / CHEB/ 6.822e-02 1.293e-01 8.629e-02 3.637e-02 / CHEB/ -2.703e-02 1.769e-02 1.137e-02 1.077e-02 / CHEB/ -3.710e-02 -1.605e-02 -4.337e-03 -3.591e-04 /

4566.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.9	+0.5	+2.6	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-5.7	+0.1	+2.4	+3.6

Chebyshev(coeffs=[[1.60391,-1.13299,-0.501306,-0.111071],[7.23283,0.766015,0.237962,-0.0112014],[0.70476,0.188017,0.143027,0.0549473],[0.0963381,0.0784622,0.0498854,0.0273386],[-0.0211779,0.0184193,0.008016,0.00351835],[-0.0321178,-0.0136681,-0.00404372,-0.000129649]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.88
S298 (cal/mol*K) = 14.57
G298 (kcal/mol) = 9.54

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H4(910); H(25), C3H7(867); C7H10(18)+H(25)(+M)=>C4H4(910)+C3H7(867)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.604e+00 -1.133e+00 -5.013e-01 -1.111e-01 / CHEB/ 7.233e+00 7.660e-01 2.380e-01 -1.120e-02 / CHEB/ 7.048e-01 1.880e-01 1.430e-01 5.495e-02 / CHEB/ 9.634e-02 7.846e-02 4.989e-02 2.734e-02 / CHEB/ -2.118e-02 1.842e-02 8.016e-03 3.518e-03 / CHEB/ -3.212e-02 -1.367e-02 -4.044e-03 -1.296e-04 /

4567.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	-1.4	+0.3	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-1.9	+0.1	+1.1

Chebyshev(coeffs=[[0.832725,-1.32665,-0.529483,-0.0968513],[5.3877,0.898086,0.221559,-0.0327904],[0.790276,0.223714,0.16707,0.0493873],[0.0883008,0.0845368,0.0579492,0.0331369],[-0.0227677,0.0175165,0.0064777,0.00450276],[-0.0328042,-0.0134236,-0.00364794,-0.000576083]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.05
S298 (cal/mol*K) = -8.88
G298 (kcal/mol) = 5.70

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(929); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(929)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.327e-01 -1.327e+00 -5.295e-01 -9.685e-02 / CHEB/ 5.388e+00 8.981e-01 2.216e-01 -3.279e-02 / CHEB/ 7.903e-01 2.237e-01 1.671e-01 4.939e-02 / CHEB/ 8.830e-02 8.454e-02 5.795e-02 3.314e-02 / CHEB/ -2.277e-02 1.752e-02 6.478e-03 4.503e-03 / CHEB/ -3.280e-02 -1.342e-02 -3.648e-03 -5.761e-04 /

4568.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.7	-4.7	-1.8	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-5.1	-1.9	-0.4

Chebyshev(coeffs=[[-6.04309,-0.817986,-0.423372,-0.129429],[11.0158,0.526628,0.222112,0.0276703],[0.565725,0.139749,0.102203,0.0503103],[0.116024,0.0759749,0.0446998,0.0202226],[-0.00856376,0.018918,0.0102168,0.00369416],[-0.0280708,-0.0140969,-0.00534657,-0.000130669]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.65
S298 (cal/mol*K) = -3.38
G298 (kcal/mol) = 29.66

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(930); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(930)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.043e+00 -8.180e-01 -4.234e-01 -1.294e-01 / CHEB/ 1.102e+01 5.266e-01 2.221e-01 2.767e-02 / CHEB/ 5.657e-01 1.397e-01 1.022e-01 5.031e-02 / CHEB/ 1.160e-01 7.597e-02 4.470e-02 2.022e-02 / CHEB/ -8.564e-03 1.892e-02 1.022e-02 3.694e-03 / CHEB/ -2.807e-02 -1.410e-02 -5.347e-03 -1.307e-04 /

4569.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	-2.4	-0.4	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-8.3	-2.8	-0.6	+0.6

Chebyshev(coeffs=[[-0.948609,-1.20291,-0.512697,-0.10575],[6.66586,0.816534,0.234009,-0.0197918],[0.768487,0.199438,0.152049,0.0539114],[0.100855,0.0799264,0.0521545,0.0293569],[-0.0195363,0.0181959,0.00741401,0.00372275],[-0.0314584,-0.0135509,-0.00382919,-0.000257706]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.91
S298 (cal/mol*K) = -5.76
G298 (kcal/mol) = 11.63

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(931); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(931)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.486e-01 -1.203e+00 -5.127e-01 -1.058e-01 / CHEB/ 6.666e+00 8.165e-01 2.340e-01 -1.979e-02 / CHEB/ 7.685e-01 1.994e-01 1.520e-01 5.391e-02 / CHEB/ 1.009e-01 7.993e-02 5.215e-02 2.936e-02 / CHEB/ -1.954e-02 1.820e-02 7.414e-03 3.723e-03 / CHEB/ -3.146e-02 -1.355e-02 -3.829e-03 -2.577e-04 /

4570.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.4	+5.2	+5.3	+5.1
log₁₀(k(10 bar)/[mole,m,s])	+3.1	+4.4	+4.9	+5.0

Chebyshev(coeffs=[[9.9036,-1.72677,-0.593373,-0.0761506],[0.990344,0.916042,0.143118,-0.0520336],[0.151715,0.391596,0.185046,0.0107701],[0.00330879,0.161756,0.0940793,0.0321936],[-0.0425412,0.0282729,0.0168394,0.011739],[-0.0423248,-0.0150267,-0.00268489,0.00050091]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.10
S298 (cal/mol*K) = -41.38
G298 (kcal/mol) = -59.77

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(932); H(25), C7H11(932); C7H10(18)+H(25)(+M)=>C7H11(932)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.904e+00 -1.727e+00 -5.934e-01 -7.615e-02 / CHEB/ 9.903e-01 9.160e-01 1.431e-01 -5.203e-02 / CHEB/ 1.517e-01 3.916e-01 1.850e-01 1.077e-02 / CHEB/ 3.309e-03 1.618e-01 9.408e-02 3.219e-02 / CHEB/ -4.254e-02 2.827e-02 1.684e-02 1.174e-02 / CHEB/ -4.232e-02 -1.503e-02 -2.685e-03 5.009e-04 /

4571.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.1	-10.9	-5.6	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-27.2	-11.0	-5.7	-3.0

Chebyshev(coeffs=[[-19.8667,-0.224308,-0.147266,-0.0738327],[22.8266,0.0903096,0.0576681,0.0273834],[0.0486605,0.0485668,0.0323638,0.0166686],[0.00751902,0.0487061,0.0312255,0.0149609],[-0.0218865,0.0135202,0.00899542,0.00461731],[-0.0239054,-0.00740208,-0.00437562,-0.00174457]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 63.44
S298 (cal/mol*K) = 10.94
G298 (kcal/mol) = 60.17

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C5H9(933); H(25), C2H2(913); C7H10(18)+H(25)(+M)=>C5H9(933)+C2H2(913)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.987e+01 -2.243e-01 -1.473e-01 -7.383e-02 / CHEB/ 2.283e+01 9.031e-02 5.767e-02 2.738e-02 / CHEB/ 4.866e-02 4.857e-02 3.236e-02 1.667e-02 / CHEB/ 7.519e-03 4.871e-02 3.123e-02 1.496e-02 / CHEB/ -2.189e-02 1.352e-02 8.995e-03 4.617e-03 / CHEB/ -2.391e-02 -7.402e-03 -4.376e-03 -1.745e-03 /

4572.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+3.9	+4.3	+4.4
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+3.1	+4.0	+4.3

Chebyshev(coeffs=[[8.26571,-1.66391,-0.579937,-0.0783307],[1.69694,0.952463,0.162063,-0.0502082],[0.365361,0.369646,0.188717,0.0180876],[0.0560556,0.139303,0.0892638,0.0353521],[-0.0281299,0.0200487,0.0130305,0.011305],[-0.037739,-0.0162586,-0.00400985,-6.52235e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -38.51
S298 (cal/mol*K) = -8.88
G298 (kcal/mol) = -35.87

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H10(934); H(25), H(25); C7H10(18)+H(25)(+M)=>H(25)+C7H10(934)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.266e+00 -1.664e+00 -5.799e-01 -7.833e-02 / CHEB/ 1.697e+00 9.525e-01 1.621e-01 -5.021e-02 / CHEB/ 3.654e-01 3.696e-01 1.887e-01 1.809e-02 / CHEB/ 5.606e-02 1.393e-01 8.926e-02 3.535e-02 / CHEB/ -2.813e-02 2.005e-02 1.303e-02 1.130e-02 / CHEB/ -3.774e-02 -1.626e-02 -4.010e-03 -6.522e-05 /

4573.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.5	+3.7	+4.0	+4.1
log₁₀(k(10 bar)/[mole,m,s])	+1.2	+2.9	+3.7	+3.9

Chebyshev(coeffs=[[8.16399,-1.68627,-0.585551,-0.0779489],[1.50303,0.936328,0.153954,-0.051329],[0.289109,0.374845,0.186639,0.0154027],[0.0332566,0.146901,0.0907305,0.0341129],[-0.034947,0.0236941,0.0144964,0.0113328],[-0.0403581,-0.0151953,-0.00335365,0.000102447]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.19
S298 (cal/mol*K) = -26.80
G298 (kcal/mol) = -60.20

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(935); H(25), C7H11(935); C7H10(18)+H(25)(+M)=>C7H11(935)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.164e+00 -1.686e+00 -5.856e-01 -7.795e-02 / CHEB/ 1.503e+00 9.363e-01 1.540e-01 -5.133e-02 / CHEB/ 2.891e-01 3.748e-01 1.866e-01 1.540e-02 / CHEB/ 3.326e-02 1.469e-01 9.073e-02 3.411e-02 / CHEB/ -3.495e-02 2.369e-02 1.450e-02 1.133e-02 / CHEB/ -4.036e-02 -1.520e-02 -3.354e-03 1.024e-04 /

4574.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+0.3	+1.3	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-3.3	-0.3	+1.0	+1.7

Chebyshev(coeffs=[[3.99129,-1.54544,-0.559535,-0.0841715],[2.99331,0.97301,0.187573,-0.0466492],[0.627045,0.307342,0.185825,0.0314244],[0.0793128,0.106339,0.0765668,0.0375266],[-0.026722,0.0161966,0.00796598,0.00848146],[-0.0358914,-0.0142638,-0.00426266,-0.000925833]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -79.41
S298 (cal/mol*K) = -29.14
G298 (kcal/mol) = -70.73

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(936); H(25), C7H11(936); C7H10(18)+H(25)(+M)=>C7H11(936)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.991e+00 -1.545e+00 -5.595e-01 -8.417e-02 / CHEB/ 2.993e+00 9.730e-01 1.876e-01 -4.665e-02 / CHEB/ 6.270e-01 3.073e-01 1.858e-01 3.142e-02 / CHEB/ 7.931e-02 1.063e-01 7.657e-02 3.753e-02 / CHEB/ -2.672e-02 1.620e-02 7.966e-03 8.481e-03 / CHEB/ -3.589e-02 -1.426e-02 -4.263e-03 -9.258e-04 /

4575.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.5	+3.0	+3.5	+3.7
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+2.2	+3.2	+3.6

Chebyshev(coeffs=[[7.25427,-1.64503,-0.576015,-0.0790131],[1.9029,0.961245,0.167382,-0.0495766],[0.423893,0.361746,0.189275,0.0202998],[0.0676246,0.132741,0.0874895,0.0361079],[-0.0259058,0.0180874,0.011889,0.0110376],[-0.0367985,-0.0163809,-0.00431855,-0.000251106]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -63.59
S298 (cal/mol*K) = -25.56
G298 (kcal/mol) = -55.97

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(937); H(25), C7H11(937); C7H10(18)+H(25)(+M)=>C7H11(937)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.254e+00 -1.645e+00 -5.760e-01 -7.901e-02 / CHEB/ 1.903e+00 9.612e-01 1.674e-01 -4.958e-02 / CHEB/ 4.239e-01 3.617e-01 1.893e-01 2.030e-02 / CHEB/ 6.762e-02 1.327e-01 8.749e-02 3.611e-02 / CHEB/ -2.591e-02 1.809e-02 1.189e-02 1.104e-02 / CHEB/ -3.680e-02 -1.638e-02 -4.319e-03 -2.511e-04 /

4576.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.6	+6.0	+5.8	+5.6
log₁₀(k(10 bar)/[mole,m,s])	+4.2	+5.1	+5.4	+5.4

Chebyshev(coeffs=[[10.9073,-1.77408,-0.602441,-0.0739245],[0.556016,0.887655,0.130176,-0.0523373],[0.0133884,0.408821,0.182331,0.00558906],[-0.0187526,0.180703,0.0975155,0.0295432],[-0.0402128,0.0358662,0.0197897,0.0118638],[-0.0412265,-0.0139916,-0.00161212,0.000942477]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -76.36
S298 (cal/mol*K) = -31.72
G298 (kcal/mol) = -66.91

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(938); H(25), C7H11(938); C7H10(18)+H(25)(+M)=>C7H11(938)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.091e+01 -1.774e+00 -6.024e-01 -7.392e-02 / CHEB/ 5.560e-01 8.877e-01 1.302e-01 -5.234e-02 / CHEB/ 1.339e-02 4.088e-01 1.823e-01 5.589e-03 / CHEB/ -1.875e-02 1.807e-01 9.752e-02 2.954e-02 / CHEB/ -4.021e-02 3.587e-02 1.979e-02 1.186e-02 / CHEB/ -4.123e-02 -1.399e-02 -1.612e-03 9.425e-04 /

4577.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.4	+5.1	+5.1	+5.0
log₁₀(k(10 bar)/[mole,m,s])	+3.0	+4.2	+4.7	+4.8

Chebyshev(coeffs=[[9.81826,-1.74222,-0.596797,-0.0756473],[0.954693,0.905098,0.138097,-0.0524111],[0.123128,0.395507,0.183651,0.0090266],[0.000569734,0.167395,0.0949751,0.0312656],[-0.0395046,0.0310269,0.0177988,0.0116919],[-0.041773,-0.0143398,-0.00226376,0.00060373]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -55.70
S298 (cal/mol*K) = -36.31
G298 (kcal/mol) = -44.88

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(939); H(25), C7H11(939); C7H10(18)+H(25)(+M)=>C7H11(939)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.818e+00 -1.742e+00 -5.968e-01 -7.565e-02 / CHEB/ 9.547e-01 9.051e-01 1.381e-01 -5.241e-02 / CHEB/ 1.231e-01 3.955e-01 1.837e-01 9.027e-03 / CHEB/ 5.697e-04 1.674e-01 9.498e-02 3.127e-02 / CHEB/ -3.950e-02 3.103e-02 1.780e-02 1.169e-02 / CHEB/ -4.177e-02 -1.434e-02 -2.264e-03 6.037e-04 /

4578.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.1	+3.4	+3.8	+3.9
log₁₀(k(10 bar)/[mole,m,s])	+0.8	+2.7	+3.5	+3.8

Chebyshev(coeffs=[[7.83466,-1.66875,-0.581331,-0.0783316],[1.63614,0.948194,0.160008,-0.0505451],[0.343444,0.370209,0.188083,0.0174859],[0.0475284,0.140892,0.0895148,0.0350486],[-0.0315334,0.02098,0.0133694,0.0112833],[-0.0388596,-0.0159028,-0.00382431,-3.24907e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -65.99
S298 (cal/mol*K) = -24.84
G298 (kcal/mol) = -58.59

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C7H11(940); H(25), C7H11(940); C7H10(18)+H(25)(+M)=>C7H11(940)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.835e+00 -1.669e+00 -5.813e-01 -7.833e-02 / CHEB/ 1.636e+00 9.482e-01 1.600e-01 -5.055e-02 / CHEB/ 3.434e-01 3.702e-01 1.881e-01 1.749e-02 / CHEB/ 4.753e-02 1.409e-01 8.951e-02 3.505e-02 / CHEB/ -3.153e-02 2.098e-02 1.337e-02 1.128e-02 / CHEB/ -3.886e-02 -1.590e-02 -3.824e-03 -3.249e-05 /

4579.

→

PDepNetwork #21

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-2.8	+0.0	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-3.1	-0.1	+1.4

Chebyshev(coeffs=[[-4.1991,-0.779383,-0.41054,-0.130326],[11.0861,0.496932,0.216301,0.0315713],[0.446211,0.133867,0.0973861,0.0489069],[0.0869172,0.0756455,0.0443453,0.0196215],[-0.0169065,0.018928,0.010402,0.00380162],[-0.0309074,-0.0140625,-0.00549315,-0.000205346]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.59
S298 (cal/mol*K) = 9.32
G298 (kcal/mol) = 18.82

! PDep reaction: PDepNetwork #21 ! Flux pairs: C7H10(18), C4H8(941); H(25), C3H3(785); C7H10(18)+H(25)(+M)=>C3H3(785)+C4H8(941)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.199e+00 -7.794e-01 -4.105e-01 -1.303e-01 / CHEB/ 1.109e+01 4.969e-01 2.163e-01 3.157e-02 / CHEB/ 4.462e-01 1.339e-01 9.739e-02 4.891e-02 / CHEB/ 8.692e-02 7.565e-02 4.435e-02 1.962e-02 / CHEB/ -1.691e-02 1.893e-02 1.040e-02 3.802e-03 / CHEB/ -3.091e-02 -1.406e-02 -5.493e-03 -2.053e-04 /

4620.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+2.6	+4.2	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-5.1	+1.9	+3.9	+4.4

Chebyshev(coeffs=[[2.90051,-1.9431,-0.282811,-0.0490384],[7.6981,1.36285,0.0595189,0.0150257],[0.33612,0.404023,0.0493252,-0.00296479],[-0.291272,0.0237098,0.0306595,-0.0192795],[-0.192635,-0.0403415,0.0278472,0.00293373],[-0.0796586,-0.0372046,0.0052344,0.00963227]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.69
S298 (cal/mol*K) = 16.47
G298 (kcal/mol) = 5.78

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(942); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(942)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.901e+00 -1.943e+00 -2.828e-01 -4.904e-02 / CHEB/ 7.698e+00 1.363e+00 5.952e-02 1.503e-02 / CHEB/ 3.361e-01 4.040e-01 4.933e-02 -2.965e-03 / CHEB/ -2.913e-01 2.371e-02 3.066e-02 -1.928e-02 / CHEB/ -1.926e-01 -4.034e-02 2.785e-02 2.934e-03 / CHEB/ -7.966e-02 -3.720e-02 5.234e-03 9.632e-03 /

4621.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.9	-4.1	-0.4	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-17.6	-4.3	-0.4	+1.1

Chebyshev(coeffs=[[-10.2156,-0.875777,-0.320944,-0.0385107],[17.8636,0.752197,0.213829,-0.0133526],[-0.12839,0.145154,0.0836328,0.0208026],[-0.255906,-0.0457971,0.00168538,0.012004],[-0.142309,-0.0410555,-0.0159196,0.00154819],[-0.0544418,-0.0168983,-0.0106159,-0.00281417]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 52.85
S298 (cal/mol*K) = 25.30
G298 (kcal/mol) = 45.31

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(943); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(943)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.022e+01 -8.758e-01 -3.209e-01 -3.851e-02 / CHEB/ 1.786e+01 7.522e-01 2.138e-01 -1.335e-02 / CHEB/ -1.284e-01 1.452e-01 8.363e-02 2.080e-02 / CHEB/ -2.559e-01 -4.580e-02 1.685e-03 1.200e-02 / CHEB/ -1.423e-01 -4.106e-02 -1.592e-02 1.548e-03 / CHEB/ -5.444e-02 -1.690e-02 -1.062e-02 -2.814e-03 /

4622.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	+0.8	+2.7	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-7.7	+0.2	+2.4	+3.0

Chebyshev(coeffs=[[0.292129,-1.81091,-0.279621,-0.0477062],[8.966,1.3289,0.0643754,0.0169137],[0.301413,0.372786,0.0614119,-0.0121308],[-0.268754,0.00707781,0.039766,-0.0132597],[-0.180604,-0.0500783,0.0221176,0.0081261],[-0.0745933,-0.0384021,-0.00114415,0.00937197]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -42.82
S298 (cal/mol*K) = -5.90
G298 (kcal/mol) = -41.06

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(944); H(25), C7H10(944); C7H9(5)+H(25)(+M)=>C7H10(944)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.921e-01 -1.811e+00 -2.796e-01 -4.771e-02 / CHEB/ 8.966e+00 1.329e+00 6.438e-02 1.691e-02 / CHEB/ 3.014e-01 3.728e-01 6.141e-02 -1.213e-02 / CHEB/ -2.688e-01 7.078e-03 3.977e-02 -1.326e-02 / CHEB/ -1.806e-01 -5.008e-02 2.212e-02 8.126e-03 / CHEB/ -7.459e-02 -3.840e-02 -1.144e-03 9.372e-03 /

4623.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.5	-2.6	+0.4	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-14.4	-2.9	+0.4	+1.5

Chebyshev(coeffs=[[-6.88789,-1.16531,-0.321353,-0.0186367],[14.9186,0.959197,0.165724,-0.0340276],[-0.0288237,0.21202,0.0979048,0.00690427],[-0.253591,-0.0382646,0.0204254,0.0135516],[-0.153044,-0.0505604,-0.00969421,0.00791864],[-0.0607843,-0.0256974,-0.0124488,0.000123737]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.57
S298 (cal/mol*K) = 2.28
G298 (kcal/mol) = 14.90

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(945); H(25), C7H10(945); C7H9(5)+H(25)(+M)=>C7H10(945)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.888e+00 -1.165e+00 -3.214e-01 -1.864e-02 / CHEB/ 1.492e+01 9.592e-01 1.657e-01 -3.403e-02 / CHEB/ -2.882e-02 2.120e-01 9.790e-02 6.904e-03 / CHEB/ -2.536e-01 -3.826e-02 2.043e-02 1.355e-02 / CHEB/ -1.530e-01 -5.056e-02 -9.694e-03 7.919e-03 / CHEB/ -6.078e-02 -2.570e-02 -1.245e-02 1.237e-04 /

4624.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-2.2	+0.5	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-2.5	+0.4	+1.4

Chebyshev(coeffs=[[-5.4293,-1.33346,-0.311022,-0.0180725],[13.3133,1.05749,0.128065,-0.0294294],[-0.0046842,0.254901,0.0966546,-0.00430474],[-0.258978,-0.0276385,0.0306818,0.0100605],[-0.16077,-0.0529015,-0.00264884,0.0108162],[-0.0638539,-0.0304186,-0.0113231,0.00266445]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.67
S298 (cal/mol*K) = -1.82
G298 (kcal/mol) = 3.22

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(946); H(25), C7H10(946); C7H9(5)+H(25)(+M)=>C7H10(946)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.429e+00 -1.333e+00 -3.110e-01 -1.807e-02 / CHEB/ 1.331e+01 1.057e+00 1.281e-01 -2.943e-02 / CHEB/ -4.684e-03 2.549e-01 9.665e-02 -4.305e-03 / CHEB/ -2.590e-01 -2.764e-02 3.068e-02 1.006e-02 / CHEB/ -1.608e-01 -5.290e-02 -2.649e-03 1.082e-02 / CHEB/ -6.385e-02 -3.042e-02 -1.132e-02 2.664e-03 /

4625.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-2.2	+0.5	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-13.0	-2.5	+0.4	+1.4

H298 (kcal/mol) = 2.67
S298 (cal/mol*K) = -1.82
G298 (kcal/mol) = 3.22

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(947); H(25), C7H10(947); C7H9(5)+H(25)(+M)=>C7H10(947)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.429e+00 -1.333e+00 -3.110e-01 -1.807e-02 / CHEB/ 1.331e+01 1.057e+00 1.281e-01 -2.943e-02 / CHEB/ -4.684e-03 2.549e-01 9.665e-02 -4.305e-03 / CHEB/ -2.590e-01 -2.764e-02 3.068e-02 1.006e-02 / CHEB/ -1.608e-01 -5.290e-02 -2.649e-03 1.082e-02 / CHEB/ -6.385e-02 -3.042e-02 -1.132e-02 2.664e-03 /

4626.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.2	-4.9	-1.4	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-18.0	-5.1	-1.4	-0.1

Chebyshev(coeffs=[[-10.6557,-0.916108,-0.325466,-0.0355247],[17.2529,0.771342,0.207576,-0.0179571],[-0.187774,0.158236,0.0863713,0.0186867],[-0.269827,-0.042387,0.00513094,0.0125604],[-0.161808,-0.0419484,-0.0148018,0.00273109],[-0.0577009,-0.0189426,-0.010962,-0.00222443]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.57
S298 (cal/mol*K) = 2.28
G298 (kcal/mol) = 14.90

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(948); H(25), C7H10(948); C7H9(5)+H(25)(+M)=>C7H10(948)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.066e+01 -9.161e-01 -3.255e-01 -3.552e-02 / CHEB/ 1.725e+01 7.713e-01 2.076e-01 -1.796e-02 / CHEB/ -1.878e-01 1.582e-01 8.637e-02 1.869e-02 / CHEB/ -2.698e-01 -4.239e-02 5.131e-03 1.256e-02 / CHEB/ -1.618e-01 -4.195e-02 -1.480e-02 2.731e-03 / CHEB/ -5.770e-02 -1.894e-02 -1.096e-02 -2.224e-03 /

4627.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.5	+1.8	+3.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+1.1	+3.1	+3.5

Chebyshev(coeffs=[[2.15084,-1.95206,-0.283642,-0.0491017],[7.61218,1.35706,0.0581982,0.0149071],[0.315872,0.405745,0.0480328,-0.00260029],[-0.296332,0.0259901,0.0296717,-0.019564],[-0.195086,-0.0387677,0.0279795,0.00242131],[-0.0809279,-0.0365721,0.00589322,0.00951272]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.67
S298 (cal/mol*K) = -1.82
G298 (kcal/mol) = 3.22

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(949); H(25), C7H10(949); C7H9(5)+H(25)(+M)=>C7H10(949)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.151e+00 -1.952e+00 -2.836e-01 -4.910e-02 / CHEB/ 7.612e+00 1.357e+00 5.820e-02 1.491e-02 / CHEB/ 3.159e-01 4.057e-01 4.803e-02 -2.600e-03 / CHEB/ -2.963e-01 2.599e-02 2.967e-02 -1.956e-02 / CHEB/ -1.951e-01 -3.877e-02 2.798e-02 2.421e-03 / CHEB/ -8.093e-02 -3.657e-02 5.893e-03 9.513e-03 /

4628.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-2.5	-0.1	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-2.9	-0.2	+0.6

Chebyshev(coeffs=[[-4.87526,-1.49012,-0.295375,-0.0259791],[11.9137,1.15689,0.0958181,-0.0135744],[0.083175,0.292724,0.0908455,-0.0130304],[-0.259827,-0.0190517,0.0380375,0.00429349],[-0.167719,-0.0544859,0.0045326,0.0122852],[-0.0690675,-0.033674,-0.00946476,0.0049964]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.62
S298 (cal/mol*K) = -6.91
G298 (kcal/mol) = -32.56

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(950); H(25), C7H10(950); C7H9(5)+H(25)(+M)=>C7H10(950)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.875e+00 -1.490e+00 -2.954e-01 -2.598e-02 / CHEB/ 1.191e+01 1.157e+00 9.582e-02 -1.357e-02 / CHEB/ 8.318e-02 2.927e-01 9.085e-02 -1.303e-02 / CHEB/ -2.598e-01 -1.905e-02 3.804e-02 4.293e-03 / CHEB/ -1.677e-01 -5.449e-02 4.533e-03 1.229e-02 / CHEB/ -6.907e-02 -3.367e-02 -9.465e-03 4.996e-03 /

4629.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	+1.3	+3.0	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-6.6	+0.7	+2.7	+3.2

Chebyshev(coeffs=[[1.38174,-1.90042,-0.282295,-0.0494399],[8.10712,1.34598,0.0602455,0.0169941],[0.302593,0.394231,0.0519424,-0.00678848],[-0.287003,0.0197471,0.0340555,-0.0175788],[-0.190177,-0.0430801,0.0262533,0.00460222],[-0.0788267,-0.0374781,0.00329932,0.00962455]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.87
S298 (cal/mol*K) = -2.24
G298 (kcal/mol) = 5.54

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(951); H(25), C7H10(951); C7H9(5)+H(25)(+M)=>C7H10(951)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.382e+00 -1.900e+00 -2.823e-01 -4.944e-02 / CHEB/ 8.107e+00 1.346e+00 6.025e-02 1.699e-02 / CHEB/ 3.026e-01 3.942e-01 5.194e-02 -6.788e-03 / CHEB/ -2.870e-01 1.975e-02 3.406e-02 -1.758e-02 / CHEB/ -1.902e-01 -4.308e-02 2.625e-02 4.602e-03 / CHEB/ -7.883e-02 -3.748e-02 3.299e-03 9.625e-03 /

4630.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.3	+0.2	+2.1	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-0.4	+1.9	+2.5

Chebyshev(coeffs=[[-0.746078,-1.73664,-0.283125,-0.043349],[9.64171,1.26382,0.0628733,0.0119283],[0.153691,0.356436,0.067087,-0.0159568],[-0.280788,0.00604581,0.0407912,-0.00950008],[-0.183576,-0.0490775,0.0183486,0.00945331],[-0.0774914,-0.0365673,-0.00252891,0.00853563]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.57
S298 (cal/mol*K) = 2.28
G298 (kcal/mol) = 14.90

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(952); H(25), C7H10(952); C7H9(5)+H(25)(+M)=>C7H10(952)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.461e-01 -1.737e+00 -2.831e-01 -4.335e-02 / CHEB/ 9.642e+00 1.264e+00 6.287e-02 1.193e-02 / CHEB/ 1.537e-01 3.564e-01 6.709e-02 -1.596e-02 / CHEB/ -2.808e-01 6.046e-03 4.079e-02 -9.500e-03 / CHEB/ -1.836e-01 -4.908e-02 1.835e-02 9.453e-03 / CHEB/ -7.749e-02 -3.657e-02 -2.529e-03 8.536e-03 /

4631.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-1.4	+1.5	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.2	-1.9	+1.2	+2.7

Chebyshev(coeffs=[[-1.71166,-1.45047,-0.0486462,0.0429563],[9.56895,0.928697,-0.19571,-0.105466],[0.87399,0.365345,0.042268,-0.018958],[0.031755,0.0344065,0.0462596,0.00988087],[-0.0446403,-0.0520701,0.026043,0.00817625],[-0.0127257,-0.0484011,0.00539721,0.00469825]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.77
S298 (cal/mol*K) = 1.86
G298 (kcal/mol) = 17.22

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(953); H(25), C7H10(953); C7H9(5)+H(25)(+M)=>C7H10(953)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.712e+00 -1.450e+00 -4.865e-02 4.296e-02 / CHEB/ 9.569e+00 9.287e-01 -1.957e-01 -1.055e-01 / CHEB/ 8.740e-01 3.653e-01 4.227e-02 -1.896e-02 / CHEB/ 3.175e-02 3.441e-02 4.626e-02 9.881e-03 / CHEB/ -4.464e-02 -5.207e-02 2.604e-02 8.176e-03 / CHEB/ -1.273e-02 -4.840e-02 5.397e-03 4.698e-03 /

4632.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.9	-5.4	-2.1	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-17.7	-5.6	-2.2	-1.0

Chebyshev(coeffs=[[-10.3028,-1.05929,-0.326447,-0.0238618],[15.9105,0.88003,0.18617,-0.0304718],[-0.0971269,0.189053,0.0943379,0.0127049],[-0.261075,-0.0403998,0.0138622,0.0137553],[-0.151165,-0.0472521,-0.0123796,0.0057775],[-0.0596037,-0.0228592,-0.0120645,-0.00100411]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.98
S298 (cal/mol*K) = 0.93
G298 (kcal/mol) = 20.71

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(954); H(25), C7H10(954); C7H9(5)+H(25)(+M)=>C7H10(954)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.030e+01 -1.059e+00 -3.264e-01 -2.386e-02 / CHEB/ 1.591e+01 8.800e-01 1.862e-01 -3.047e-02 / CHEB/ -9.713e-02 1.891e-01 9.434e-02 1.270e-02 / CHEB/ -2.611e-01 -4.040e-02 1.386e-02 1.376e-02 / CHEB/ -1.512e-01 -4.725e-02 -1.238e-02 5.777e-03 / CHEB/ -5.960e-02 -2.286e-02 -1.206e-02 -1.004e-03 /

4633.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	-0.8	+1.2	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-1.4	+0.9	+1.5

Chebyshev(coeffs=[[-1.84079,-1.72139,-0.283732,-0.0423116],[9.77593,1.25525,0.0636171,0.0105847],[0.135928,0.35288,0.0686281,-0.0163573],[-0.281331,0.00484279,0.0409981,-0.00866943],[-0.18342,-0.0493093,0.0176026,0.00978848],[-0.0771457,-0.0364192,-0.00290576,0.00836579]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.55
S298 (cal/mol*K) = -2.66
G298 (kcal/mol) = 11.35

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(955); H(25), C7H10(955); C7H9(5)+H(25)(+M)=>C7H10(955)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.841e+00 -1.721e+00 -2.837e-01 -4.231e-02 / CHEB/ 9.776e+00 1.255e+00 6.362e-02 1.058e-02 / CHEB/ 1.359e-01 3.529e-01 6.863e-02 -1.636e-02 / CHEB/ -2.813e-01 4.843e-03 4.100e-02 -8.669e-03 / CHEB/ -1.834e-01 -4.931e-02 1.760e-02 9.788e-03 / CHEB/ -7.715e-02 -3.642e-02 -2.906e-03 8.366e-03 /

4634.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	+2.2	+3.2	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+1.4	+2.7	+2.8

Chebyshev(coeffs=[[4.32237,-2.24071,-0.278005,-0.0313307],[4.82926,1.36103,0.0191071,-0.0175732],[0.35246,0.459136,0.0503796,0.0225476],[-0.348977,0.053851,-0.00333619,-0.018314],[-0.226684,-0.00990748,0.0232614,-0.011226],[-0.0931031,-0.0218195,0.0197329,0.00530922]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -64.78
S298 (cal/mol*K) = -11.06
G298 (kcal/mol) = -61.48

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(956); H(25), C7H10(956); C7H9(5)+H(25)(+M)=>C7H10(956)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.322e+00 -2.241e+00 -2.780e-01 -3.133e-02 / CHEB/ 4.829e+00 1.361e+00 1.911e-02 -1.757e-02 / CHEB/ 3.525e-01 4.591e-01 5.038e-02 2.255e-02 / CHEB/ -3.490e-01 5.385e-02 -3.336e-03 -1.831e-02 / CHEB/ -2.267e-01 -9.907e-03 2.326e-02 -1.123e-02 / CHEB/ -9.310e-02 -2.182e-02 1.973e-02 5.309e-03 /

4635.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.3	+2.2	+3.2	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+1.4	+2.7	+2.8

H298 (kcal/mol) = -48.25
S298 (cal/mol*K) = -5.84
G298 (kcal/mol) = -46.51

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(957); H(25), C7H10(957); C7H9(5)+H(25)(+M)=>C7H10(957)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.322e+00 -2.241e+00 -2.780e-01 -3.133e-02 / CHEB/ 4.829e+00 1.361e+00 1.911e-02 -1.757e-02 / CHEB/ 3.525e-01 4.591e-01 5.038e-02 2.255e-02 / CHEB/ -3.490e-01 5.385e-02 -3.336e-03 -1.831e-02 / CHEB/ -2.267e-01 -9.907e-03 2.326e-02 -1.123e-02 / CHEB/ -9.310e-02 -2.182e-02 1.973e-02 5.309e-03 /

4636.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-45.6	-18.3	-10.0	-6.2
log₁₀(k(10 bar)/[mole,m,s])	-45.6	-18.4	-10.0	-6.2

Chebyshev(coeffs=[[-37.7437,-0.0714003,-0.0448123,-0.0206666],[38.5324,0.0564817,0.0339227,0.0142128],[-0.514936,0.00606724,0.0040434,0.0020832],[-0.281939,-0.0100876,-0.00581838,-0.00222736],[-0.11624,-3.71991e-05,-0.000375644,-0.000486691],[-0.0463657,0.000500205,0.00027205,9.19499e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 119.20
S298 (cal/mol*K) = 39.90
G298 (kcal/mol) = 107.31

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H8(958); H(25), CH2(T)(82); C7H9(5)+H(25)(+M)=>CH2(T)(82)+C6H8(958)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.774e+01 -7.140e-02 -4.481e-02 -2.067e-02 / CHEB/ 3.853e+01 5.648e-02 3.392e-02 1.421e-02 / CHEB/ -5.149e-01 6.067e-03 4.043e-03 2.083e-03 / CHEB/ -2.819e-01 -1.009e-02 -5.818e-03 -2.227e-03 / CHEB/ -1.162e-01 -3.720e-05 -3.756e-04 -4.867e-04 / CHEB/ -4.637e-02 5.002e-04 2.720e-04 9.195e-05 /

4637.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-1.1	+0.6	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-9.1	-1.7	+0.3	+0.7

Chebyshev(coeffs=[[-1.30232,-1.86006,-0.285187,-0.0488032],[8.47814,1.28533,0.054586,0.0174814],[0.142045,0.385035,0.0520471,-0.0112818],[-0.303306,0.0232045,0.0351405,-0.0158825],[-0.196529,-0.0406501,0.0241592,0.00521091],[-0.0829655,-0.0353857,0.00300526,0.00913102]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.84
S298 (cal/mol*K) = -3.93
G298 (kcal/mol) = 15.01

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(959); H(25), C7H10(959); C7H9(5)+H(25)(+M)=>C7H10(959)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.302e+00 -1.860e+00 -2.852e-01 -4.880e-02 / CHEB/ 8.478e+00 1.285e+00 5.459e-02 1.748e-02 / CHEB/ 1.420e-01 3.850e-01 5.205e-02 -1.128e-02 / CHEB/ -3.033e-01 2.320e-02 3.514e-02 -1.588e-02 / CHEB/ -1.965e-01 -4.065e-02 2.416e-02 5.211e-03 / CHEB/ -8.297e-02 -3.539e-02 3.005e-03 9.131e-03 /

4638.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.7	-2.5	+0.3	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-2.9	+0.1	+1.1

Chebyshev(coeffs=[[-6.14097,-1.27539,-0.317094,-0.0170532],[13.8362,1.01464,0.140752,-0.033006],[-0.0491935,0.242974,0.0970298,-0.000663218],[-0.266463,-0.0283507,0.0277868,0.0113133],[-0.162591,-0.0511751,-0.00444367,0.00993089],[-0.0659259,-0.0286505,-0.0114892,0.00197433]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.57
S298 (cal/mol*K) = -2.82
G298 (kcal/mol) = -18.73

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(524); H(25), C7H10(524); C7H9(5)+H(25)(+M)=>C7H10(524)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.141e+00 -1.275e+00 -3.171e-01 -1.705e-02 / CHEB/ 1.384e+01 1.015e+00 1.408e-01 -3.301e-02 / CHEB/ -4.919e-02 2.430e-01 9.703e-02 -6.632e-04 / CHEB/ -2.665e-01 -2.835e-02 2.779e-02 1.131e-02 / CHEB/ -1.626e-01 -5.118e-02 -4.444e-03 9.931e-03 / CHEB/ -6.593e-02 -2.865e-02 -1.149e-02 1.974e-03 /

4639.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.9	-4.2	-0.5	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-17.6	-4.4	-0.6	+1.0

Chebyshev(coeffs=[[-10.2958,-0.881357,-0.323987,-0.0390157],[17.8542,0.741589,0.210705,-0.0138636],[-0.170485,0.15145,0.083671,0.0195597],[-0.261637,-0.0416952,0.00327289,0.0118965],[-0.129947,-0.0408533,-0.0149798,0.00204828],[-0.0491768,-0.017661,-0.0106724,-0.00252956]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.30
S298 (cal/mol*K) = 4.83
G298 (kcal/mol) = 16.87

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(527); H(25), C7H10(527); C7H9(5)+H(25)(+M)=>C7H10(527)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.030e+01 -8.814e-01 -3.240e-01 -3.902e-02 / CHEB/ 1.785e+01 7.416e-01 2.107e-01 -1.386e-02 / CHEB/ -1.705e-01 1.514e-01 8.367e-02 1.956e-02 / CHEB/ -2.616e-01 -4.170e-02 3.273e-03 1.190e-02 / CHEB/ -1.299e-01 -4.085e-02 -1.498e-02 2.048e-03 / CHEB/ -4.918e-02 -1.766e-02 -1.067e-02 -2.530e-03 /

4640.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.3	-4.4	-1.0	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-17.1	-4.6	-1.1	+0.2

Chebyshev(coeffs=[[-9.76176,-0.979981,-0.327822,-0.0299677],[16.643,0.816055,0.198808,-0.0243424],[-0.208538,0.174745,0.0902941,0.0159247],[-0.274349,-0.0406248,0.00926771,0.0132272],[-0.132915,-0.0454923,-0.0137237,0.00431563],[-0.0662439,-0.0206988,-0.011538,-0.00166228]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.30
S298 (cal/mol*K) = 4.83
G298 (kcal/mol) = 16.87

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(526); H(25), C7H10(526); C7H9(5)+H(25)(+M)=>C7H10(526)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.762e+00 -9.800e-01 -3.278e-01 -2.997e-02 / CHEB/ 1.664e+01 8.161e-01 1.988e-01 -2.434e-02 / CHEB/ -2.085e-01 1.747e-01 9.029e-02 1.592e-02 / CHEB/ -2.743e-01 -4.062e-02 9.268e-03 1.323e-02 / CHEB/ -1.329e-01 -4.549e-02 -1.372e-02 4.316e-03 / CHEB/ -6.624e-02 -2.070e-02 -1.154e-02 -1.662e-03 /

4641.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.4	+3.3	+4.8	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-3.7	+2.6	+4.4	+4.8

Chebyshev(coeffs=[[4.40967,-2.06348,-0.279528,-0.0415914],[6.51148,1.41817,0.0518467,-0.000251856],[0.476396,0.434588,0.050951,0.0115572],[-0.297691,0.0318442,0.0178112,-0.0223684],[-0.196621,-0.0322999,0.0305365,-0.00245595],[-0.080387,-0.0359532,0.0111904,0.00930988]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.73
S298 (cal/mol*K) = -1.07
G298 (kcal/mol) = -1.41

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(960); H(25), C7H10(960); C7H9(5)+H(25)(+M)=>C7H10(960)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.410e+00 -2.063e+00 -2.795e-01 -4.159e-02 / CHEB/ 6.511e+00 1.418e+00 5.185e-02 -2.519e-04 / CHEB/ 4.764e-01 4.346e-01 5.095e-02 1.156e-02 / CHEB/ -2.977e-01 3.184e-02 1.781e-02 -2.237e-02 / CHEB/ -1.966e-01 -3.230e-02 3.054e-02 -2.456e-03 / CHEB/ -8.039e-02 -3.595e-02 1.119e-02 9.310e-03 /

4642.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.0	+3.5	+4.4	+4.3
log₁₀(k(10 bar)/[mole,m,s])	-2.5	+2.7	+4.0	+4.1

Chebyshev(coeffs=[[5.52999,-2.22641,-0.278524,-0.0321588],[4.92571,1.36648,0.0220844,-0.0164009],[0.331915,0.458296,0.0502013,0.021997],[-0.3531,0.053971,-0.00158561,-0.0190357],[-0.219664,-0.00921515,0.0244434,-0.0107462],[-0.0959445,-0.0219634,0.0195217,0.00572353]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.31
S298 (cal/mol*K) = -11.58
G298 (kcal/mol) = -65.86

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(961); H(25), C7H10(961); C7H9(5)+H(25)(+M)=>C7H10(961)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.530e+00 -2.226e+00 -2.785e-01 -3.216e-02 / CHEB/ 4.926e+00 1.366e+00 2.208e-02 -1.640e-02 / CHEB/ 3.319e-01 4.583e-01 5.020e-02 2.200e-02 / CHEB/ -3.531e-01 5.397e-02 -1.586e-03 -1.904e-02 / CHEB/ -2.197e-01 -9.215e-03 2.444e-02 -1.075e-02 / CHEB/ -9.594e-02 -2.196e-02 1.952e-02 5.724e-03 /

4643.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.7	-1.6	+1.1	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-2.0	+0.9	+1.9

Chebyshev(coeffs=[[-5.24204,-1.26834,-0.320296,-0.016916],[13.7833,0.996947,0.141389,-0.0341038],[-0.123331,0.243827,0.0956991,-0.000596334],[-0.282438,-0.0259177,0.0275008,0.011002],[-0.166795,-0.0501656,-0.0041224,0.00977495],[-0.0677196,-0.028919,-0.0111618,0.00209598]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.96
S298 (cal/mol*K) = 4.06
G298 (kcal/mol) = 6.75

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(962); H(25), C7H10(962); C7H9(5)+H(25)(+M)=>C7H10(962)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.242e+00 -1.268e+00 -3.203e-01 -1.692e-02 / CHEB/ 1.378e+01 9.969e-01 1.414e-01 -3.410e-02 / CHEB/ -1.233e-01 2.438e-01 9.570e-02 -5.963e-04 / CHEB/ -2.824e-01 -2.592e-02 2.750e-02 1.100e-02 / CHEB/ -1.668e-01 -5.017e-02 -4.122e-03 9.775e-03 / CHEB/ -6.772e-02 -2.892e-02 -1.116e-02 2.096e-03 /

4667.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	+2.6	+4.2	+4.5
log₁₀(k(10 bar)/[mole,m,s])	-4.5	+1.2	+3.3	+4.1

Chebyshev(coeffs=[[3.70591,-3.13521,-0.438558,0.0323504],[6.48253,1.77923,-0.0938425,-0.0914659],[0.232426,0.364468,0.109985,-0.0154901],[-0.0258207,0.206468,0.0422934,0.00115679],[-0.094413,0.116622,0.0342489,-0.00578105],[-0.0964391,0.0136072,0.0271501,0.00015757]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.45
S298 (cal/mol*K) = 11.04
G298 (kcal/mol) = -0.84

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(963); H(25), C7H11(963); C7H10(1)+H(25)(+M)=>C7H11(963)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.706e+00 -3.135e+00 -4.386e-01 3.235e-02 / CHEB/ 6.483e+00 1.779e+00 -9.384e-02 -9.147e-02 / CHEB/ 2.324e-01 3.645e-01 1.100e-01 -1.549e-02 / CHEB/ -2.582e-02 2.065e-01 4.229e-02 1.157e-03 / CHEB/ -9.441e-02 1.166e-01 3.425e-02 -5.781e-03 / CHEB/ -9.644e-02 1.361e-02 2.715e-02 1.576e-04 /

4668.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	+0.9	+3.6	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-0.2	+3.0	+4.4

Chebyshev(coeffs=[[-1.65366,-2.04688,-0.54615,-0.0274457],[12.1316,1.02292,0.143363,-0.0417354],[0.122477,0.361116,0.0711432,-0.011146],[-0.0344304,0.236035,0.0601986,-0.00711183],[-0.0791622,0.0848341,0.0485168,0.00350754],[-0.0750586,-0.00986062,0.0200888,0.00834626]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.64
S298 (cal/mol*K) = 39.77
G298 (kcal/mol) = 16.79

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(964); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(964)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.654e+00 -2.047e+00 -5.461e-01 -2.745e-02 / CHEB/ 1.213e+01 1.023e+00 1.434e-01 -4.174e-02 / CHEB/ 1.225e-01 3.611e-01 7.114e-02 -1.115e-02 / CHEB/ -3.443e-02 2.360e-01 6.020e-02 -7.112e-03 / CHEB/ -7.916e-02 8.483e-02 4.852e-02 3.508e-03 / CHEB/ -7.506e-02 -9.861e-03 2.009e-02 8.346e-03 /

4669.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.3	+0.6	+3.4	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-0.5	+2.8	+4.2

Chebyshev(coeffs=[[-1.96059,-2.03294,-0.546334,-0.028368],[12.2212,1.00526,0.142761,-0.0406862],[0.0991699,0.360629,0.0705587,-0.0115194],[-0.0392954,0.236698,0.060266,-0.00717585],[-0.0805793,0.0848846,0.048376,0.00358134],[-0.0754344,-0.00974732,0.0199756,0.00831219]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.71
S298 (cal/mol*K) = 52.46
G298 (kcal/mol) = 15.08

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(965); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(965)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.961e+00 -2.033e+00 -5.463e-01 -2.837e-02 / CHEB/ 1.222e+01 1.005e+00 1.428e-01 -4.069e-02 / CHEB/ 9.917e-02 3.606e-01 7.056e-02 -1.152e-02 / CHEB/ -3.930e-02 2.367e-01 6.027e-02 -7.176e-03 / CHEB/ -8.058e-02 8.488e-02 4.838e-02 3.581e-03 / CHEB/ -7.543e-02 -9.747e-03 1.998e-02 8.312e-03 /

4670.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	+2.0	+4.3	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-7.3	+0.8	+3.6	+4.8

Chebyshev(coeffs=[[0.529273,-2.31311,-0.553744,-0.0110947],[10.3867,1.17687,0.12223,-0.0583637],[0.1473,0.371432,0.0690345,-0.00806541],[-0.039187,0.236567,0.0522679,-0.00796952],[-0.0894045,0.0949154,0.0477804,-0.000536448],[-0.0830095,-0.0032781,0.0232713,0.00654116]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.44
S298 (cal/mol*K) = 52.05
G298 (kcal/mol) = 3.93

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H6(966); H(25), C2H5(421); C7H10(1)+H(25)(+M)=>C2H5(421)+C5H6(966)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.293e-01 -2.313e+00 -5.537e-01 -1.109e-02 / CHEB/ 1.039e+01 1.177e+00 1.222e-01 -5.836e-02 / CHEB/ 1.473e-01 3.714e-01 6.903e-02 -8.065e-03 / CHEB/ -3.919e-02 2.366e-01 5.227e-02 -7.970e-03 / CHEB/ -8.940e-02 9.492e-02 4.778e-02 -5.364e-04 / CHEB/ -8.301e-02 -3.278e-03 2.327e-02 6.541e-03 /

4671.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.8	-5.4	-0.8	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-21.6	-6.0	-1.1	+1.1

Chebyshev(coeffs=[[-14.2311,-1.03554,-0.437219,-0.0744915],[21.845,0.472817,0.160508,-0.000662452],[-0.324497,0.242396,0.0865117,-0.00121528],[-0.125869,0.168596,0.067251,0.00805063],[-0.0763591,0.0383991,0.0303453,0.01405],[-0.0533406,-0.022393,0.0024117,0.00847232]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.43
S298 (cal/mol*K) = 53.99
G298 (kcal/mol) = 54.35

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(967); H(25), CH3(425); C7H10(1)+H(25)(+M)=>CH3(425)+C6H8(967)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.423e+01 -1.036e+00 -4.372e-01 -7.449e-02 / CHEB/ 2.184e+01 4.728e-01 1.605e-01 -6.625e-04 / CHEB/ -3.245e-01 2.424e-01 8.651e-02 -1.215e-03 / CHEB/ -1.259e-01 1.686e-01 6.725e-02 8.051e-03 / CHEB/ -7.636e-02 3.840e-02 3.035e-02 1.405e-02 / CHEB/ -5.334e-02 -2.239e-02 2.412e-03 8.472e-03 /

4672.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.5	-9.8	-3.5	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-30.9	-10.2	-3.6	-0.6

Chebyshev(coeffs=[[-23.3664,-0.582392,-0.307522,-0.0942987],[29.3195,0.2595,0.126728,0.0287378],[-0.357246,0.15074,0.0715471,0.0140161],[-0.136607,0.110618,0.0542551,0.0132987],[-0.0684285,0.0180231,0.0153078,0.00989392],[-0.0402402,-0.0204699,-0.00498406,0.0035783]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 95.01
S298 (cal/mol*K) = 60.67
G298 (kcal/mol) = 76.93

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H6(968); H(25), C2H5(421); C7H10(1)+H(25)(+M)=>C2H5(421)+C5H6(968)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.337e+01 -5.824e-01 -3.075e-01 -9.430e-02 / CHEB/ 2.932e+01 2.595e-01 1.267e-01 2.874e-02 / CHEB/ -3.572e-01 1.507e-01 7.155e-02 1.402e-02 / CHEB/ -1.366e-01 1.106e-01 5.426e-02 1.330e-02 / CHEB/ -6.843e-02 1.802e-02 1.531e-02 9.894e-03 / CHEB/ -4.024e-02 -2.047e-02 -4.984e-03 3.578e-03 /

4673.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-28.2	-10.1	-4.4	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-28.8	-10.5	-4.6	-2.0

Chebyshev(coeffs=[[-21.2163,-0.819155,-0.385193,-0.0870016],[25.6382,0.377258,0.153924,0.014758],[-0.187535,0.200758,0.0826506,0.00667453],[-0.0954491,0.14128,0.0623514,0.0111441],[-0.068693,0.0273851,0.0229247,0.0129367],[-0.0449837,-0.022612,-0.0017635,0.00654841]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 80.28
S298 (cal/mol*K) = 41.40
G298 (kcal/mol) = 67.95

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(113); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(113)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.122e+01 -8.192e-01 -3.852e-01 -8.700e-02 / CHEB/ 2.564e+01 3.773e-01 1.539e-01 1.476e-02 / CHEB/ -1.875e-01 2.008e-01 8.265e-02 6.675e-03 / CHEB/ -9.545e-02 1.413e-01 6.235e-02 1.114e-02 / CHEB/ -6.869e-02 2.739e-02 2.292e-02 1.294e-02 / CHEB/ -4.498e-02 -2.261e-02 -1.763e-03 6.548e-03 /

4674.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.8	-7.0	-1.6	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-25.4	-7.5	-1.8	+0.7

Chebyshev(coeffs=[[-17.9766,-0.813102,-0.383834,-0.0875697],[25.2575,0.370003,0.151923,0.0151015],[-0.32058,0.199846,0.0822743,0.00662954],[-0.124444,0.141193,0.0623065,0.0110823],[-0.0700118,0.027532,0.0228695,0.0128684],[-0.046068,-0.0223441,-0.00170379,0.00653254]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.64
S298 (cal/mol*K) = 56.48
G298 (kcal/mol) = 64.81

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H8(969); H(25), C2H3(100); C7H10(1)+H(25)(+M)=>C2H3(100)+C5H8(969)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.798e+01 -8.131e-01 -3.838e-01 -8.757e-02 / CHEB/ 2.526e+01 3.700e-01 1.519e-01 1.510e-02 / CHEB/ -3.206e-01 1.998e-01 8.227e-02 6.630e-03 / CHEB/ -1.244e-01 1.412e-01 6.231e-02 1.108e-02 / CHEB/ -7.001e-02 2.753e-02 2.287e-02 1.287e-02 / CHEB/ -4.607e-02 -2.234e-02 -1.704e-03 6.533e-03 /

4675.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.3	-14.5	-7.3	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-37.6	-14.8	-7.4	-4.0

Chebyshev(coeffs=[[-29.839,-0.476614,-0.264839,-0.0923877],[32.2586,0.207749,0.109309,0.0318907],[-0.230875,0.126649,0.0641401,0.0162973],[-0.100583,0.0955986,0.0493204,0.0139453],[-0.0538379,0.014323,0.012074,0.00805729],[-0.0325938,-0.0188664,-0.00598792,0.00199286]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 103.68
S298 (cal/mol*K) = 47.02
G298 (kcal/mol) = 89.67

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(751); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(751)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.984e+01 -4.766e-01 -2.648e-01 -9.239e-02 / CHEB/ 3.226e+01 2.077e-01 1.093e-01 3.189e-02 / CHEB/ -2.309e-01 1.266e-01 6.414e-02 1.630e-02 / CHEB/ -1.006e-01 9.560e-02 4.932e-02 1.395e-02 / CHEB/ -5.384e-02 1.432e-02 1.207e-02 8.057e-03 / CHEB/ -3.259e-02 -1.887e-02 -5.988e-03 1.993e-03 /

4676.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.9	-14.0	-6.7	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-37.3	-14.2	-6.8	-3.4

Chebyshev(coeffs=[[-29.416,-0.473274,-0.263331,-0.0921635],[32.4366,0.207736,0.109477,0.0321073],[-0.184173,0.12559,0.0638188,0.0164178],[-0.108199,0.0948624,0.0490605,0.0139764],[-0.0751301,0.0141596,0.0119452,0.00798532],[-0.038785,-0.0188471,-0.00605722,0.00190899]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 103.68
S298 (cal/mol*K) = 47.02
G298 (kcal/mol) = 89.67

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(970); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(970)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.942e+01 -4.733e-01 -2.633e-01 -9.216e-02 / CHEB/ 3.244e+01 2.077e-01 1.095e-01 3.211e-02 / CHEB/ -1.842e-01 1.256e-01 6.382e-02 1.642e-02 / CHEB/ -1.082e-01 9.486e-02 4.906e-02 1.398e-02 / CHEB/ -7.513e-02 1.416e-02 1.195e-02 7.985e-03 / CHEB/ -3.879e-02 -1.885e-02 -6.057e-03 1.909e-03 /

4677.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-37.2	-14.0	-6.6	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-37.6	-14.2	-6.7	-3.2

Chebyshev(coeffs=[[-29.7595,-0.451298,-0.253861,-0.0912508],[32.9814,0.195303,0.104582,0.0321856],[-0.210035,0.120737,0.0621067,0.0166739],[-0.0947531,0.0918694,0.0479955,0.0140507],[-0.0512564,0.0135009,0.0113306,0.00758805],[-0.03107,-0.0183998,-0.00616758,0.00160538]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 105.88
S298 (cal/mol*K) = 46.60
G298 (kcal/mol) = 92.00

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(753); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(753)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.976e+01 -4.513e-01 -2.539e-01 -9.125e-02 / CHEB/ 3.298e+01 1.953e-01 1.046e-01 3.219e-02 / CHEB/ -2.100e-01 1.207e-01 6.211e-02 1.667e-02 / CHEB/ -9.475e-02 9.187e-02 4.800e-02 1.405e-02 / CHEB/ -5.126e-02 1.350e-02 1.133e-02 7.588e-03 / CHEB/ -3.107e-02 -1.840e-02 -6.168e-03 1.605e-03 /

4678.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.5	-0.8	+1.6	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-10.0	-1.9	+0.9	+2.2

Chebyshev(coeffs=[[-2.19369,-2.3081,-0.552789,-0.0112639],[10.4205,1.18236,0.12335,-0.0584368],[0.159273,0.370985,0.0698348,-0.00792062],[-0.0343484,0.235786,0.0526997,-0.00785322],[-0.0856671,0.0940605,0.0479366,-0.000360544],[-0.0817216,-0.0037904,0.0231922,0.00667603]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -12.23
S298 (cal/mol*K) = 10.51
G298 (kcal/mol) = -15.36

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(971); H(25), C7H11(971); C7H10(1)+H(25)(+M)=>C7H11(971)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.194e+00 -2.308e+00 -5.528e-01 -1.126e-02 / CHEB/ 1.042e+01 1.182e+00 1.234e-01 -5.844e-02 / CHEB/ 1.593e-01 3.710e-01 6.983e-02 -7.921e-03 / CHEB/ -3.435e-02 2.358e-01 5.270e-02 -7.853e-03 / CHEB/ -8.567e-02 9.406e-02 4.794e-02 -3.605e-04 / CHEB/ -8.172e-02 -3.790e-03 2.319e-02 6.676e-03 /

4679.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.3	-13.2	-6.4	-3.2
log₁₀(k(10 bar)/[mole,m,s])	-35.7	-13.5	-6.5	-3.3

Chebyshev(coeffs=[[-28.0817,-0.485912,-0.268795,-0.0927335],[31.4166,0.212303,0.110986,0.0317329],[-0.367386,0.128819,0.0648656,0.0161403],[-0.140613,0.0969511,0.049791,0.013901],[-0.0673488,0.0146321,0.0123508,0.00822748],[-0.0375744,-0.0190292,-0.00591537,0.00213514]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 101.98
S298 (cal/mol*K) = 53.19
G298 (kcal/mol) = 86.13

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(972); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(972)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.808e+01 -4.859e-01 -2.688e-01 -9.273e-02 / CHEB/ 3.142e+01 2.123e-01 1.110e-01 3.173e-02 / CHEB/ -3.674e-01 1.288e-01 6.487e-02 1.614e-02 / CHEB/ -1.406e-01 9.695e-02 4.979e-02 1.390e-02 / CHEB/ -6.735e-02 1.463e-02 1.235e-02 8.227e-03 / CHEB/ -3.757e-02 -1.903e-02 -5.915e-03 2.135e-03 /

4680.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-1.4	+1.4	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-2.5	+0.8	+2.2

Chebyshev(coeffs=[[-4.3388,-1.96901,-0.542978,-0.0316126],[12.6793,0.963494,0.144614,-0.0375464],[0.0744935,0.356969,0.0712865,-0.0121955],[-0.0422833,0.235945,0.0618307,-0.00672986],[-0.0792279,0.082446,0.0481271,0.00451591],[-0.0739317,-0.0110105,0.0191169,0.00859765]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -33.55
S298 (cal/mol*K) = 9.48
G298 (kcal/mol) = -36.37

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(973); H(25), C7H11(973); C7H10(1)+H(25)(+M)=>C7H11(973)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.339e+00 -1.969e+00 -5.430e-01 -3.161e-02 / CHEB/ 1.268e+01 9.635e-01 1.446e-01 -3.755e-02 / CHEB/ 7.449e-02 3.570e-01 7.129e-02 -1.220e-02 / CHEB/ -4.228e-02 2.359e-01 6.183e-02 -6.730e-03 / CHEB/ -7.923e-02 8.245e-02 4.813e-02 4.516e-03 / CHEB/ -7.393e-02 -1.101e-02 1.912e-02 8.598e-03 /

4681.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-36.8	-13.3	-5.9	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-37.1	-13.5	-6.0	-2.5

Chebyshev(coeffs=[[-29.3165,-0.426994,-0.243035,-0.0898727],[33.3194,0.183349,0.0998426,0.0322716],[-0.274863,0.114999,0.0600504,0.0169613],[-0.114165,0.0882318,0.0466645,0.0141286],[-0.0570462,0.0127347,0.0106298,0.0071303],[-0.0325154,-0.0179184,-0.00631468,0.00123409]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.07
S298 (cal/mol*K) = 53.69
G298 (kcal/mol) = 83.07

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H6(974); H(25), C3H5(98); C7H10(1)+H(25)(+M)=>C3H5(98)+C4H6(974)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.932e+01 -4.270e-01 -2.430e-01 -8.987e-02 / CHEB/ 3.332e+01 1.833e-01 9.984e-02 3.227e-02 / CHEB/ -2.749e-01 1.150e-01 6.005e-02 1.696e-02 / CHEB/ -1.142e-01 8.823e-02 4.666e-02 1.413e-02 / CHEB/ -5.705e-02 1.273e-02 1.063e-02 7.130e-03 / CHEB/ -3.252e-02 -1.792e-02 -6.315e-03 1.234e-03 /

4694.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	-4.4	-2.1	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-4.8	-2.3	-1.0

Chebyshev(coeffs=[[-2.49984,-1.15462,-0.076287,0.00523693],[6.31521,0.828245,-0.164192,-0.0655941],[1.13086,0.251975,0.0941112,-0.00325641],[0.104774,-0.0149346,0.05964,0.00874545],[-0.0103484,-0.0449287,0.0157203,0.0127696],[-0.0128373,-0.0174606,-0.00608282,0.00743917]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.65
S298 (cal/mol*K) = -34.90
G298 (kcal/mol) = 6.75

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(799); C5H6(62), C7H10(799); C2H4(115)+C5H6(62)(+M)=>C7H10(799)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.500e+00 -1.155e+00 -7.629e-02 5.237e-03 / CHEB/ 6.315e+00 8.282e-01 -1.642e-01 -6.559e-02 / CHEB/ 1.131e+00 2.520e-01 9.411e-02 -3.256e-03 / CHEB/ 1.048e-01 -1.493e-02 5.964e-02 8.745e-03 / CHEB/ -1.035e-02 -4.493e-02 1.572e-02 1.277e-02 / CHEB/ -1.284e-02 -1.746e-02 -6.083e-03 7.439e-03 /

4695.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-3.3	-0.4	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-3.7	-0.6	+1.0

Chebyshev(coeffs=[[-1.80534,-1.15153,-0.0784448,0.00463111],[7.10969,0.840957,-0.165074,-0.0686531],[1.54581,0.25414,0.10011,-0.00397039],[0.199935,-0.0271943,0.0608613,0.0107046],[-0.0358528,-0.0575531,0.0112185,0.0146969],[-0.0376846,-0.0207299,-0.0107443,0.00737523]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.31
S298 (cal/mol*K) = -30.50
G298 (kcal/mol) = 4.78

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(800); C5H6(62), C7H10(800); C2H4(115)+C5H6(62)(+M)=>C7H10(800)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.805e+00 -1.152e+00 -7.844e-02 4.631e-03 / CHEB/ 7.110e+00 8.410e-01 -1.651e-01 -6.865e-02 / CHEB/ 1.546e+00 2.541e-01 1.001e-01 -3.970e-03 / CHEB/ 1.999e-01 -2.719e-02 6.086e-02 1.070e-02 / CHEB/ -3.585e-02 -5.755e-02 1.122e-02 1.470e-02 / CHEB/ -3.768e-02 -2.073e-02 -1.074e-02 7.375e-03 /

4696.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	-1.0	+1.8	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-8.5	-1.4	+1.7	+3.4

Chebyshev(coeffs=[[0.0826365,-1.66204,-0.249482,0.0276211],[7.81914,1.39639,0.0407467,-0.0838869],[1.215,0.356603,0.126295,-0.00912113],[0.200148,-0.0894096,0.0361142,0.0174628],[0.0686083,-0.104975,-0.00842902,0.0155825],[0.0172188,-0.0314413,-0.0124153,0.00476841]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.82
S298 (cal/mol*K) = -11.85
G298 (kcal/mol) = 10.35

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(671); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(671)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.264e-02 -1.662e+00 -2.495e-01 2.762e-02 / CHEB/ 7.819e+00 1.396e+00 4.075e-02 -8.389e-02 / CHEB/ 1.215e+00 3.566e-01 1.263e-01 -9.121e-03 / CHEB/ 2.001e-01 -8.941e-02 3.611e-02 1.746e-02 / CHEB/ 6.861e-02 -1.050e-01 -8.429e-03 1.558e-02 / CHEB/ 1.722e-02 -3.144e-02 -1.242e-02 4.768e-03 /

4697.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-1.6	+1.2	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-9.1	-2.0	+1.1	+2.9

Chebyshev(coeffs=[[-0.640587,-1.68939,-0.263105,0.0257075],[8.09115,1.42372,0.0436671,-0.0820031],[1.12176,0.350315,0.142152,-0.00704482],[0.211274,-0.0825618,0.0379346,0.0174473],[0.0723012,-0.0948674,-0.0137814,0.0125726],[0.017404,-0.032747,-0.0140186,0.00393279]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.02
S298 (cal/mol*K) = -11.74
G298 (kcal/mol) = 13.51

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(674); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(674)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.406e-01 -1.689e+00 -2.631e-01 2.571e-02 / CHEB/ 8.091e+00 1.424e+00 4.367e-02 -8.200e-02 / CHEB/ 1.122e+00 3.503e-01 1.422e-01 -7.045e-03 / CHEB/ 2.113e-01 -8.256e-02 3.793e-02 1.745e-02 / CHEB/ 7.230e-02 -9.487e-02 -1.378e-02 1.257e-02 / CHEB/ 1.740e-02 -3.275e-02 -1.402e-02 3.933e-03 /

4698.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	-0.2	+1.5	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-4.5	-0.9	+1.3	+2.9

Chebyshev(coeffs=[[3.59677,-1.9322,-0.202904,0.0401426],[3.824,1.31473,-0.0732488,-0.0785563],[0.887556,0.593167,0.1513,-0.0220293],[0.287349,0.118018,0.0849192,0.00936151],[0.160565,-0.0542912,0.00394008,0.00544561],[0.0875658,-0.10393,-0.0263082,0.00245793]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.26
S298 (cal/mol*K) = -34.76
G298 (kcal/mol) = -16.90

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(594); C5H6(62), C7H10(594); C2H4(115)+C5H6(62)(+M)=>C7H10(594)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.597e+00 -1.932e+00 -2.029e-01 4.014e-02 / CHEB/ 3.824e+00 1.315e+00 -7.325e-02 -7.856e-02 / CHEB/ 8.876e-01 5.932e-01 1.513e-01 -2.203e-02 / CHEB/ 2.873e-01 1.180e-01 8.492e-02 9.362e-03 / CHEB/ 1.606e-01 -5.429e-02 3.940e-03 5.446e-03 / CHEB/ 8.757e-02 -1.039e-01 -2.631e-02 2.458e-03 /

4699.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-2.6	-1.0	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-3.3	-1.2	+0.4

Chebyshev(coeffs=[[0.71435,-1.85785,-0.243013,0.0353874],[4.34757,1.23829,-0.0358228,-0.0860487],[0.84646,0.56482,0.159846,-0.0031889],[0.164375,0.118204,0.0913607,0.0201521],[0.138095,-0.0399265,0.0127356,0.00653979],[0.158161,-0.0690097,-0.0256967,-0.00429764]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.95
S298 (cal/mol*K) = -39.20
G298 (kcal/mol) = -19.27

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(595); C5H6(62), C7H10(595); C2H4(115)+C5H6(62)(+M)=>C7H10(595)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.144e-01 -1.858e+00 -2.430e-01 3.539e-02 / CHEB/ 4.348e+00 1.238e+00 -3.582e-02 -8.605e-02 / CHEB/ 8.465e-01 5.648e-01 1.598e-01 -3.189e-03 / CHEB/ 1.644e-01 1.182e-01 9.136e-02 2.015e-02 / CHEB/ 1.381e-01 -3.993e-02 1.274e-02 6.540e-03 / CHEB/ 1.582e-01 -6.901e-02 -2.570e-02 -4.298e-03 /

4700.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	-2.0	-0.3	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-2.7	-0.4	+0.9

Chebyshev(coeffs=[[1.02027,-1.81806,-0.229519,0.0378126],[4.63204,1.27736,-0.0283581,-0.0878522],[0.965743,0.535546,0.138007,-0.0133819],[0.163721,0.0561169,0.0620692,0.0109359],[0.065126,-0.0876865,-0.000617915,0.00635425],[0.0604239,-0.0827431,-0.0180047,0.00413369]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.95
S298 (cal/mol*K) = -39.20
G298 (kcal/mol) = -19.27

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(599); C5H6(62), C7H10(599); C2H4(115)+C5H6(62)(+M)=>C7H10(599)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.020e+00 -1.818e+00 -2.295e-01 3.781e-02 / CHEB/ 4.632e+00 1.277e+00 -2.836e-02 -8.785e-02 / CHEB/ 9.657e-01 5.355e-01 1.380e-01 -1.338e-02 / CHEB/ 1.637e-01 5.612e-02 6.207e-02 1.094e-02 / CHEB/ 6.513e-02 -8.769e-02 -6.179e-04 6.354e-03 / CHEB/ 6.042e-02 -8.274e-02 -1.800e-02 4.134e-03 /

4701.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.6	-6.2	-0.5	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-22.0	-6.3	-0.5	+2.5

Chebyshev(coeffs=[[-13.8413,-0.510781,-0.248233,-0.0622928],[21.2985,0.414981,0.169564,0.0146463],[0.866394,0.0913908,0.0596826,0.0256731],[0.156095,-0.0338043,-0.00396689,0.010226],[-0.00312979,-0.00489312,-0.00386401,-0.00051714],[-0.0254485,0.00384247,-6.03399e-05,-0.00160834]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.89
S298 (cal/mol*K) = 9.51
G298 (kcal/mol) = 58.06

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C4H6(598); C2H4(115), C3H4(73); C2H4(115)+C5H6(62)(+M)=>C3H4(73)+C4H6(598)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.384e+01 -5.108e-01 -2.482e-01 -6.229e-02 / CHEB/ 2.130e+01 4.150e-01 1.696e-01 1.465e-02 / CHEB/ 8.664e-01 9.139e-02 5.968e-02 2.567e-02 / CHEB/ 1.561e-01 -3.380e-02 -3.967e-03 1.023e-02 / CHEB/ -3.130e-03 -4.893e-03 -3.864e-03 -5.171e-04 / CHEB/ -2.545e-02 3.842e-03 -6.034e-05 -1.608e-03 /

4702.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-3.6	-1.0	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-4.0	-1.1	+0.4

Chebyshev(coeffs=[[-2.49738,-1.1017,-0.0993871,-0.00356084],[7.58538,0.826327,-0.129764,-0.055668],[1.21955,0.232527,0.105363,-0.00269959],[0.132129,-0.0317964,0.0556411,0.0115424],[-0.00278197,-0.0458755,0.00864211,0.0151846],[-0.0166904,-0.0117341,-0.00875908,0.00613889]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.73
S298 (cal/mol*K) = -36.86
G298 (kcal/mol) = -0.75

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(630); C5H6(62), C7H10(630); C2H4(115)+C5H6(62)(+M)=>C7H10(630)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.497e+00 -1.102e+00 -9.939e-02 -3.561e-03 / CHEB/ 7.585e+00 8.263e-01 -1.298e-01 -5.567e-02 / CHEB/ 1.220e+00 2.325e-01 1.054e-01 -2.700e-03 / CHEB/ 1.321e-01 -3.180e-02 5.564e-02 1.154e-02 / CHEB/ -2.782e-03 -4.588e-02 8.642e-03 1.518e-02 / CHEB/ -1.669e-02 -1.173e-02 -8.759e-03 6.139e-03 /

4703.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	-1.3	+0.5	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-1.8	+0.4	+1.4

Chebyshev(coeffs=[[1.43322,-1.21569,-0.0533737,0.0166971],[4.93849,0.823777,-0.193943,-0.075601],[0.983166,0.274495,0.07589,-0.00707663],[0.0921364,0.00646347,0.0614537,0.00808036],[-0.0177267,-0.0388374,0.0232968,0.00956223],[-0.00957915,-0.0230821,-0.00159788,0.00702471]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -43.92
S298 (cal/mol*K) = -46.89
G298 (kcal/mol) = -29.95

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(801); C5H6(62), C7H10(801); C2H4(115)+C5H6(62)(+M)=>C7H10(801)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.433e+00 -1.216e+00 -5.337e-02 1.670e-02 / CHEB/ 4.938e+00 8.238e-01 -1.939e-01 -7.560e-02 / CHEB/ 9.832e-01 2.745e-01 7.589e-02 -7.077e-03 / CHEB/ 9.214e-02 6.463e-03 6.145e-02 8.080e-03 / CHEB/ -1.773e-02 -3.884e-02 2.330e-02 9.562e-03 / CHEB/ -9.579e-03 -2.308e-02 -1.598e-03 7.025e-03 /

4704.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.4	+1.6	+2.3	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-2.8	+0.8	+2.0	+2.5

Chebyshev(coeffs=[[5.02573,-1.71774,-0.142951,0.0707729],[3.24573,0.951899,-0.168682,-0.112725],[0.380853,0.470412,0.0991066,-0.0242721],[-0.114066,0.118242,0.0783114,0.0117546],[-0.0730332,-0.00334298,0.0265682,0.00861324],[0.0139662,-0.0276757,-0.00674143,-0.000556032]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -73.18
S298 (cal/mol*K) = -39.90
G298 (kcal/mol) = -61.29

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(590); C5H6(62), C7H10(590); C2H4(115)+C5H6(62)(+M)=>C7H10(590)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.026e+00 -1.718e+00 -1.430e-01 7.077e-02 / CHEB/ 3.246e+00 9.519e-01 -1.687e-01 -1.127e-01 / CHEB/ 3.809e-01 4.704e-01 9.911e-02 -2.427e-02 / CHEB/ -1.141e-01 1.182e-01 7.831e-02 1.175e-02 / CHEB/ -7.303e-02 -3.343e-03 2.657e-02 8.613e-03 / CHEB/ 1.397e-02 -2.768e-02 -6.741e-03 -5.560e-04 /

4705.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.5	+1.5	+2.3	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-1.4	+1.9	+2.9	+3.0

Chebyshev(coeffs=[[5.28216,0.556943,-0.0706798,0.0256464],[2.64992,0.763664,-0.208031,-0.0683256],[0.477848,0.281165,0.0190108,-0.0252808],[-0.10786,0.0556256,0.0438904,0.00453333],[-0.179114,-0.00244945,0.0294844,0.00688785],[-0.0946904,-0.0160851,0.00950273,0.00312021]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -99.64
S298 (cal/mol*K) = -52.04
G298 (kcal/mol) = -84.14

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(499); C5H6(62), C7H10(499); C2H4(115)+C5H6(62)(+M)=>C7H10(499)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.282e+00 5.569e-01 -7.068e-02 2.565e-02 / CHEB/ 2.650e+00 7.637e-01 -2.080e-01 -6.833e-02 / CHEB/ 4.778e-01 2.812e-01 1.901e-02 -2.528e-02 / CHEB/ -1.079e-01 5.563e-02 4.389e-02 4.533e-03 / CHEB/ -1.791e-01 -2.449e-03 2.948e-02 6.888e-03 / CHEB/ -9.469e-02 -1.609e-02 9.503e-03 3.120e-03 /

4706.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.3	-11.1	-4.6	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-30.6	-11.2	-4.6	-1.3

Chebyshev(coeffs=[[-22.5944,-0.350565,-0.198879,-0.0732313],[26.9013,0.26733,0.139016,0.0391334],[0.369928,0.0746278,0.0464703,0.0207384],[0.0364565,-0.0224146,-0.00636615,0.00358482],[-0.0247641,-0.000993682,-0.00122821,-0.000746397],[-0.0242627,0.00254517,0.000616813,-0.00050978]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.17
S298 (cal/mol*K) = 6.17
G298 (kcal/mol) = 72.33

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H6(62); C2H4(115), C2H4(603); C2H4(115)+C5H6(62)(+M)=>C5H6(62)+C2H4(603)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.259e+01 -3.506e-01 -1.989e-01 -7.323e-02 / CHEB/ 2.690e+01 2.673e-01 1.390e-01 3.913e-02 / CHEB/ 3.699e-01 7.463e-02 4.647e-02 2.074e-02 / CHEB/ 3.646e-02 -2.241e-02 -6.366e-03 3.585e-03 / CHEB/ -2.476e-02 -9.937e-04 -1.228e-03 -7.464e-04 / CHEB/ -2.426e-02 2.545e-03 6.168e-04 -5.098e-04 /

4707.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.2	-11.5	-4.6	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-31.4	-11.6	-4.6	-1.1

Chebyshev(coeffs=[[-23.2522,-0.346201,-0.196605,-0.07258],[27.5183,0.26932,0.140529,0.0400374],[0.55128,0.0725692,0.045699,0.0208356],[0.0818154,-0.0232541,-0.00697898,0.00326046],[-0.0116829,-0.00115415,-0.00144671,-0.000953198],[-0.0188477,0.00245351,0.000543364,-0.00056902]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 74.77
S298 (cal/mol*K) = 2.92
G298 (kcal/mol) = 73.90

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(593); C2H4(115), CH2(T)(82); C2H4(115)+C5H6(62)(+M)=>C6H8(593)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.325e+01 -3.462e-01 -1.966e-01 -7.258e-02 / CHEB/ 2.752e+01 2.693e-01 1.405e-01 4.004e-02 / CHEB/ 5.513e-01 7.257e-02 4.570e-02 2.084e-02 / CHEB/ 8.182e-02 -2.325e-02 -6.979e-03 3.260e-03 / CHEB/ -1.168e-02 -1.154e-03 -1.447e-03 -9.532e-04 / CHEB/ -1.885e-02 2.454e-03 5.434e-04 -5.690e-04 /

4708.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-2.4	+0.9	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-2.7	+0.8	+2.7

Chebyshev(coeffs=[[-2.1562,-1.60119,-0.271391,0.0224764],[9.3257,1.42321,0.0850769,-0.0809971],[1.24251,0.289778,0.121846,-0.00571598],[0.243392,-0.125888,0.0249478,0.0219812],[0.0681051,-0.101439,-0.0121211,0.0169424],[-0.00175737,-0.0141182,-0.0103371,0.00260495]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.85
S298 (cal/mol*K) = -13.60
G298 (kcal/mol) = 17.90

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(672); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(672)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.156e+00 -1.601e+00 -2.714e-01 2.248e-02 / CHEB/ 9.326e+00 1.423e+00 8.508e-02 -8.100e-02 / CHEB/ 1.243e+00 2.898e-01 1.218e-01 -5.716e-03 / CHEB/ 2.434e-01 -1.259e-01 2.495e-02 2.198e-02 / CHEB/ 6.811e-02 -1.014e-01 -1.212e-02 1.694e-02 / CHEB/ -1.757e-03 -1.412e-02 -1.034e-02 2.605e-03 /

4709.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	-1.7	-0.2	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-2.4	-0.5	+0.9

Chebyshev(coeffs=[[0.910896,-1.84413,-0.266289,0.0282682],[5.00637,1.24765,-0.0321461,-0.0863512],[0.749016,0.515458,0.164092,0.00317413],[0.0241102,0.0773785,0.0888294,0.0217144],[0.0793757,-0.0307039,0.0163643,0.00731983],[0.147157,-0.0230838,-0.011687,-0.00295662]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.06
S298 (cal/mol*K) = -31.09
G298 (kcal/mol) = -5.80

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(437); C5H6(62), C7H10(437); C2H4(115)+C5H6(62)(+M)=>C7H10(437)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.109e-01 -1.844e+00 -2.663e-01 2.827e-02 / CHEB/ 5.006e+00 1.248e+00 -3.215e-02 -8.635e-02 / CHEB/ 7.490e-01 5.155e-01 1.641e-01 3.174e-03 / CHEB/ 2.411e-02 7.738e-02 8.883e-02 2.171e-02 / CHEB/ 7.938e-02 -3.070e-02 1.636e-02 7.320e-03 / CHEB/ 1.472e-01 -2.308e-02 -1.169e-02 -2.957e-03 /

4710.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.6	-4.1	-0.7	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-13.4	-4.4	-0.8	+1.0

Chebyshev(coeffs=[[-5.25249,-0.952903,-0.187973,-0.0126578],[11.111,0.755635,-0.000673033,-0.049714],[1.04937,0.172798,0.104766,0.00391371],[0.162075,-0.0480582,0.0348261,0.0198563],[-0.00451337,-0.0314318,-0.00375556,0.0129953],[-0.0276427,-0.000683037,-0.00798895,0.00103129]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.06
S298 (cal/mol*K) = -31.09
G298 (kcal/mol) = -5.80

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(438); C5H6(62), C7H10(438); C2H4(115)+C5H6(62)(+M)=>C7H10(438)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.252e+00 -9.529e-01 -1.880e-01 -1.266e-02 / CHEB/ 1.111e+01 7.556e-01 -6.730e-04 -4.971e-02 / CHEB/ 1.049e+00 1.728e-01 1.048e-01 3.914e-03 / CHEB/ 1.621e-01 -4.806e-02 3.483e-02 1.986e-02 / CHEB/ -4.513e-03 -3.143e-02 -3.756e-03 1.300e-02 / CHEB/ -2.764e-02 -6.830e-04 -7.989e-03 1.031e-03 /

4711.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	-1.8	+0.0	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-8.4	-2.5	-0.2	+1.2

Chebyshev(coeffs=[[-0.150434,-1.80725,-0.283108,0.020727],[6.36772,1.29371,-0.00818255,-0.0853933],[0.829601,0.478044,0.1697,0.00646084],[-0.0332991,0.0329736,0.0791535,0.0218571],[0.0242715,-0.0502408,0.00695436,0.0085545],[0.103614,-0.0267284,-0.0142094,-0.00126043]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.06
S298 (cal/mol*K) = -31.09
G298 (kcal/mol) = -5.80

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(436); C5H6(62), C7H10(436); C2H4(115)+C5H6(62)(+M)=>C7H10(436)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.504e-01 -1.807e+00 -2.831e-01 2.073e-02 / CHEB/ 6.368e+00 1.294e+00 -8.183e-03 -8.539e-02 / CHEB/ 8.296e-01 4.780e-01 1.697e-01 6.461e-03 / CHEB/ -3.330e-02 3.297e-02 7.915e-02 2.186e-02 / CHEB/ 2.427e-02 -5.024e-02 6.954e-03 8.555e-03 / CHEB/ 1.036e-01 -2.673e-02 -1.421e-02 -1.260e-03 /

4712.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-3.8	-0.5	+1.3
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-4.0	-0.6	+1.2

Chebyshev(coeffs=[[-4.58004,-0.976917,-0.175631,-0.0122208],[10.5941,0.769783,-0.0199427,-0.0490243],[1.07072,0.180963,0.105983,0.00154947],[0.158736,-0.0472256,0.038307,0.0190599],[-0.00433382,-0.0337875,-0.00252301,0.0138488],[-0.0263936,-0.00178627,-0.00846801,0.00169177]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.06
S298 (cal/mol*K) = -31.09
G298 (kcal/mol) = -5.80

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(439); C5H6(62), C7H10(439); C2H4(115)+C5H6(62)(+M)=>C7H10(439)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.580e+00 -9.769e-01 -1.756e-01 -1.222e-02 / CHEB/ 1.059e+01 7.698e-01 -1.994e-02 -4.902e-02 / CHEB/ 1.071e+00 1.810e-01 1.060e-01 1.549e-03 / CHEB/ 1.587e-01 -4.723e-02 3.831e-02 1.906e-02 / CHEB/ -4.334e-03 -3.379e-02 -2.523e-03 1.385e-02 / CHEB/ -2.639e-02 -1.786e-03 -8.468e-03 1.692e-03 /

4713.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-2.3	+0.3	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-2.7	+0.2	+1.6

Chebyshev(coeffs=[[-1.16366,-1.10805,-0.0994278,-0.00330341],[7.52085,0.82013,-0.132314,-0.0558837],[1.17855,0.234968,0.102367,-0.00365061],[0.123844,-0.0285804,0.0557597,0.0107915],[-0.004451,-0.0448891,0.00985729,0.0148662],[-0.0158963,-0.0123639,-0.00813098,0.00636808]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.17
S298 (cal/mol*K) = -32.77
G298 (kcal/mol) = 10.93

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(802); C5H6(62), C7H10(802); C2H4(115)+C5H6(62)(+M)=>C7H10(802)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.164e+00 -1.108e+00 -9.943e-02 -3.303e-03 / CHEB/ 7.521e+00 8.201e-01 -1.323e-01 -5.588e-02 / CHEB/ 1.179e+00 2.350e-01 1.024e-01 -3.651e-03 / CHEB/ 1.238e-01 -2.858e-02 5.576e-02 1.079e-02 / CHEB/ -4.451e-03 -4.489e-02 9.857e-03 1.487e-02 / CHEB/ -1.590e-02 -1.236e-02 -8.131e-03 6.368e-03 /

4714.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.6	+0.5	+1.8	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-3.5	+0.0	+1.6	+2.3

Chebyshev(coeffs=[[4.19273,-1.28619,-0.0347983,0.0290561],[3.4164,0.793137,-0.215846,-0.0805705],[0.645946,0.296266,0.04976,-0.0157108],[0.0495929,0.0352658,0.0558884,0.00659389],[-0.0223623,-0.0231878,0.0292778,0.00720375],[-0.00878823,-0.0241271,0.00526605,0.00488752]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -60.13
S298 (cal/mol*K) = -56.35
G298 (kcal/mol) = -43.34

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(493); C5H6(62), C7H10(493); C2H4(115)+C5H6(62)(+M)=>C7H10(493)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.193e+00 -1.286e+00 -3.480e-02 2.906e-02 / CHEB/ 3.416e+00 7.931e-01 -2.158e-01 -8.057e-02 / CHEB/ 6.459e-01 2.963e-01 4.976e-02 -1.571e-02 / CHEB/ 4.959e-02 3.527e-02 5.589e-02 6.594e-03 / CHEB/ -2.236e-02 -2.319e-02 2.928e-02 7.204e-03 / CHEB/ -8.788e-03 -2.413e-02 5.266e-03 4.888e-03 /

4715.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	-0.1	+1.4	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-4.7	-0.6	+1.2	+2.1

Chebyshev(coeffs=[[3.18177,-1.25238,-0.0426897,0.0232833],[4.06169,0.811692,-0.206707,-0.0791304],[0.808103,0.287278,0.0626007,-0.0113005],[0.0730189,0.0211235,0.0597637,0.00764197],[-0.016055,-0.0318107,0.0270498,0.00816119],[-0.0109492,-0.0246815,0.00188501,0.00600335]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -65.98
S298 (cal/mol*K) = -35.11
G298 (kcal/mol) = -55.52

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(441); C5H6(62), C7H10(441); C2H4(115)+C5H6(62)(+M)=>C7H10(441)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.182e+00 -1.252e+00 -4.269e-02 2.328e-02 / CHEB/ 4.062e+00 8.117e-01 -2.067e-01 -7.913e-02 / CHEB/ 8.081e-01 2.873e-01 6.260e-02 -1.130e-02 / CHEB/ 7.302e-02 2.112e-02 5.976e-02 7.642e-03 / CHEB/ -1.605e-02 -3.181e-02 2.705e-02 8.161e-03 / CHEB/ -1.095e-02 -2.468e-02 1.885e-03 6.003e-03 /

4716.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	+1.1	+2.1	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-2.1	+1.4	+2.8	+3.2

Chebyshev(coeffs=[[4.82128,0.47296,-0.0562853,0.0606012],[2.99026,0.83575,-0.205198,-0.099279],[0.606315,0.363567,0.0310951,-0.0328832],[-0.0218749,0.0766377,0.0409599,0.00375383],[-0.130388,-0.00864521,0.0246006,0.00821455],[-0.074071,-0.0267954,0.00793114,0.00396161]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.58
S298 (cal/mol*K) = -44.31
G298 (kcal/mol) = -56.38

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(683); C5H6(62), C7H10(683); C2H4(115)+C5H6(62)(+M)=>C7H10(683)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.821e+00 4.730e-01 -5.629e-02 6.060e-02 / CHEB/ 2.990e+00 8.357e-01 -2.052e-01 -9.928e-02 / CHEB/ 6.063e-01 3.636e-01 3.110e-02 -3.288e-02 / CHEB/ -2.187e-02 7.664e-02 4.096e-02 3.754e-03 / CHEB/ -1.304e-01 -8.645e-03 2.460e-02 8.215e-03 / CHEB/ -7.407e-02 -2.680e-02 7.931e-03 3.962e-03 /

4717.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-2.4	+0.9	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-2.7	+0.8	+2.7

H298 (kcal/mol) = 13.85
S298 (cal/mol*K) = -13.60
G298 (kcal/mol) = 17.90

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(673); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(673)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.156e+00 -1.601e+00 -2.714e-01 2.248e-02 / CHEB/ 9.326e+00 1.423e+00 8.508e-02 -8.100e-02 / CHEB/ 1.243e+00 2.898e-01 1.218e-01 -5.716e-03 / CHEB/ 2.434e-01 -1.259e-01 2.495e-02 2.198e-02 / CHEB/ 6.811e-02 -1.014e-01 -1.212e-02 1.694e-02 / CHEB/ -1.757e-03 -1.412e-02 -1.034e-02 2.605e-03 /

4718.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.6	-4.4	-1.2	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-4.7	-1.3	+0.5

Chebyshev(coeffs=[[-5.19713,-0.97563,-0.176313,-0.0122407],[10.5335,0.769061,-0.0188867,-0.049066],[1.04998,0.180504,0.105928,0.00167346],[0.153187,-0.0472847,0.0381186,0.0191091],[-0.00624183,-0.0336606,-0.00259661,0.0138053],[-0.0271374,-0.00172143,-0.00844463,0.00165415]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.02
S298 (cal/mol*K) = -33.71
G298 (kcal/mol) = -4.97

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(803); C5H6(62), C7H10(803); C2H4(115)+C5H6(62)(+M)=>C7H10(803)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.197e+00 -9.756e-01 -1.763e-01 -1.224e-02 / CHEB/ 1.053e+01 7.691e-01 -1.889e-02 -4.907e-02 / CHEB/ 1.050e+00 1.805e-01 1.059e-01 1.673e-03 / CHEB/ 1.532e-01 -4.728e-02 3.812e-02 1.911e-02 / CHEB/ -6.242e-03 -3.366e-02 -2.597e-03 1.381e-02 / CHEB/ -2.714e-02 -1.721e-03 -8.445e-03 1.654e-03 /

4719.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-2.3	+0.3	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-2.7	+0.2	+1.6

H298 (kcal/mol) = 1.46
S298 (cal/mol*K) = -31.21
G298 (kcal/mol) = 10.76

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(509); C5H6(62), C7H10(509); C2H4(115)+C5H6(62)(+M)=>C7H10(509)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.164e+00 -1.108e+00 -9.943e-02 -3.303e-03 / CHEB/ 7.521e+00 8.201e-01 -1.323e-01 -5.588e-02 / CHEB/ 1.179e+00 2.350e-01 1.024e-01 -3.651e-03 / CHEB/ 1.238e-01 -2.858e-02 5.576e-02 1.079e-02 / CHEB/ -4.451e-03 -4.489e-02 9.857e-03 1.487e-02 / CHEB/ -1.590e-02 -1.236e-02 -8.131e-03 6.368e-03 /

4720.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.2	-0.3	+1.3	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-5.1	-0.8	+1.1	+2.0

Chebyshev(coeffs=[[2.85516,-1.24525,-0.044515,0.0220467],[4.21905,0.814761,-0.204398,-0.0785886],[0.863877,0.285244,0.0651856,-0.0104463],[0.0796319,0.0182571,0.0603009,0.00778687],[-0.0263222,-0.0335245,0.0265088,0.00844422],[-0.00754461,-0.0245655,0.00117347,0.00621289]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -65.98
S298 (cal/mol*K) = -35.11
G298 (kcal/mol) = -55.52

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(804); C5H6(62), C7H10(804); C2H4(115)+C5H6(62)(+M)=>C7H10(804)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.855e+00 -1.245e+00 -4.452e-02 2.205e-02 / CHEB/ 4.219e+00 8.148e-01 -2.044e-01 -7.859e-02 / CHEB/ 8.639e-01 2.852e-01 6.519e-02 -1.045e-02 / CHEB/ 7.963e-02 1.826e-02 6.030e-02 7.787e-03 / CHEB/ -2.632e-02 -3.352e-02 2.651e-02 8.444e-03 / CHEB/ -7.545e-03 -2.457e-02 1.173e-03 6.213e-03 /

4721.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+3.7	+4.5	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-0.1	+3.0	+4.2	+4.8

Chebyshev(coeffs=[[7.61198,-1.59073,-0.0817685,0.0711592],[2.8311,0.944943,-0.173447,-0.109551],[0.397136,0.418565,0.0580432,-0.0314135],[-0.0224844,0.0810695,0.0498841,0.00556756],[-0.0249431,-0.0241829,0.0216903,0.00882629],[0.0126517,-0.0416423,0.0018622,0.00469279]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.63
S298 (cal/mol*K) = -46.16
G298 (kcal/mol) = -54.88

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(682); C5H6(62), C7H10(682); C2H4(115)+C5H6(62)(+M)=>C7H10(682)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.612e+00 -1.591e+00 -8.177e-02 7.116e-02 / CHEB/ 2.831e+00 9.449e-01 -1.734e-01 -1.096e-01 / CHEB/ 3.971e-01 4.186e-01 5.804e-02 -3.141e-02 / CHEB/ -2.248e-02 8.107e-02 4.988e-02 5.568e-03 / CHEB/ -2.494e-02 -2.418e-02 2.169e-02 8.826e-03 / CHEB/ 1.265e-02 -4.164e-02 1.862e-03 4.693e-03 /

4722.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	-1.3	+1.1	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-7.6	-1.6	+1.0	+2.4

Chebyshev(coeffs=[[1.03593,-1.57057,-0.155058,0.0448405],[5.88843,1.32037,-0.0421848,-0.107227],[1.31317,0.273026,0.0603119,-0.0134315],[0.180242,-0.0939898,0.0478701,0.0248693],[0.00643562,-0.0706126,0.0232603,0.014556],[-0.0134332,-0.0108889,-0.00303247,0.00317717]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.02
S298 (cal/mol*K) = -33.71
G298 (kcal/mol) = -4.97

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(676); C5H6(62), C7H10(676); C2H4(115)+C5H6(62)(+M)=>C7H10(676)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.036e+00 -1.571e+00 -1.551e-01 4.484e-02 / CHEB/ 5.888e+00 1.320e+00 -4.218e-02 -1.072e-01 / CHEB/ 1.313e+00 2.730e-01 6.031e-02 -1.343e-02 / CHEB/ 1.802e-01 -9.399e-02 4.787e-02 2.487e-02 / CHEB/ 6.436e-03 -7.061e-02 2.326e-02 1.456e-02 / CHEB/ -1.343e-02 -1.089e-02 -3.032e-03 3.177e-03 /

4723.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	+0.8	+3.3	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-5.7	+0.4	+3.2	+4.6

Chebyshev(coeffs=[[2.74928,-1.24718,-0.0738966,0.0232365],[6.40134,0.979287,-0.156101,-0.0912251],[1.32851,0.22771,0.0923449,0.00627778],[0.166823,-0.0301044,0.0643098,0.0121319],[0.00529401,-0.0476679,0.0151222,0.011656],[-0.0090187,-0.0168418,-0.00807953,0.00724821]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.46
S298 (cal/mol*K) = -30.34
G298 (kcal/mol) = -10.42

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(444); C5H6(62), C7H10(444); C2H4(115)+C5H6(62)(+M)=>C7H10(444)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.749e+00 -1.247e+00 -7.390e-02 2.324e-02 / CHEB/ 6.401e+00 9.793e-01 -1.561e-01 -9.123e-02 / CHEB/ 1.329e+00 2.277e-01 9.234e-02 6.278e-03 / CHEB/ 1.668e-01 -3.010e-02 6.431e-02 1.213e-02 / CHEB/ 5.294e-03 -4.767e-02 1.512e-02 1.166e-02 / CHEB/ -9.019e-03 -1.684e-02 -8.080e-03 7.248e-03 /

4724.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.8	-4.4	-2.1	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-4.8	-2.2	-1.0

Chebyshev(coeffs=[[-2.49087,-1.15483,-0.0761936,0.00527735],[6.31031,0.828265,-0.164317,-0.0656367],[1.13055,0.252051,0.0940619,-0.00326026],[0.104732,-0.0148678,0.0596541,0.00874053],[-0.0103769,-0.0449204,0.0157471,0.0127581],[-0.0128246,-0.0174835,-0.00607086,0.00744153]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.65
S298 (cal/mol*K) = -34.60
G298 (kcal/mol) = 6.66

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(805); C5H6(62), C7H10(805); C2H4(115)+C5H6(62)(+M)=>C7H10(805)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.491e+00 -1.155e+00 -7.619e-02 5.277e-03 / CHEB/ 6.310e+00 8.283e-01 -1.643e-01 -6.564e-02 / CHEB/ 1.131e+00 2.521e-01 9.406e-02 -3.260e-03 / CHEB/ 1.047e-01 -1.487e-02 5.965e-02 8.741e-03 / CHEB/ -1.038e-02 -4.492e-02 1.575e-02 1.276e-02 / CHEB/ -1.282e-02 -1.748e-02 -6.071e-03 7.442e-03 /

4762.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.1	-3.1	+0.0	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-11.9	-3.4	-0.1	+1.5

Chebyshev(coeffs=[[-3.89375,-1.03879,-0.183626,-0.00517925],[10.4816,0.803465,-0.0208926,-0.0604482],[0.885999,0.199711,0.0981425,-0.00172413],[0.125128,-0.0551368,0.0396237,0.0191099],[-0.0259226,-0.0432677,-0.00146972,0.0145064],[-0.0438066,-0.00384466,-0.00906606,0.00211675]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.62
S298 (cal/mol*K) = -5.64
G298 (kcal/mol) = 24.30

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C4H5(156); C2H4(115), C3H5(597); C2H4(115)+C5H6(62)(+M)=>C3H5(597)+C4H5(156)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.894e+00 -1.039e+00 -1.836e-01 -5.179e-03 / CHEB/ 1.048e+01 8.035e-01 -2.089e-02 -6.045e-02 / CHEB/ 8.860e-01 1.997e-01 9.814e-02 -1.724e-03 / CHEB/ 1.251e-01 -5.514e-02 3.962e-02 1.911e-02 / CHEB/ -2.592e-02 -4.327e-02 -1.470e-03 1.451e-02 / CHEB/ -4.381e-02 -3.845e-03 -9.066e-03 2.117e-03 /

4763.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-3.7	-0.7	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-4.0	-0.9	+0.7

Chebyshev(coeffs=[[-3.18778,-1.1879,-0.116624,0.00528363],[8.58677,0.898151,-0.116698,-0.0682655],[1.22663,0.247945,0.0991176,-0.00710492],[0.146952,-0.0454573,0.0541841,0.0138871],[-0.0117278,-0.056122,0.00758301,0.0159156],[-0.0258681,-0.0140611,-0.00920578,0.00571765]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 11.31
S298 (cal/mol*K) = -21.63
G298 (kcal/mol) = 17.75

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(975); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(975)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.188e+00 -1.188e+00 -1.166e-01 5.284e-03 / CHEB/ 8.587e+00 8.982e-01 -1.167e-01 -6.827e-02 / CHEB/ 1.227e+00 2.479e-01 9.912e-02 -7.105e-03 / CHEB/ 1.470e-01 -4.546e-02 5.418e-02 1.389e-02 / CHEB/ -1.173e-02 -5.612e-02 7.583e-03 1.592e-02 / CHEB/ -2.587e-02 -1.406e-02 -9.206e-03 5.718e-03 /

4764.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.3	-6.2	-2.8	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-6.4	-2.9	-1.1

Chebyshev(coeffs=[[-6.91392,-1.05753,-0.173505,-0.00448518],[10.5957,0.821976,-0.0343489,-0.0603943],[1.06624,0.203922,0.100115,-0.00274079],[0.201826,-0.0567383,0.0416298,0.0189384],[0.000772804,-0.0456976,-0.00132091,0.0150302],[-0.0184814,-0.00486158,-0.00937383,0.00242327]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.62
S298 (cal/mol*K) = -20.70
G298 (kcal/mol) = 27.79

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(976); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(976)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.914e+00 -1.058e+00 -1.735e-01 -4.485e-03 / CHEB/ 1.060e+01 8.220e-01 -3.435e-02 -6.039e-02 / CHEB/ 1.066e+00 2.039e-01 1.001e-01 -2.741e-03 / CHEB/ 2.018e-01 -5.674e-02 4.163e-02 1.894e-02 / CHEB/ 7.728e-04 -4.570e-02 -1.321e-03 1.503e-02 / CHEB/ -1.848e-02 -4.862e-03 -9.374e-03 2.423e-03 /

4765.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.6	-4.3	-0.7	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-14.4	-4.5	-0.8	+1.0

Chebyshev(coeffs=[[-6.44484,-0.914142,-0.231032,-0.0126714],[12.6181,0.712176,0.0539425,-0.0562923],[0.800885,0.166,0.0922564,0.00754611],[0.13008,-0.0535807,0.0254112,0.0207843],[-0.0293236,-0.0310336,-0.00542981,0.0107141],[-0.0506277,0.00058144,-0.00680037,-0.000195264]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.28
S298 (cal/mol*K) = -5.14
G298 (kcal/mol) = 33.81

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H7(977); C2H4(115), CH3(425); C2H4(115)+C5H6(62)(+M)=>CH3(425)+C6H7(977)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.445e+00 -9.141e-01 -2.310e-01 -1.267e-02 / CHEB/ 1.262e+01 7.122e-01 5.394e-02 -5.629e-02 / CHEB/ 8.009e-01 1.660e-01 9.226e-02 7.546e-03 / CHEB/ 1.301e-01 -5.358e-02 2.541e-02 2.078e-02 / CHEB/ -2.932e-02 -3.103e-02 -5.430e-03 1.071e-02 / CHEB/ -5.063e-02 5.814e-04 -6.800e-03 -1.953e-04 /

4766.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.2	-8.4	-4.3	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-19.8	-8.6	-4.4	-2.3

Chebyshev(coeffs=[[-11.8704,-0.818366,-0.25749,-0.0228193],[14.6449,0.634205,0.101243,-0.0463206],[0.816576,0.146037,0.084859,0.0136243],[0.14662,-0.0485193,0.0155802,0.0199817],[-0.0250893,-0.0231072,-0.00622976,0.00755151],[-0.051012,0.00187115,-0.00468171,-0.00114696]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.42
S298 (cal/mol*K) = -15.08
G298 (kcal/mol) = 43.91

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(978); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(978)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.187e+01 -8.184e-01 -2.575e-01 -2.282e-02 / CHEB/ 1.464e+01 6.342e-01 1.012e-01 -4.632e-02 / CHEB/ 8.166e-01 1.460e-01 8.486e-02 1.362e-02 / CHEB/ 1.466e-01 -4.852e-02 1.558e-02 1.998e-02 / CHEB/ -2.509e-02 -2.311e-02 -6.230e-03 7.552e-03 / CHEB/ -5.101e-02 1.871e-03 -4.682e-03 -1.147e-03 /

4767.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.4	-9.0	-4.8	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-21.0	-9.2	-4.9	-2.7

Chebyshev(coeffs=[[-13.0957,-0.766035,-0.26723,-0.0298609],[15.5581,0.589857,0.122032,-0.0383245],[0.76865,0.137116,0.080096,0.0162824],[0.136418,-0.0451975,0.0110562,0.0188479],[-0.0283595,-0.0195239,-0.0060931,0.00596714],[-0.0526384,0.00218797,-0.00363444,-0.00139105]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.92
S298 (cal/mol*K) = -15.08
G298 (kcal/mol) = 47.41

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(979); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(979)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.310e+01 -7.660e-01 -2.672e-01 -2.986e-02 / CHEB/ 1.556e+01 5.899e-01 1.220e-01 -3.832e-02 / CHEB/ 7.687e-01 1.371e-01 8.010e-02 1.628e-02 / CHEB/ 1.364e-01 -4.520e-02 1.106e-02 1.885e-02 / CHEB/ -2.836e-02 -1.952e-02 -6.093e-03 5.967e-03 / CHEB/ -5.264e-02 2.188e-03 -3.634e-03 -1.391e-03 /

4768.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.4	-9.0	-4.8	-2.6
log₁₀(k(10 bar)/[mole,m,s])	-21.0	-9.2	-4.9	-2.7

H298 (kcal/mol) = 42.92
S298 (cal/mol*K) = -15.08
G298 (kcal/mol) = 47.41

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(980); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(980)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.310e+01 -7.660e-01 -2.672e-01 -2.986e-02 / CHEB/ 1.556e+01 5.899e-01 1.220e-01 -3.832e-02 / CHEB/ 7.687e-01 1.371e-01 8.010e-02 1.628e-02 / CHEB/ 1.364e-01 -4.520e-02 1.106e-02 1.885e-02 / CHEB/ -2.836e-02 -1.952e-02 -6.093e-03 5.967e-03 / CHEB/ -5.264e-02 2.188e-03 -3.634e-03 -1.391e-03 /

4769.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.2	-8.4	-4.3	-2.3
log₁₀(k(10 bar)/[mole,m,s])	-19.8	-8.6	-4.4	-2.3

H298 (kcal/mol) = 39.42
S298 (cal/mol*K) = -15.08
G298 (kcal/mol) = 43.91

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(981); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(981)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.187e+01 -8.184e-01 -2.575e-01 -2.282e-02 / CHEB/ 1.464e+01 6.342e-01 1.012e-01 -4.632e-02 / CHEB/ 8.166e-01 1.460e-01 8.486e-02 1.362e-02 / CHEB/ 1.466e-01 -4.852e-02 1.558e-02 1.998e-02 / CHEB/ -2.509e-02 -2.311e-02 -6.230e-03 7.552e-03 / CHEB/ -5.101e-02 1.871e-03 -4.682e-03 -1.147e-03 /

4770.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	-1.8	+0.1	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-7.1	-2.3	-0.1	+0.9

Chebyshev(coeffs=[[1.02342,-1.39581,-0.0668065,0.0411127],[4.87375,0.923426,-0.187217,-0.100468],[0.936896,0.330757,0.0619847,-0.0170665],[0.0832592,0.0166123,0.0568515,0.0101729],[-0.0166365,-0.0470526,0.0249967,0.0103708],[-0.0060744,-0.0338172,0.00114126,0.00644785]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.72
S298 (cal/mol*K) = -41.08
G298 (kcal/mol) = -12.48

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(837); C5H6(62), C7H10(837); C2H4(115)+C5H6(62)(+M)=>C7H10(837)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.023e+00 -1.396e+00 -6.681e-02 4.111e-02 / CHEB/ 4.874e+00 9.234e-01 -1.872e-01 -1.005e-01 / CHEB/ 9.369e-01 3.308e-01 6.198e-02 -1.707e-02 / CHEB/ 8.326e-02 1.661e-02 5.685e-02 1.017e-02 / CHEB/ -1.664e-02 -4.705e-02 2.500e-02 1.037e-02 / CHEB/ -6.074e-03 -3.382e-02 1.141e-03 6.448e-03 /

4771.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-1.5	+0.7	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-7.7	-1.9	+0.5	+1.7

Chebyshev(coeffs=[[0.636079,-1.32949,-0.077314,0.029898],[5.90436,0.934186,-0.172765,-0.0939358],[1.0906,0.300758,0.0777318,-0.00981293],[0.0941711,-0.00943801,0.0592231,0.0106314],[-0.0148696,-0.055648,0.0202535,0.0118668],[-0.0124173,-0.0282907,-0.00344483,0.007387]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.22
S298 (cal/mol*K) = -31.50
G298 (kcal/mol) = -1.83

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(982); C5H6(62), C7H10(982); C2H4(115)+C5H6(62)(+M)=>C7H10(982)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.361e-01 -1.329e+00 -7.731e-02 2.990e-02 / CHEB/ 5.904e+00 9.342e-01 -1.728e-01 -9.394e-02 / CHEB/ 1.091e+00 3.008e-01 7.773e-02 -9.813e-03 / CHEB/ 9.417e-02 -9.438e-03 5.922e-02 1.063e-02 / CHEB/ -1.487e-02 -5.565e-02 2.025e-02 1.187e-02 / CHEB/ -1.242e-02 -2.829e-02 -3.445e-03 7.387e-03 /

4772.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	-7.3	-3.9	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-16.7	-7.6	-4.0	-2.2

Chebyshev(coeffs=[[-8.52181,-1.03331,-0.185947,-0.00540013],[11.168,0.799752,-0.0173714,-0.0604225],[1.0126,0.198068,0.0979759,-0.00131696],[0.164222,-0.0552463,0.0390104,0.019246],[-0.0133032,-0.0427243,-0.00172158,0.014368],[-0.0397,-0.00356645,-0.00900032,0.00199428]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.88
S298 (cal/mol*K) = -34.20
G298 (kcal/mol) = 11.07

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(839); C5H6(62), C7H10(839); C2H4(115)+C5H6(62)(+M)=>C7H10(839)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.522e+00 -1.033e+00 -1.859e-01 -5.400e-03 / CHEB/ 1.117e+01 7.998e-01 -1.737e-02 -6.042e-02 / CHEB/ 1.013e+00 1.981e-01 9.798e-02 -1.317e-03 / CHEB/ 1.642e-01 -5.525e-02 3.901e-02 1.925e-02 / CHEB/ -1.330e-02 -4.272e-02 -1.722e-03 1.437e-02 / CHEB/ -3.970e-02 -3.566e-03 -9.000e-03 1.994e-03 /

4773.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-4.7	-3.0	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-10.0	-5.2	-3.2	-2.2

Chebyshev(coeffs=[[-1.90901,-1.35685,-0.0723887,0.0346854],[4.78035,0.932774,-0.179369,-0.0973051],[0.888333,0.31312,0.0715055,-0.0124011],[0.0468143,0.000357896,0.0587786,0.0106308],[-0.0305553,-0.0529709,0.0224296,0.0111184],[-0.014913,-0.0308814,-0.00167672,0.00707541]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.31
S298 (cal/mol*K) = -47.47
G298 (kcal/mol) = -20.16

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(983); C5H6(62), C7H10(983); C2H4(115)+C5H6(62)(+M)=>C7H10(983)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.909e+00 -1.357e+00 -7.239e-02 3.469e-02 / CHEB/ 4.780e+00 9.328e-01 -1.794e-01 -9.731e-02 / CHEB/ 8.883e-01 3.131e-01 7.151e-02 -1.240e-02 / CHEB/ 4.681e-02 3.579e-04 5.878e-02 1.063e-02 / CHEB/ -3.056e-02 -5.297e-02 2.243e-02 1.112e-02 / CHEB/ -1.491e-02 -3.088e-02 -1.677e-03 7.075e-03 /

4774.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.1	-5.5	-3.0	-1.8
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-5.9	-3.2	-1.9

Chebyshev(coeffs=[[-3.64367,-1.30417,-0.0821288,0.0255161],[6.48116,0.934425,-0.165705,-0.0903447],[1.2016,0.289905,0.0833507,-0.00790843],[0.120132,-0.0180646,0.0592895,0.0108163],[-0.023683,-0.0574351,0.0179792,0.0126872],[-0.00873447,-0.0257874,-0.00497857,0.0074938]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.56
S298 (cal/mol*K) = -39.44
G298 (kcal/mol) = 0.19

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(984); C5H6(62), C7H10(984); C2H4(115)+C5H6(62)(+M)=>C7H10(984)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.644e+00 -1.304e+00 -8.213e-02 2.552e-02 / CHEB/ 6.481e+00 9.344e-01 -1.657e-01 -9.034e-02 / CHEB/ 1.202e+00 2.899e-01 8.335e-02 -7.908e-03 / CHEB/ 1.201e-01 -1.806e-02 5.929e-02 1.082e-02 / CHEB/ -2.368e-02 -5.744e-02 1.798e-02 1.269e-02 / CHEB/ -8.734e-03 -2.579e-02 -4.979e-03 7.494e-03 /

4775.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.1	-6.4	-3.6	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-14.0	-6.7	-3.7	-2.2

Chebyshev(coeffs=[[-5.66173,-1.20462,-0.112806,0.0071023],[8.22209,0.897249,-0.124195,-0.0700744],[1.16408,0.255674,0.0956605,-0.0080587],[0.133164,-0.040727,0.0551041,0.0128611],[-0.0088319,-0.0565008,0.00958211,0.0156157],[-0.0236765,-0.0159539,-0.00845238,0.00621497]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.88
S298 (cal/mol*K) = -34.20
G298 (kcal/mol) = 11.07

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(985); C5H6(62), C7H10(985); C2H4(115)+C5H6(62)(+M)=>C7H10(985)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.662e+00 -1.205e+00 -1.128e-01 7.102e-03 / CHEB/ 8.222e+00 8.972e-01 -1.242e-01 -7.007e-02 / CHEB/ 1.164e+00 2.557e-01 9.566e-02 -8.059e-03 / CHEB/ 1.332e-01 -4.073e-02 5.510e-02 1.286e-02 / CHEB/ -8.832e-03 -5.650e-02 9.582e-03 1.562e-02 / CHEB/ -2.368e-02 -1.595e-02 -8.452e-03 6.215e-03 /

4776.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.4	-7.6	-4.4	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-7.9	-4.5	-2.8

Chebyshev(coeffs=[[-8.03522,-1.10618,-0.1542,-0.0023646],[9.98981,0.846033,-0.0646848,-0.0610024],[1.09022,0.221445,0.0990673,-0.00614543],[0.159551,-0.0522246,0.0468835,0.016985],[-0.00994294,-0.0496587,0.00223695,0.0158046],[-0.0331965,-0.00791946,-0.00949459,0.00374121]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.74
S298 (cal/mol*K) = -33.82
G298 (kcal/mol) = 19.82

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(986); C5H6(62), C7H10(986); C2H4(115)+C5H6(62)(+M)=>C7H10(986)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.035e+00 -1.106e+00 -1.542e-01 -2.365e-03 / CHEB/ 9.990e+00 8.460e-01 -6.468e-02 -6.100e-02 / CHEB/ 1.090e+00 2.214e-01 9.907e-02 -6.145e-03 / CHEB/ 1.596e-01 -5.222e-02 4.688e-02 1.698e-02 / CHEB/ -9.943e-03 -4.966e-02 2.237e-03 1.580e-02 / CHEB/ -3.320e-02 -7.919e-03 -9.495e-03 3.741e-03 /

4777.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.7	-4.7	-2.2	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-5.1	-2.3	-0.9

Chebyshev(coeffs=[[-3.26301,-1.27135,-0.0910001,0.0190325],[7.06443,0.923833,-0.154435,-0.0836697],[1.18157,0.27782,0.0884607,-0.00723097],[0.114524,-0.0263305,0.0582378,0.0108219],[-0.00873329,-0.0579978,0.0152918,0.0138618],[-0.0169776,-0.0223813,-0.00638152,0.0073412]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.88
S298 (cal/mol*K) = -34.20
G298 (kcal/mol) = 11.07

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(840); C5H6(62), C7H10(840); C2H4(115)+C5H6(62)(+M)=>C7H10(840)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.263e+00 -1.271e+00 -9.100e-02 1.903e-02 / CHEB/ 7.064e+00 9.238e-01 -1.544e-01 -8.367e-02 / CHEB/ 1.182e+00 2.778e-01 8.846e-02 -7.231e-03 / CHEB/ 1.145e-01 -2.633e-02 5.824e-02 1.082e-02 / CHEB/ -8.733e-03 -5.800e-02 1.529e-02 1.386e-02 / CHEB/ -1.698e-02 -2.238e-02 -6.382e-03 7.341e-03 /

4778.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.3	-7.5	-4.4	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-7.8	-4.5	-2.8

Chebyshev(coeffs=[[-7.90515,-1.10618,-0.1542,-0.0023646],[9.92306,0.846033,-0.0646848,-0.0610024],[1.07548,0.221445,0.0990673,-0.00614543],[0.155211,-0.0522246,0.0468835,0.016985],[-0.0113798,-0.0496587,0.00223695,0.0158046],[-0.0337027,-0.00791946,-0.00949459,0.00374121]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.74
S298 (cal/mol*K) = -33.82
G298 (kcal/mol) = 19.82

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(987); C5H6(62), C7H10(987); C2H4(115)+C5H6(62)(+M)=>C7H10(987)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.905e+00 -1.106e+00 -1.542e-01 -2.365e-03 / CHEB/ 9.923e+00 8.460e-01 -6.468e-02 -6.100e-02 / CHEB/ 1.075e+00 2.214e-01 9.907e-02 -6.145e-03 / CHEB/ 1.552e-01 -5.222e-02 4.688e-02 1.698e-02 / CHEB/ -1.138e-02 -4.966e-02 2.237e-03 1.580e-02 / CHEB/ -3.370e-02 -7.919e-03 -9.495e-03 3.741e-03 /

4779.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-4.9	-2.4	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-5.3	-2.6	-1.2

Chebyshev(coeffs=[[-3.4337,-1.27135,-0.0910001,0.0190325],[6.99768,0.923833,-0.154435,-0.0836697],[1.16683,0.27782,0.0884607,-0.00723097],[0.110185,-0.0263305,0.0582378,0.0108219],[-0.0101701,-0.0579978,0.0152918,0.0138618],[-0.0174838,-0.0223813,-0.00638152,0.0073412]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.88
S298 (cal/mol*K) = -34.20
G298 (kcal/mol) = 11.07

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(988); C5H6(62), C7H10(988); C2H4(115)+C5H6(62)(+M)=>C7H10(988)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.434e+00 -1.271e+00 -9.100e-02 1.903e-02 / CHEB/ 6.998e+00 9.238e-01 -1.544e-01 -8.367e-02 / CHEB/ 1.167e+00 2.778e-01 8.846e-02 -7.231e-03 / CHEB/ 1.102e-01 -2.633e-02 5.824e-02 1.082e-02 / CHEB/ -1.017e-02 -5.800e-02 1.529e-02 1.386e-02 / CHEB/ -1.748e-02 -2.238e-02 -6.382e-03 7.341e-03 /

4780.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.5	-2.4	+0.1	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-9.4	-2.8	-0.0	+1.4

Chebyshev(coeffs=[[-1.03687,-1.27052,-0.0912271,0.0188755],[7.11103,0.923577,-0.154127,-0.0835006],[1.18896,0.277535,0.0885816,-0.0072246],[0.116829,-0.0265398,0.0582108,0.0108343],[-0.00801091,-0.0580029,0.015221,0.0138896],[-0.0168124,-0.022299,-0.0064148,0.00733323]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.90
S298 (cal/mol*K) = -29.63
G298 (kcal/mol) = 9.73

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(953); C5H6(62), C7H10(953); C2H4(115)+C5H6(62)(+M)=>C7H10(953)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.037e+00 -1.271e+00 -9.123e-02 1.888e-02 / CHEB/ 7.111e+00 9.236e-01 -1.541e-01 -8.350e-02 / CHEB/ 1.189e+00 2.775e-01 8.858e-02 -7.225e-03 / CHEB/ 1.168e-01 -2.654e-02 5.821e-02 1.083e-02 / CHEB/ -8.011e-03 -5.800e-02 1.522e-02 1.389e-02 / CHEB/ -1.681e-02 -2.230e-02 -6.415e-03 7.333e-03 /

4781.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.3	-1.6	+1.9	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-1.9	+1.8	+3.6

Chebyshev(coeffs=[[-2.95731,-1.01902,-0.190621,-0.00603928],[11.451,0.793663,-0.00897461,-0.0601533],[1.01142,0.192877,0.0984631,-1.73942e-06],[0.167152,-0.0563377,0.0372562,0.0197631],[-0.00042514,-0.041683,-0.00258283,0.0139997],[-0.0437062,-0.00259201,-0.00897869,0.00157738]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.17
S298 (cal/mol*K) = -20.19
G298 (kcal/mol) = 11.19

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(989); C5H6(62), C7H10(989); C2H4(115)+C5H6(62)(+M)=>C7H10(989)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.957e+00 -1.019e+00 -1.906e-01 -6.039e-03 / CHEB/ 1.145e+01 7.937e-01 -8.975e-03 -6.015e-02 / CHEB/ 1.011e+00 1.929e-01 9.846e-02 -1.739e-06 / CHEB/ 1.672e-01 -5.634e-02 3.726e-02 1.976e-02 / CHEB/ -4.251e-04 -4.168e-02 -2.583e-03 1.400e-02 / CHEB/ -4.371e-02 -2.592e-03 -8.979e-03 1.577e-03 /

4782.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	-1.1	+2.2	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-1.4	+2.1	+3.8

Chebyshev(coeffs=[[-1.87877,-1.07899,-0.166355,-0.00356104],[10.505,0.82905,-0.0466872,-0.0606406],[1.07558,0.213002,0.0985852,-0.00455731],[0.168112,-0.0539258,0.0442416,0.0179239],[-0.00986045,-0.0472099,0.000611202,0.0153898],[-0.0351351,-0.00613403,-0.00943073,0.00307523]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.36
S298 (cal/mol*K) = -20.63
G298 (kcal/mol) = 7.51

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(990); C5H6(62), C7H10(990); C2H4(115)+C5H6(62)(+M)=>C7H10(990)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.879e+00 -1.079e+00 -1.664e-01 -3.561e-03 / CHEB/ 1.050e+01 8.290e-01 -4.669e-02 -6.064e-02 / CHEB/ 1.076e+00 2.130e-01 9.859e-02 -4.557e-03 / CHEB/ 1.681e-01 -5.393e-02 4.424e-02 1.792e-02 / CHEB/ -9.860e-03 -4.721e-02 6.112e-04 1.539e-02 / CHEB/ -3.514e-02 -6.134e-03 -9.431e-03 3.075e-03 /

4783.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-1.2	+2.1	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-10.3	-1.5	+2.0	+3.8

Chebyshev(coeffs=[[-2.05071,-1.06717,-0.170252,-0.00410077],[10.6553,0.825309,-0.0399271,-0.0604261],[1.05159,0.207896,0.0996064,-0.00354541],[0.163875,-0.0551352,0.0427009,0.0184801],[0.00280118,-0.0464852,-0.000231243,0.015185],[-0.0398075,-0.00517481,-0.00951246,0.00269769]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.79
S298 (cal/mol*K) = -21.63
G298 (kcal/mol) = 8.23

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(991); C5H6(62), C7H10(991); C2H4(115)+C5H6(62)(+M)=>C7H10(991)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.051e+00 -1.067e+00 -1.703e-01 -4.101e-03 / CHEB/ 1.066e+01 8.253e-01 -3.993e-02 -6.043e-02 / CHEB/ 1.052e+00 2.079e-01 9.961e-02 -3.545e-03 / CHEB/ 1.639e-01 -5.514e-02 4.270e-02 1.848e-02 / CHEB/ 2.801e-03 -4.649e-02 -2.312e-04 1.519e-02 / CHEB/ -3.981e-02 -5.175e-03 -9.512e-03 2.698e-03 /

4784.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.7	-10.6	-7.2	-5.6
log₁₀(k(10 bar)/[mole,m,s])	-20.4	-10.9	-7.3	-5.6

Chebyshev(coeffs=[[-12.5303,-0.927533,-0.226787,-0.0115037],[12.1098,0.721777,0.0469015,-0.0572224],[0.746727,0.170268,0.0926651,0.00650943],[0.11463,-0.0543168,0.0271534,0.0207575],[-0.0350326,-0.0324158,-0.00514017,0.0111898],[-0.0521167,0.00029892,-0.00714138,1.19033e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.09
S298 (cal/mol*K) = -46.44
G298 (kcal/mol) = 9.75

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(992); C5H6(62), C7H10(992); C2H4(115)+C5H6(62)(+M)=>C7H10(992)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.253e+01 -9.275e-01 -2.268e-01 -1.150e-02 / CHEB/ 1.211e+01 7.218e-01 4.690e-02 -5.722e-02 / CHEB/ 7.467e-01 1.703e-01 9.267e-02 6.509e-03 / CHEB/ 1.146e-01 -5.432e-02 2.715e-02 2.076e-02 / CHEB/ -3.503e-02 -3.242e-02 -5.140e-03 1.119e-02 / CHEB/ -5.212e-02 2.989e-04 -7.141e-03 1.190e-05 /

4785.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.9	-4.2	-1.8	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-10.8	-4.6	-1.9	-0.6

Chebyshev(coeffs=[[-2.53663,-1.27426,-0.0901999,0.019591],[6.71982,0.924727,-0.155521,-0.0842679],[1.11568,0.278841,0.0880237,-0.00725954],[0.0947368,-0.0255845,0.0583324,0.0107815],[-0.0151405,-0.057976,0.0155435,0.0137622],[-0.0189161,-0.0226752,-0.00626142,0.0073681]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.50
S298 (cal/mol*K) = -42.84
G298 (kcal/mol) = 15.26

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(774); C5H6(62), C7H10(774); C2H4(115)+C5H6(62)(+M)=>C7H10(774)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.537e+00 -1.274e+00 -9.020e-02 1.959e-02 / CHEB/ 6.720e+00 9.247e-01 -1.555e-01 -8.427e-02 / CHEB/ 1.116e+00 2.788e-01 8.802e-02 -7.260e-03 / CHEB/ 9.474e-02 -2.558e-02 5.833e-02 1.078e-02 / CHEB/ -1.514e-02 -5.798e-02 1.554e-02 1.376e-02 / CHEB/ -1.892e-02 -2.268e-02 -6.261e-03 7.368e-03 /

4824.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+3.3	+4.6	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-1.2	+2.8	+4.3	+4.9

Chebyshev(coeffs=[[6.61224,-1.33228,-0.0819557,0.0111214],[3.74878,0.849838,-0.184418,-0.0694974],[0.650701,0.275288,0.0533188,-0.0157965],[-0.0306779,0.0195455,0.0587604,0.00753189],[-0.0728497,-0.0312589,0.0278238,0.00925182],[-0.0318177,-0.0241112,0.00201628,0.00638858]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.46
S298 (cal/mol*K) = -12.30
G298 (kcal/mol) = -30.80

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H7(993); C2H4(115), CH3(425); C2H4(115)+C5H6(62)(+M)=>CH3(425)+C6H7(993)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.612e+00 -1.332e+00 -8.196e-02 1.112e-02 / CHEB/ 3.749e+00 8.498e-01 -1.844e-01 -6.950e-02 / CHEB/ 6.507e-01 2.753e-01 5.332e-02 -1.580e-02 / CHEB/ -3.068e-02 1.955e-02 5.876e-02 7.532e-03 / CHEB/ -7.285e-02 -3.126e-02 2.782e-02 9.252e-03 / CHEB/ -3.182e-02 -2.411e-02 2.016e-03 6.389e-03 /

4825.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.0	+0.4	+2.0	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-4.9	-0.1	+1.8	+2.7

Chebyshev(coeffs=[[3.08953,-1.3154,-0.0844984,0.0088849],[4.76978,0.857779,-0.179705,-0.0685914],[0.877234,0.270882,0.0587095,-0.0141726],[0.025363,0.0132083,0.0598754,0.00780932],[-0.055317,-0.0346058,0.0264869,0.0097803],[-0.0267018,-0.0237203,0.000571978,0.00680627]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.70
S298 (cal/mol*K) = -22.31
G298 (kcal/mol) = -19.06

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(994); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(994)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.090e+00 -1.315e+00 -8.450e-02 8.885e-03 / CHEB/ 4.770e+00 8.578e-01 -1.797e-01 -6.859e-02 / CHEB/ 8.772e-01 2.709e-01 5.871e-02 -1.417e-02 / CHEB/ 2.536e-02 1.321e-02 5.988e-02 7.809e-03 / CHEB/ -5.532e-02 -3.461e-02 2.649e-02 9.780e-03 / CHEB/ -2.670e-02 -2.372e-02 5.720e-04 6.806e-03 /

4826.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	-0.2	+1.6	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-5.5	-0.6	+1.3	+2.2

Chebyshev(coeffs=[[2.48689,-1.3075,-0.0858049,0.00782544],[4.89145,0.86094,-0.177383,-0.0680651],[0.901629,0.268607,0.0611974,-0.0134404],[0.0274131,0.0102811,0.060265,0.00791472],[-0.0549224,-0.0360216,0.0257862,0.0100494],[-0.0270869,-0.0234128,-9.14286e-05,0.00698433]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.17
S298 (cal/mol*K) = -23.13
G298 (kcal/mol) = -17.28

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(995); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(995)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.487e+00 -1.308e+00 -8.580e-02 7.825e-03 / CHEB/ 4.891e+00 8.609e-01 -1.774e-01 -6.807e-02 / CHEB/ 9.016e-01 2.686e-01 6.120e-02 -1.344e-02 / CHEB/ 2.741e-02 1.028e-02 6.027e-02 7.915e-03 / CHEB/ -5.492e-02 -3.602e-02 2.579e-02 1.005e-02 / CHEB/ -2.709e-02 -2.341e-02 -9.143e-05 6.984e-03 /

4827.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-2.8	-0.4	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-9.8	-3.2	-0.5	+0.7

Chebyshev(coeffs=[[-1.51722,-1.19855,-0.11201,-0.00719835],[7.09047,0.869994,-0.134894,-0.0548937],[1.16787,0.234531,0.0894107,-0.007929],[0.0642693,-0.0241288,0.0584389,0.00974614],[-0.0480558,-0.0455612,0.014011,0.0146924],[-0.0312576,-0.0146449,-0.00703678,0.00719444]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.46
S298 (cal/mol*K) = -20.90
G298 (kcal/mol) = 7.68

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(217); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(217)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.517e+00 -1.199e+00 -1.120e-01 -7.198e-03 / CHEB/ 7.090e+00 8.700e-01 -1.349e-01 -5.489e-02 / CHEB/ 1.168e+00 2.345e-01 8.941e-02 -7.929e-03 / CHEB/ 6.427e-02 -2.413e-02 5.844e-02 9.746e-03 / CHEB/ -4.806e-02 -4.556e-02 1.401e-02 1.469e-02 / CHEB/ -3.126e-02 -1.464e-02 -7.037e-03 7.194e-03 /

4828.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.3	-5.6	-3.0	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-13.1	-6.0	-3.1	-1.8

Chebyshev(coeffs=[[-4.89443,-1.15351,-0.130344,-0.0130745],[8.00071,0.850691,-0.108607,-0.0477988],[1.11629,0.222946,0.0937958,-0.0090737],[0.07251,-0.0338174,0.0549034,0.0117838],[-0.0412101,-0.0442305,0.00964134,0.0158897],[-0.0362036,-0.0106288,-0.00814043,0.0060713]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.36
S298 (cal/mol*K) = -22.81
G298 (kcal/mol) = 16.15

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(996); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(996)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.894e+00 -1.154e+00 -1.303e-01 -1.307e-02 / CHEB/ 8.001e+00 8.507e-01 -1.086e-01 -4.780e-02 / CHEB/ 1.116e+00 2.229e-01 9.380e-02 -9.074e-03 / CHEB/ 7.251e-02 -3.382e-02 5.490e-02 1.178e-02 / CHEB/ -4.121e-02 -4.423e-02 9.641e-03 1.589e-02 / CHEB/ -3.620e-02 -1.063e-02 -8.140e-03 6.071e-03 /

4829.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.3	-5.6	-3.0	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-13.1	-6.0	-3.1	-1.8

H298 (kcal/mol) = 9.36
S298 (cal/mol*K) = -22.81
G298 (kcal/mol) = 16.15

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(997); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(997)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.894e+00 -1.154e+00 -1.303e-01 -1.307e-02 / CHEB/ 8.001e+00 8.507e-01 -1.086e-01 -4.780e-02 / CHEB/ 1.116e+00 2.229e-01 9.380e-02 -9.074e-03 / CHEB/ 7.251e-02 -3.382e-02 5.490e-02 1.178e-02 / CHEB/ -4.121e-02 -4.423e-02 9.641e-03 1.589e-02 / CHEB/ -3.620e-02 -1.063e-02 -8.140e-03 6.071e-03 /

4830.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	-3.3	-0.9	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-3.7	-1.0	+0.2

Chebyshev(coeffs=[[-1.85255,-1.20977,-0.109513,-0.00595401],[6.92314,0.868571,-0.140058,-0.0562865],[1.13894,0.237803,0.0865815,-0.00832911],[0.0581825,-0.0206755,0.0588075,0.00918724],[-0.0420883,-0.0451352,0.0154148,0.0142328],[-0.0314884,-0.0156673,-0.00640852,0.00739657]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.16
S298 (cal/mol*K) = -23.91
G298 (kcal/mol) = 7.28

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(998); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(998)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.853e+00 -1.210e+00 -1.095e-01 -5.954e-03 / CHEB/ 6.923e+00 8.686e-01 -1.401e-01 -5.629e-02 / CHEB/ 1.139e+00 2.378e-01 8.658e-02 -8.329e-03 / CHEB/ 5.818e-02 -2.068e-02 5.881e-02 9.187e-03 / CHEB/ -4.209e-02 -4.514e-02 1.541e-02 1.423e-02 / CHEB/ -3.149e-02 -1.567e-02 -6.409e-03 7.397e-03 /

4831.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	-3.3	-0.9	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-3.7	-1.0	+0.2

H298 (kcal/mol) = 0.16
S298 (cal/mol*K) = -23.91
G298 (kcal/mol) = 7.28

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(999); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(999)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.853e+00 -1.210e+00 -1.095e-01 -5.954e-03 / CHEB/ 6.923e+00 8.686e-01 -1.401e-01 -5.629e-02 / CHEB/ 1.139e+00 2.378e-01 8.658e-02 -8.329e-03 / CHEB/ 5.818e-02 -2.068e-02 5.881e-02 9.187e-03 / CHEB/ -4.209e-02 -4.514e-02 1.541e-02 1.423e-02 / CHEB/ -3.149e-02 -1.567e-02 -6.409e-03 7.397e-03 /

4832.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.3	-1.7	-0.4	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-6.2	-2.2	-0.6	-0.0

Chebyshev(coeffs=[[1.56092,-1.35599,-0.0788854,0.0142205],[3.87651,0.83608,-0.19053,-0.0702772],[0.664402,0.280184,0.0456626,-0.0181281],[-0.0132411,0.0284445,0.0565722,0.0070199],[-0.0648731,-0.0258789,0.0292704,0.00860264],[-0.0275912,-0.023976,0.00403932,0.00574134]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -48.63
S298 (cal/mol*K) = -48.67
G298 (kcal/mol) = -34.13

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(808); C5H6(62), C7H10(808); C2H4(115)+C5H6(62)(+M)=>C7H10(808)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.561e+00 -1.356e+00 -7.889e-02 1.422e-02 / CHEB/ 3.877e+00 8.361e-01 -1.905e-01 -7.028e-02 / CHEB/ 6.644e-01 2.802e-01 4.566e-02 -1.813e-02 / CHEB/ -1.324e-02 2.844e-02 5.657e-02 7.020e-03 / CHEB/ -6.487e-02 -2.588e-02 2.927e-02 8.603e-03 / CHEB/ -2.759e-02 -2.398e-02 4.039e-03 5.741e-03 /

4833.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-2.1	-0.7	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-2.6	-1.0	-0.3

Chebyshev(coeffs=[[1.05747,-1.35238,-0.0793193,0.0137506],[4.05965,0.838364,-0.189635,-0.0701952],[0.707939,0.279548,0.0468299,-0.0177739],[-0.00230843,0.0271016,0.05695,0.00710655],[-0.0616346,-0.0267445,0.0290856,0.00869529],[-0.0266621,-0.0240517,0.00373587,0.00584333]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -46.68
S298 (cal/mol*K) = -48.10
G298 (kcal/mol) = -32.35

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(492); C5H6(62), C7H10(492); C2H4(115)+C5H6(62)(+M)=>C7H10(492)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.057e+00 -1.352e+00 -7.932e-02 1.375e-02 / CHEB/ 4.060e+00 8.384e-01 -1.896e-01 -7.020e-02 / CHEB/ 7.079e-01 2.795e-01 4.683e-02 -1.777e-02 / CHEB/ -2.308e-03 2.710e-02 5.695e-02 7.107e-03 / CHEB/ -6.163e-02 -2.674e-02 2.909e-02 8.695e-03 / CHEB/ -2.666e-02 -2.405e-02 3.736e-03 5.843e-03 /

4834.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	-1.6	+0.3	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-2.0	+0.1	+1.0

Chebyshev(coeffs=[[0.892373,-1.28658,-0.0896574,0.00497645],[5.21236,0.867517,-0.170834,-0.0663524],[0.95598,0.262109,0.067603,-0.0116462],[0.030011,0.00276189,0.0608841,0.00813106],[-0.0542061,-0.0392775,0.0237484,0.0108325],[-0.0283442,-0.0222684,-0.00177188,0.00738165]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.43
S298 (cal/mol*K) = -42.02
G298 (kcal/mol) = -9.91

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(535); C5H6(62), C7H10(535); C2H4(115)+C5H6(62)(+M)=>C7H10(535)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.924e-01 -1.287e+00 -8.966e-02 4.976e-03 / CHEB/ 5.212e+00 8.675e-01 -1.708e-01 -6.635e-02 / CHEB/ 9.560e-01 2.621e-01 6.760e-02 -1.165e-02 / CHEB/ 3.001e-02 2.762e-03 6.088e-02 8.131e-03 / CHEB/ -5.421e-02 -3.928e-02 2.375e-02 1.083e-02 / CHEB/ -2.834e-02 -2.227e-02 -1.772e-03 7.382e-03 /

4835.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	-1.6	+0.3	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-2.0	+0.1	+1.1

Chebyshev(coeffs=[[0.828239,-1.28814,-0.0893498,0.00519092],[5.3096,0.867119,-0.171344,-0.066496],[0.979201,0.262611,0.0671373,-0.0117709],[0.037816,0.00330754,0.0608584,0.00811745],[-0.0516403,-0.0390601,0.0239078,0.0107707],[-0.0273203,-0.0223684,-0.00165148,0.00735643]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.68
S298 (cal/mol*K) = -42.48
G298 (kcal/mol) = -10.02

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), S(1000); C5H6(62), S(1000); C2H4(115)+C5H6(62)(+M)=>S(1000)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.282e-01 -1.288e+00 -8.935e-02 5.191e-03 / CHEB/ 5.310e+00 8.671e-01 -1.713e-01 -6.650e-02 / CHEB/ 9.792e-01 2.626e-01 6.714e-02 -1.177e-02 / CHEB/ 3.782e-02 3.308e-03 6.086e-02 8.117e-03 / CHEB/ -5.164e-02 -3.906e-02 2.391e-02 1.077e-02 / CHEB/ -2.732e-02 -2.237e-02 -1.651e-03 7.356e-03 /

4836.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-3.9	-2.2	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-4.4	-2.4	-1.5

Chebyshev(coeffs=[[-1.13497,-1.3088,-0.0848397,0.00821881],[4.77789,0.862898,-0.177656,-0.0683747],[0.898825,0.270137,0.0609717,-0.0135505],[0.0450546,0.0105721,0.0605548,0.00813296],[-0.0453606,-0.0363451,0.026046,0.01008],[-0.0195968,-0.0237899,-2.62706e-05,0.00694125]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -44.03
S298 (cal/mol*K) = -48.82
G298 (kcal/mol) = -29.48

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(809); C5H6(62), C7H10(809); C2H4(115)+C5H6(62)(+M)=>C7H10(809)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.135e+00 -1.309e+00 -8.484e-02 8.219e-03 / CHEB/ 4.778e+00 8.629e-01 -1.777e-01 -6.837e-02 / CHEB/ 8.988e-01 2.701e-01 6.097e-02 -1.355e-02 / CHEB/ 4.505e-02 1.057e-02 6.055e-02 8.133e-03 / CHEB/ -4.536e-02 -3.635e-02 2.605e-02 1.008e-02 / CHEB/ -1.960e-02 -2.379e-02 -2.627e-05 6.941e-03 /

4837.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	-1.5	-0.2	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-6.2	-2.1	-0.5	+0.2

Chebyshev(coeffs=[[1.65916,-1.35643,-0.078209,0.014459],[3.96049,0.837664,-0.190322,-0.0703938],[0.692502,0.28172,0.0457001,-0.0182351],[-0.00188326,0.029145,0.0568083,0.00714775],[-0.0611323,-0.0257907,0.029469,0.00867067],[-0.0264298,-0.0241861,0.00410095,0.00572462]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.48
S298 (cal/mol*K) = -56.23
G298 (kcal/mol) = -44.72

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(491); C5H6(62), C7H10(491); C2H4(115)+C5H6(62)(+M)=>C7H10(491)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.659e+00 -1.356e+00 -7.821e-02 1.446e-02 / CHEB/ 3.960e+00 8.377e-01 -1.903e-01 -7.039e-02 / CHEB/ 6.925e-01 2.817e-01 4.570e-02 -1.824e-02 / CHEB/ -1.883e-03 2.915e-02 5.681e-02 7.148e-03 / CHEB/ -6.113e-02 -2.579e-02 2.947e-02 8.671e-03 / CHEB/ -2.643e-02 -2.419e-02 4.101e-03 5.725e-03 /

4838.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-3.7	-1.5	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-10.0	-4.1	-1.7	-0.5

Chebyshev(coeffs=[[-1.7336,-1.24363,-0.098926,-0.0008757],[6.0958,0.874836,-0.155329,-0.0616528],[1.1285,0.248102,0.0798045,-0.00883798],[0.0612849,-0.011564,0.0606779,0.00868289],[-0.0683041,-0.0438228,0.0189712,0.012696],[-0.0216461,-0.0189454,-0.00477393,0.00771845]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.43
S298 (cal/mol*K) = -42.02
G298 (kcal/mol) = -9.91

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), S(1001); C5H6(62), S(1001); C2H4(115)+C5H6(62)(+M)=>S(1001)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.734e+00 -1.244e+00 -9.893e-02 -8.757e-04 / CHEB/ 6.096e+00 8.748e-01 -1.553e-01 -6.165e-02 / CHEB/ 1.129e+00 2.481e-01 7.980e-02 -8.838e-03 / CHEB/ 6.128e-02 -1.156e-02 6.068e-02 8.683e-03 / CHEB/ -6.830e-02 -4.382e-02 1.897e-02 1.270e-02 / CHEB/ -2.165e-02 -1.895e-02 -4.774e-03 7.718e-03 /

4839.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.9	-3.5	-1.3	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-9.8	-3.9	-1.5	-0.3

Chebyshev(coeffs=[[-1.61177,-1.24308,-0.098824,-0.000902197],[6.19639,0.875366,-0.154932,-0.0615626],[1.09751,0.248559,0.0799056,-0.00880964],[0.0517996,-0.0115928,0.060733,0.00873077],[-0.0399762,-0.0441865,0.0190844,0.0127775],[-0.0308206,-0.0189237,-0.00487261,0.00769307]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.68
S298 (cal/mol*K) = -42.48
G298 (kcal/mol) = -10.02

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), S(1002); C5H6(62), S(1002); C2H4(115)+C5H6(62)(+M)=>S(1002)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.612e+00 -1.243e+00 -9.882e-02 -9.022e-04 / CHEB/ 6.196e+00 8.754e-01 -1.549e-01 -6.156e-02 / CHEB/ 1.098e+00 2.486e-01 7.991e-02 -8.810e-03 / CHEB/ 5.180e-02 -1.159e-02 6.073e-02 8.731e-03 / CHEB/ -3.998e-02 -4.419e-02 1.908e-02 1.278e-02 / CHEB/ -3.082e-02 -1.892e-02 -4.873e-03 7.693e-03 /

4840.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-3.3	-1.6	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-8.6	-3.8	-1.9	-1.0

Chebyshev(coeffs=[[-0.619256,-1.31179,-0.0850866,0.00840118],[4.80247,0.859271,-0.178652,-0.0683588],[0.883567,0.269856,0.0598516,-0.0138347],[0.024886,0.0118642,0.0600643,0.00785943],[-0.0556197,-0.0352662,0.0261717,0.00990169],[-0.0270457,-0.0235889,0.000266942,0.00688935]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.58
S298 (cal/mol*K) = -40.57
G298 (kcal/mol) = -18.49

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(440); C5H6(62), C7H10(440); C2H4(115)+C5H6(62)(+M)=>C7H10(440)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.193e-01 -1.312e+00 -8.509e-02 8.401e-03 / CHEB/ 4.802e+00 8.593e-01 -1.787e-01 -6.836e-02 / CHEB/ 8.836e-01 2.699e-01 5.985e-02 -1.383e-02 / CHEB/ 2.489e-02 1.186e-02 6.006e-02 7.859e-03 / CHEB/ -5.562e-02 -3.527e-02 2.617e-02 9.902e-03 / CHEB/ -2.705e-02 -2.359e-02 2.669e-04 6.889e-03 /

4841.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	-2.3	-1.1	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-2.8	-1.3	-0.8

Chebyshev(coeffs=[[1.07322,-1.36333,-0.0780386,0.0151724],[3.667,0.831247,-0.192306,-0.0704033],[0.610979,0.281341,0.0432979,-0.0188412],[-0.0253439,0.0311429,0.0557594,0.00683561],[-0.068069,-0.0240781,0.0296036,0.00842091],[-0.0282918,-0.0237594,0.00464562,0.00553147]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -48.03
S298 (cal/mol*K) = -47.52
G298 (kcal/mol) = -33.87

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), S(1003); C5H6(62), S(1003); C2H4(115)+C5H6(62)(+M)=>S(1003)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.073e+00 -1.363e+00 -7.804e-02 1.517e-02 / CHEB/ 3.667e+00 8.312e-01 -1.923e-01 -7.040e-02 / CHEB/ 6.110e-01 2.813e-01 4.330e-02 -1.884e-02 / CHEB/ -2.534e-02 3.114e-02 5.576e-02 6.836e-03 / CHEB/ -6.807e-02 -2.408e-02 2.960e-02 8.421e-03 / CHEB/ -2.829e-02 -2.376e-02 4.646e-03 5.531e-03 /

4842.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-4.2	-2.7	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-9.1	-4.7	-2.9	-2.1

Chebyshev(coeffs=[[-1.18489,-1.33233,-0.0814,0.0112847],[4.34188,0.851524,-0.184271,-0.0696354],[0.768656,0.276454,0.0533398,-0.015864],[0.0273093,0.0195512,0.0589988,0.00769199],[-0.0288653,-0.0317985,0.0280333,0.00935494],[-0.021245,-0.024406,0.0020148,0.006373]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.88
S298 (cal/mol*K) = -50.73
G298 (kcal/mol) = -20.76

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(498); C5H6(62), C7H10(498); C2H4(115)+C5H6(62)(+M)=>C7H10(498)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.185e+00 -1.332e+00 -8.140e-02 1.128e-02 / CHEB/ 4.342e+00 8.515e-01 -1.843e-01 -6.964e-02 / CHEB/ 7.687e-01 2.765e-01 5.334e-02 -1.586e-02 / CHEB/ 2.731e-02 1.955e-02 5.900e-02 7.692e-03 / CHEB/ -2.887e-02 -3.180e-02 2.803e-02 9.355e-03 / CHEB/ -2.125e-02 -2.441e-02 2.015e-03 6.373e-03 /

4843.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.1	-4.1	-2.5	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-9.0	-4.6	-2.8	-2.0

Chebyshev(coeffs=[[-1.10932,-1.33378,-0.0814159,0.0114141],[4.39202,0.850023,-0.184673,-0.06962],[0.786208,0.276372,0.0529087,-0.0159681],[0.0125089,0.0202963,0.0587888,0.00758519],[-0.051256,-0.0310598,0.0280336,0.00925466],[-0.0279994,-0.024249,0.00214111,0.00633994]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.13
S298 (cal/mol*K) = -50.73
G298 (kcal/mol) = -21.01

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(810); C5H6(62), C7H10(810); C2H4(115)+C5H6(62)(+M)=>C7H10(810)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.109e+00 -1.334e+00 -8.142e-02 1.141e-02 / CHEB/ 4.392e+00 8.500e-01 -1.847e-01 -6.962e-02 / CHEB/ 7.862e-01 2.764e-01 5.291e-02 -1.597e-02 / CHEB/ 1.251e-02 2.030e-02 5.879e-02 7.585e-03 / CHEB/ -5.126e-02 -3.106e-02 2.803e-02 9.255e-03 / CHEB/ -2.800e-02 -2.425e-02 2.141e-03 6.340e-03 /

4844.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	-3.2	-1.6	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-8.4	-3.7	-1.8	-1.0

Chebyshev(coeffs=[[-0.418853,-1.31047,-0.0853054,0.00822413],[4.63308,0.859796,-0.178264,-0.0682704],[0.845736,0.269475,0.060267,-0.0137125],[0.0128887,0.0113754,0.0601288,0.00787691],[-0.0596388,-0.0355019,0.0260543,0.00994674],[-0.0285496,-0.023537,0.00015617,0.00691902]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.33
S298 (cal/mol*K) = -40.11
G298 (kcal/mol) = -18.38

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(317); C5H6(62), C7H10(317); C2H4(115)+C5H6(62)(+M)=>C7H10(317)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.189e-01 -1.310e+00 -8.531e-02 8.224e-03 / CHEB/ 4.633e+00 8.598e-01 -1.783e-01 -6.827e-02 / CHEB/ 8.457e-01 2.695e-01 6.027e-02 -1.371e-02 / CHEB/ 1.289e-02 1.138e-02 6.013e-02 7.877e-03 / CHEB/ -5.964e-02 -3.550e-02 2.605e-02 9.947e-03 / CHEB/ -2.855e-02 -2.354e-02 1.562e-04 6.919e-03 /

4845.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-4.8	-3.2	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-5.3	-3.4	-2.6

Chebyshev(coeffs=[[-1.87854,-1.32459,-0.0827569,0.0102048],[4.48566,0.854767,-0.182268,-0.0692234],[0.861287,0.273801,0.0559275,-0.0150335],[0.0298331,0.0166371,0.0594833,0.00776611],[-0.07586,-0.032885,0.0272589,0.00949378],[-0.0199496,-0.0240974,0.00134334,0.00658603]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.13
S298 (cal/mol*K) = -50.73
G298 (kcal/mol) = -21.01

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(495); C5H6(62), C7H10(495); C2H4(115)+C5H6(62)(+M)=>C7H10(495)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.879e+00 -1.325e+00 -8.276e-02 1.020e-02 / CHEB/ 4.486e+00 8.548e-01 -1.823e-01 -6.922e-02 / CHEB/ 8.613e-01 2.738e-01 5.593e-02 -1.503e-02 / CHEB/ 2.983e-02 1.664e-02 5.948e-02 7.766e-03 / CHEB/ -7.586e-02 -3.288e-02 2.726e-02 9.494e-03 / CHEB/ -1.995e-02 -2.410e-02 1.343e-03 6.586e-03 /

4846.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.0	-4.8	-3.2	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-5.3	-3.4	-2.6

H298 (kcal/mol) = -36.13
S298 (cal/mol*K) = -52.10
G298 (kcal/mol) = -20.60

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(811); C5H6(62), C7H10(811); C2H4(115)+C5H6(62)(+M)=>C7H10(811)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.879e+00 -1.325e+00 -8.276e-02 1.020e-02 / CHEB/ 4.486e+00 8.548e-01 -1.823e-01 -6.922e-02 / CHEB/ 8.613e-01 2.738e-01 5.593e-02 -1.503e-02 / CHEB/ 2.983e-02 1.664e-02 5.948e-02 7.766e-03 / CHEB/ -7.586e-02 -3.288e-02 2.726e-02 9.494e-03 / CHEB/ -1.995e-02 -2.410e-02 1.343e-03 6.586e-03 /

4847.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	-2.8	-1.3	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-7.8	-3.3	-1.6	-0.8

Chebyshev(coeffs=[[0.150166,-1.31745,-0.0841726,0.00915771],[4.33383,0.856902,-0.180294,-0.068717],[0.781287,0.271451,0.0580613,-0.0143656],[-0.0015621,0.0139709,0.0597607,0.00777962],[-0.0641347,-0.0342237,0.026661,0.00971301],[-0.0296765,-0.0237875,0.000745399,0.00675817]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -32.98
S298 (cal/mol*K) = -39.39
G298 (kcal/mol) = -21.24

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(738); C5H6(62), C7H10(738); C2H4(115)+C5H6(62)(+M)=>C7H10(738)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.502e-01 -1.317e+00 -8.417e-02 9.158e-03 / CHEB/ 4.334e+00 8.569e-01 -1.803e-01 -6.872e-02 / CHEB/ 7.813e-01 2.715e-01 5.806e-02 -1.437e-02 / CHEB/ -1.562e-03 1.397e-02 5.976e-02 7.780e-03 / CHEB/ -6.413e-02 -3.422e-02 2.666e-02 9.713e-03 / CHEB/ -2.968e-02 -2.379e-02 7.454e-04 6.758e-03 /

4848.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.5	-1.7	-0.4	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-2.2	-0.6	+0.0

Chebyshev(coeffs=[[1.38445,-1.33357,-0.0817735,0.0112919],[4.03678,0.849162,-0.184767,-0.0695548],[0.713879,0.275598,0.0529016,-0.0159234],[-0.0112894,0.0200346,0.0586591,0.00750752],[-0.066331,-0.0309843,0.0279166,0.00921366],[-0.0294418,-0.0241252,0.0021279,0.00635476]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.18
S298 (cal/mol*K) = -39.05
G298 (kcal/mol) = -23.54

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), S(1004); C5H6(62), S(1004); C2H4(115)+C5H6(62)(+M)=>S(1004)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.384e+00 -1.334e+00 -8.177e-02 1.129e-02 / CHEB/ 4.037e+00 8.492e-01 -1.848e-01 -6.955e-02 / CHEB/ 7.139e-01 2.756e-01 5.290e-02 -1.592e-02 / CHEB/ -1.129e-02 2.003e-02 5.866e-02 7.508e-03 / CHEB/ -6.633e-02 -3.098e-02 2.792e-02 9.214e-03 / CHEB/ -2.944e-02 -2.413e-02 2.128e-03 6.355e-03 /

4849.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-4.4	-1.9	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-11.7	-4.7	-2.1	-0.9

Chebyshev(coeffs=[[-3.54099,-1.14259,-0.134957,-0.0140696],[7.73494,0.846262,-0.101624,-0.0466392],[0.999136,0.21997,0.0946293,-0.00915206],[0.044914,-0.0358714,0.0539788,0.012424],[-0.0516813,-0.0437365,0.00859762,0.0160402],[-0.0407504,-0.00972306,-0.0083408,0.00575292]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.82
S298 (cal/mol*K) = -14.95
G298 (kcal/mol) = 14.27

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(484); C2H4(115), CH2(137); C2H4(115)+C5H6(62)(+M)=>CH2(137)+C6H8(484)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.541e+00 -1.143e+00 -1.350e-01 -1.407e-02 / CHEB/ 7.735e+00 8.463e-01 -1.016e-01 -4.664e-02 / CHEB/ 9.991e-01 2.200e-01 9.463e-02 -9.152e-03 / CHEB/ 4.491e-02 -3.587e-02 5.398e-02 1.242e-02 / CHEB/ -5.168e-02 -4.374e-02 8.598e-03 1.604e-02 / CHEB/ -4.075e-02 -9.723e-03 -8.341e-03 5.753e-03 /

4850.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+3.7	+4.5	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+0.1	+3.1	+4.2	+4.5

Chebyshev(coeffs=[[7.54271,-1.42472,-0.0719638,0.023248],[2.81507,0.782079,-0.204874,-0.0693976],[0.336504,0.284094,0.0243099,-0.0241618],[-0.0803467,0.0515156,0.0470724,0.00507002],[-0.0770095,-0.00733756,0.030182,0.00720245],[-0.0274385,-0.0186654,0.00880597,0.00368812]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -101.17
S298 (cal/mol*K) = -51.22
G298 (kcal/mol) = -85.91

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(482); C5H6(62), C7H10(482); C2H4(115)+C5H6(62)(+M)=>C7H10(482)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.543e+00 -1.425e+00 -7.196e-02 2.325e-02 / CHEB/ 2.815e+00 7.821e-01 -2.049e-01 -6.940e-02 / CHEB/ 3.365e-01 2.841e-01 2.431e-02 -2.416e-02 / CHEB/ -8.035e-02 5.152e-02 4.707e-02 5.070e-03 / CHEB/ -7.701e-02 -7.338e-03 3.018e-02 7.202e-03 / CHEB/ -2.744e-02 -1.867e-02 8.806e-03 3.688e-03 /

4851.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-4.5	-1.6	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-4.9	-1.7	-0.1

Chebyshev(coeffs=[[-4.62595,-1.08682,-0.158057,-0.016462],[9.35089,0.825798,-0.0646782,-0.044722],[1.08912,0.202836,0.0985564,-0.00726293],[0.111888,-0.044788,0.0483986,0.0157761],[-0.0363137,-0.0407403,0.00338783,0.0160986],[-0.0358356,-0.00551029,-0.00896285,0.00399224]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.73
S298 (cal/mol*K) = -29.40
G298 (kcal/mol) = 22.49

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), S(1005); C5H6(62), S(1005); C2H4(115)+C5H6(62)(+M)=>S(1005)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.626e+00 -1.087e+00 -1.581e-01 -1.646e-02 / CHEB/ 9.351e+00 8.258e-01 -6.468e-02 -4.472e-02 / CHEB/ 1.089e+00 2.028e-01 9.856e-02 -7.263e-03 / CHEB/ 1.119e-01 -4.479e-02 4.840e-02 1.578e-02 / CHEB/ -3.631e-02 -4.074e-02 3.388e-03 1.610e-02 / CHEB/ -3.584e-02 -5.510e-03 -8.963e-03 3.992e-03 /

4852.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.9	-2.9	-0.5	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-9.8	-3.3	-0.6	+0.6

Chebyshev(coeffs=[[-1.46912,-1.2077,-0.108724,-0.00584595],[6.92444,0.872845,-0.139393,-0.0564122],[1.15809,0.237478,0.0878865,-0.00786042],[0.0615111,-0.0217659,0.0590989,0.00949578],[-0.0403727,-0.0457233,0.0150795,0.0143539],[-0.0327938,-0.0155352,-0.00673669,0.00735623]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.10
S298 (cal/mol*K) = -31.47
G298 (kcal/mol) = 6.28

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(706); C5H6(62), C7H10(706); C2H4(115)+C5H6(62)(+M)=>C7H10(706)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.469e+00 -1.208e+00 -1.087e-01 -5.846e-03 / CHEB/ 6.924e+00 8.728e-01 -1.394e-01 -5.641e-02 / CHEB/ 1.158e+00 2.375e-01 8.789e-02 -7.860e-03 / CHEB/ 6.151e-02 -2.177e-02 5.910e-02 9.496e-03 / CHEB/ -4.037e-02 -4.572e-02 1.508e-02 1.435e-02 / CHEB/ -3.279e-02 -1.554e-02 -6.737e-03 7.356e-03 /

4853.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.9	+1.9	+3.9	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-3.9	+1.5	+3.7	+4.7

Chebyshev(coeffs=[[4.30843,-1.28193,-0.088134,0.00507299],[5.38146,0.876356,-0.168835,-0.0664967],[1.03644,0.263904,0.0698876,-0.0110332],[0.0605766,0.00103479,0.0620537,0.00886237],[-0.0445661,-0.0409045,0.0235521,0.011162],[-0.0258581,-0.0226199,-0.00239151,0.00738989]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.59
S298 (cal/mol*K) = -31.93
G298 (kcal/mol) = -15.07

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), S(1006); C5H6(62), S(1006); C2H4(115)+C5H6(62)(+M)=>S(1006)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.308e+00 -1.282e+00 -8.813e-02 5.073e-03 / CHEB/ 5.381e+00 8.764e-01 -1.688e-01 -6.650e-02 / CHEB/ 1.036e+00 2.639e-01 6.989e-02 -1.103e-02 / CHEB/ 6.058e-02 1.035e-03 6.205e-02 8.862e-03 / CHEB/ -4.457e-02 -4.090e-02 2.355e-02 1.116e-02 / CHEB/ -2.586e-02 -2.262e-02 -2.392e-03 7.390e-03 /

4854.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.0	+1.9	+3.9	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-3.9	+1.4	+3.7	+4.7

Chebyshev(coeffs=[[4.26799,-1.28105,-0.0882922,0.00495735],[5.39942,0.876631,-0.168543,-0.0664178],[1.03979,0.263614,0.0701617,-0.010957],[0.0610218,0.000708774,0.0620704,0.00887586],[-0.0444242,-0.0410333,0.0234558,0.0111975],[-0.0258837,-0.0225595,-0.00246396,0.00740229]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.34
S298 (cal/mol*K) = -31.93
G298 (kcal/mol) = -14.82

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), S(1007); C5H6(62), S(1007); C2H4(115)+C5H6(62)(+M)=>S(1007)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.268e+00 -1.281e+00 -8.829e-02 4.957e-03 / CHEB/ 5.399e+00 8.766e-01 -1.685e-01 -6.642e-02 / CHEB/ 1.040e+00 2.636e-01 7.016e-02 -1.096e-02 / CHEB/ 6.102e-02 7.088e-04 6.207e-02 8.876e-03 / CHEB/ -4.442e-02 -4.103e-02 2.346e-02 1.120e-02 / CHEB/ -2.588e-02 -2.256e-02 -2.464e-03 7.402e-03 /

4855.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	-0.0	+1.9	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-5.7	-0.5	+1.7	+2.7

Chebyshev(coeffs=[[2.41276,-1.28624,-0.0881322,0.00540654],[5.29813,0.872626,-0.170412,-0.0667048],[1.00603,0.264203,0.0682844,-0.0114739],[0.0509734,0.00260891,0.0616147,0.00858269],[-0.0476376,-0.0399623,0.0239111,0.0109426],[-0.0263804,-0.0226858,-0.00196206,0.0073465]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.59
S298 (cal/mol*K) = -31.93
G298 (kcal/mol) = -15.07

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), S(1008); C5H6(62), S(1008); C2H4(115)+C5H6(62)(+M)=>S(1008)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.413e+00 -1.286e+00 -8.813e-02 5.407e-03 / CHEB/ 5.298e+00 8.726e-01 -1.704e-01 -6.670e-02 / CHEB/ 1.006e+00 2.642e-01 6.828e-02 -1.147e-02 / CHEB/ 5.097e-02 2.609e-03 6.161e-02 8.583e-03 / CHEB/ -4.764e-02 -3.996e-02 2.391e-02 1.094e-02 / CHEB/ -2.638e-02 -2.269e-02 -1.962e-03 7.347e-03 /

4856.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.9	-0.1	+1.9	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-5.8	-0.5	+1.7	+2.7

Chebyshev(coeffs=[[2.3731,-1.28538,-0.088294,0.00529118],[5.31658,0.87287,-0.17013,-0.0666261],[1.00948,0.263919,0.068553,-0.0113996],[0.0511462,0.00231101,0.0616311,0.00859141],[-0.0478182,-0.0400685,0.0238173,0.0109748],[-0.0264707,-0.0226257,-0.00203149,0.00736027]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.34
S298 (cal/mol*K) = -31.93
G298 (kcal/mol) = -14.82

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), S(1009); C5H6(62), S(1009); C2H4(115)+C5H6(62)(+M)=>S(1009)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.373e+00 -1.285e+00 -8.829e-02 5.291e-03 / CHEB/ 5.317e+00 8.729e-01 -1.701e-01 -6.663e-02 / CHEB/ 1.009e+00 2.639e-01 6.855e-02 -1.140e-02 / CHEB/ 5.115e-02 2.311e-03 6.163e-02 8.591e-03 / CHEB/ -4.782e-02 -4.007e-02 2.382e-02 1.097e-02 / CHEB/ -2.647e-02 -2.263e-02 -2.031e-03 7.360e-03 /

4857.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.8	+1.2	+2.2	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-2.7	+0.7	+1.8	+2.2

Chebyshev(coeffs=[[4.86587,-1.4059,-0.0738246,0.0207041],[3.13673,0.79832,-0.201571,-0.0700758],[0.434828,0.284255,0.0298738,-0.0226712],[-0.0626166,0.0456095,0.0499823,0.0056144],[-0.0752082,-0.0127569,0.0303872,0.00750728],[-0.0286873,-0.0208135,0.00773715,0.00425984]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -94.89
S298 (cal/mol*K) = -53.34
G298 (kcal/mol) = -79.00

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), S(1010); C5H6(62), S(1010); C2H4(115)+C5H6(62)(+M)=>S(1010)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.866e+00 -1.406e+00 -7.382e-02 2.070e-02 / CHEB/ 3.137e+00 7.983e-01 -2.016e-01 -7.008e-02 / CHEB/ 4.348e-01 2.843e-01 2.987e-02 -2.267e-02 / CHEB/ -6.262e-02 4.561e-02 4.998e-02 5.614e-03 / CHEB/ -7.521e-02 -1.276e-02 3.039e-02 7.507e-03 / CHEB/ -2.869e-02 -2.081e-02 7.737e-03 4.260e-03 /

4860.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.7	-1.6	-0.0	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-9.1	-2.1	-0.2	+0.5

Chebyshev(coeffs=[[-1.35849,-1.72869,-0.350477,0.00268074],[7.92497,1.30206,0.0510405,-0.0882237],[0.247983,0.330443,0.149782,0.00695053],[-0.231177,-0.0592682,0.0435796,0.0221597],[-0.0986892,-0.068496,-0.011789,0.00804579],[-0.00316984,-0.0102884,-0.0110979,-0.000992303]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.91
S298 (cal/mol*K) = -2.55
G298 (kcal/mol) = 16.67

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H7(669); C2H4(115), CH3(425); C2H4(115)+C5H6(62)(+M)=>CH3(425)+C6H7(669)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.358e+00 -1.729e+00 -3.505e-01 2.681e-03 / CHEB/ 7.925e+00 1.302e+00 5.104e-02 -8.822e-02 / CHEB/ 2.480e-01 3.304e-01 1.498e-01 6.951e-03 / CHEB/ -2.312e-01 -5.927e-02 4.358e-02 2.216e-02 / CHEB/ -9.869e-02 -6.850e-02 -1.179e-02 8.046e-03 / CHEB/ -3.170e-03 -1.029e-02 -1.110e-02 -9.923e-04 /

4861.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.1	-5.9	-3.8	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-14.4	-6.3	-3.9	-2.9

Chebyshev(coeffs=[[-6.64701,-1.64298,-0.37673,-0.00106138],[9.67623,1.29754,0.106111,-0.0883027],[0.27701,0.283378,0.146298,0.0137276],[-0.167316,-0.0803282,0.0305025,0.0236735],[-0.0681829,-0.0656781,-0.0167047,0.00629607],[1.56645e-05,-0.00381118,-0.00943671,-0.00181899]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.05
S298 (cal/mol*K) = -12.50
G298 (kcal/mol) = 26.77

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(670); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(670)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.647e+00 -1.643e+00 -3.767e-01 -1.061e-03 / CHEB/ 9.676e+00 1.298e+00 1.061e-01 -8.830e-02 / CHEB/ 2.770e-01 2.834e-01 1.463e-01 1.373e-02 / CHEB/ -1.673e-01 -8.033e-02 3.050e-02 2.367e-02 / CHEB/ -6.818e-02 -6.568e-02 -1.670e-02 6.296e-03 / CHEB/ 1.566e-05 -3.811e-03 -9.437e-03 -1.819e-03 /

4862.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-3.6	-1.3	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-3.9	-1.5	-0.4

Chebyshev(coeffs=[[-5.25302,-1.46708,-0.414302,-0.0132225],[11.0525,1.22734,0.194425,-0.0792203],[0.0204571,0.207038,0.130295,0.0253203],[-0.167553,-0.101095,0.00792111,0.0229527],[-0.0595571,-0.0519123,-0.0199077,0.00222166],[-0.011915,0.00682587,-0.00443812,-0.0024222]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.20
S298 (cal/mol*K) = 3.51
G298 (kcal/mol) = 30.15

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C4H5(99); C2H4(115), C3H5(597); C2H4(115)+C5H6(62)(+M)=>C3H5(597)+C4H5(99)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.253e+00 -1.467e+00 -4.143e-01 -1.322e-02 / CHEB/ 1.105e+01 1.227e+00 1.944e-01 -7.922e-02 / CHEB/ 2.046e-02 2.070e-01 1.303e-01 2.532e-02 / CHEB/ -1.676e-01 -1.011e-01 7.921e-03 2.295e-02 / CHEB/ -5.956e-02 -5.191e-02 -1.991e-02 2.222e-03 / CHEB/ -1.192e-02 6.826e-03 -4.438e-03 -2.422e-03 /

4863.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.4	-3.6	-1.3	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-3.9	-1.5	-0.4

Chebyshev(coeffs=[[-5.25305,-1.46708,-0.414301,-0.0132222],[11.0524,1.22734,0.194423,-0.0792207],[0.0204626,0.207039,0.130296,0.0253201],[-0.167552,-0.101094,0.00792148,0.0229527],[-0.059557,-0.0519126,-0.0199077,0.00222174],[-0.0119147,0.00682572,-0.00443822,-0.00242221]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.20
S298 (cal/mol*K) = 3.51
G298 (kcal/mol) = 30.15

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H7(602); C2H4(115), C2H3(100); C2H4(115)+C5H6(62)(+M)=>C2H3(100)+C5H7(602)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.253e+00 -1.467e+00 -4.143e-01 -1.322e-02 / CHEB/ 1.105e+01 1.227e+00 1.944e-01 -7.922e-02 / CHEB/ 2.046e-02 2.070e-01 1.303e-01 2.532e-02 / CHEB/ -1.676e-01 -1.011e-01 7.921e-03 2.295e-02 / CHEB/ -5.956e-02 -5.191e-02 -1.991e-02 2.222e-03 / CHEB/ -1.191e-02 6.826e-03 -4.438e-03 -2.422e-03 /

4864.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-5.3	-3.0	-2.0
log₁₀(k(10 bar)/[mole,m,s])	-14.1	-5.7	-3.2	-2.1

Chebyshev(coeffs=[[-6.36915,-1.60899,-0.385634,-0.00277776],[10.219,1.28867,0.125539,-0.0877228],[0.27475,0.267085,0.143918,0.0163276],[-0.150137,-0.0863245,0.0257039,0.0238872],[-0.0598717,-0.0636384,-0.0179237,0.00550629],[-0.000109648,-0.00141332,-0.00856768,-0.00205065]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.25
S298 (cal/mol*K) = -12.92
G298 (kcal/mol) = 29.10

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(675); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(675)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.369e+00 -1.609e+00 -3.856e-01 -2.778e-03 / CHEB/ 1.022e+01 1.289e+00 1.255e-01 -8.772e-02 / CHEB/ 2.747e-01 2.671e-01 1.439e-01 1.633e-02 / CHEB/ -1.501e-01 -8.632e-02 2.570e-02 2.389e-02 / CHEB/ -5.987e-02 -6.364e-02 -1.792e-02 5.506e-03 / CHEB/ -1.096e-04 -1.413e-03 -8.568e-03 -2.051e-03 /

4865.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	+0.2	+0.7	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-4.9	-0.7	+0.3	+0.3

Chebyshev(coeffs=[[2.93707,-1.94533,-0.283097,0.0287895],[3.68105,1.07874,-0.100858,-0.0958964],[0.258311,0.444971,0.115525,-0.00858012],[-0.299094,0.0629622,0.0717473,0.01778],[-0.182158,-0.0279794,0.0175132,0.0071518],[-0.0392656,-0.0129134,-0.00448047,-0.0017019]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -24.18
S298 (cal/mol*K) = -32.11
G298 (kcal/mol) = -14.61

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(677); C5H6(62), C7H10(677); C2H4(115)+C5H6(62)(+M)=>C7H10(677)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.937e+00 -1.945e+00 -2.831e-01 2.879e-02 / CHEB/ 3.681e+00 1.079e+00 -1.009e-01 -9.590e-02 / CHEB/ 2.583e-01 4.450e-01 1.155e-01 -8.580e-03 / CHEB/ -2.991e-01 6.296e-02 7.175e-02 1.778e-02 / CHEB/ -1.822e-01 -2.798e-02 1.751e-02 7.152e-03 / CHEB/ -3.927e-02 -1.291e-02 -4.480e-03 -1.702e-03 /

4866.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+3.1	+4.3	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+2.4	+4.0	+4.5

Chebyshev(coeffs=[[4.43262,-1.84704,-0.30495,0.0150666],[6.03096,1.21895,-0.0432065,-0.0943907],[0.496713,0.416399,0.142437,3.00173e-05],[-0.287536,-0.00246441,0.0631511,0.0184339],[-0.162746,-0.0589497,0.0025646,0.00801294],[-0.0246047,-0.0175331,-0.0101876,2.68456e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.15
S298 (cal/mol*K) = -12.20
G298 (kcal/mol) = 0.48

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(678); C5H6(62), C7H10(678); C2H4(115)+C5H6(62)(+M)=>C7H10(678)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.433e+00 -1.847e+00 -3.049e-01 1.507e-02 / CHEB/ 6.031e+00 1.219e+00 -4.321e-02 -9.439e-02 / CHEB/ 4.967e-01 4.164e-01 1.424e-01 3.002e-05 / CHEB/ -2.875e-01 -2.464e-03 6.315e-02 1.843e-02 / CHEB/ -1.627e-01 -5.895e-02 2.565e-03 8.013e-03 / CHEB/ -2.460e-02 -1.753e-02 -1.019e-02 2.685e-05 /

4867.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+3.1	+4.3	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+2.4	+4.0	+4.5

H298 (kcal/mol) = -3.15
S298 (cal/mol*K) = -12.20
G298 (kcal/mol) = 0.48

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(679); C5H6(62), C7H10(679); C2H4(115)+C5H6(62)(+M)=>C7H10(679)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.433e+00 -1.847e+00 -3.049e-01 1.507e-02 / CHEB/ 6.031e+00 1.219e+00 -4.321e-02 -9.439e-02 / CHEB/ 4.967e-01 4.164e-01 1.424e-01 3.002e-05 / CHEB/ -2.875e-01 -2.464e-03 6.315e-02 1.843e-02 / CHEB/ -1.627e-01 -5.895e-02 2.565e-03 8.013e-03 / CHEB/ -2.460e-02 -1.753e-02 -1.019e-02 2.685e-05 /

4868.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	-1.2	-0.9	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-5.8	-2.1	-1.4	-1.5

Chebyshev(coeffs=[[1.84162,-1.95223,-0.28228,0.0296395],[3.15429,1.06833,-0.103731,-0.0955982],[0.147971,0.444484,0.113414,-0.00915632],[-0.327356,0.0668352,0.0718697,0.0176947],[-0.193051,-0.0251678,0.0183926,0.00717314],[-0.0443837,-0.0120193,-0.00399828,-0.00183866]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -27.12
S298 (cal/mol*K) = -32.94
G298 (kcal/mol) = -17.31

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(680); C5H6(62), C7H10(680); C2H4(115)+C5H6(62)(+M)=>C7H10(680)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.842e+00 -1.952e+00 -2.823e-01 2.964e-02 / CHEB/ 3.154e+00 1.068e+00 -1.037e-01 -9.560e-02 / CHEB/ 1.480e-01 4.445e-01 1.134e-01 -9.156e-03 / CHEB/ -3.274e-01 6.684e-02 7.187e-02 1.769e-02 / CHEB/ -1.931e-01 -2.517e-02 1.839e-02 7.173e-03 / CHEB/ -4.438e-02 -1.202e-02 -3.998e-03 -1.839e-03 /

4869.

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PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	-1.9	-0.7	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-8.2	-2.6	-1.0	-0.6

Chebyshev(coeffs=[[-0.235803,-1.85678,-0.302187,0.0164401],[5.63798,1.20639,-0.0502481,-0.0950548],[0.447964,0.421756,0.140185,-0.000714699],[-0.270992,0.00350773,0.0643782,0.0182996],[-0.14045,-0.0575503,0.00408137,0.00790782],[-0.0134008,-0.0179049,-0.00974556,3.11804e-06]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.44
S298 (cal/mol*K) = -35.02
G298 (kcal/mol) = 5.99

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(681); C5H6(62), C7H10(681); C2H4(115)+C5H6(62)(+M)=>C7H10(681)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.358e-01 -1.857e+00 -3.022e-01 1.644e-02 / CHEB/ 5.638e+00 1.206e+00 -5.025e-02 -9.505e-02 / CHEB/ 4.480e-01 4.218e-01 1.402e-01 -7.147e-04 / CHEB/ -2.710e-01 3.508e-03 6.438e-02 1.830e-02 / CHEB/ -1.404e-01 -5.755e-02 4.081e-03 7.908e-03 / CHEB/ -1.340e-02 -1.790e-02 -9.746e-03 3.118e-06 /

4870.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.9	+3.1	+3.8	+4.2
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+2.9	+3.7	+4.2

Chebyshev(coeffs=[[8.11815,-0.414203,-0.247666,-0.10263],[1.46946,0.238107,0.134539,0.0481219],[0.490522,0.0885649,0.0531118,0.0220758],[0.122544,0.0561033,0.0328843,0.0130403],[-0.00436174,-0.00328134,0.000807617,0.00295999],[-0.0227521,-0.0172691,-0.00867017,-0.00200383]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -31.60
S298 (cal/mol*K) = -9.40
G298 (kcal/mol) = -28.80

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H7(158); C2H4(72), C2H4(115); C5H7(210)+C2H4(72)(+M)=>C2H4(115)+C5H7(158)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.118e+00 -4.142e-01 -2.477e-01 -1.026e-01 / CHEB/ 1.469e+00 2.381e-01 1.345e-01 4.812e-02 / CHEB/ 4.905e-01 8.856e-02 5.311e-02 2.208e-02 / CHEB/ 1.225e-01 5.610e-02 3.288e-02 1.304e-02 / CHEB/ -4.362e-03 -3.281e-03 8.076e-04 2.960e-03 / CHEB/ -2.275e-02 -1.727e-02 -8.670e-03 -2.004e-03 /

4871.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+2.7	+3.0	+3.1
log₁₀(k(10 bar)/[mole,m,s])	+2.0	+2.5	+2.9	+3.0

Chebyshev(coeffs=[[8.23474,-0.442823,-0.262715,-0.106945],[0.54566,0.233409,0.131125,0.0461218],[0.204011,0.103502,0.0603088,0.0234487],[0.0703016,0.0668209,0.038088,0.0141028],[-0.001747,-0.000939944,0.00229093,0.00364166],[-0.0188836,-0.0189088,-0.00903341,-0.00160537]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -63.88
S298 (cal/mol*K) = -50.56
G298 (kcal/mol) = -48.82

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(641); C2H4(72), C7H11(641); C5H7(210)+C2H4(72)(+M)=>C7H11(641)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 8.235e+00 -4.428e-01 -2.627e-01 -1.069e-01 / CHEB/ 5.457e-01 2.334e-01 1.311e-01 4.612e-02 / CHEB/ 2.040e-01 1.035e-01 6.031e-02 2.345e-02 / CHEB/ 7.030e-02 6.682e-02 3.809e-02 1.410e-02 / CHEB/ -1.747e-03 -9.399e-04 2.291e-03 3.642e-03 / CHEB/ -1.888e-02 -1.891e-02 -9.033e-03 -1.605e-03 /

4872.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-1.8	+0.8	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-8.8	-1.9	+0.8	+2.1

Chebyshev(coeffs=[[-1.80244,-0.181488,-0.118085,-0.0582174],[9.33289,0.0779645,0.0494682,0.0232069],[0.494598,0.0516676,0.0326378,0.0151572],[0.127981,0.0333253,0.0215363,0.010479],[-0.00558731,-0.00189976,-0.000247987,0.000798678],[-0.0238001,-0.00969668,-0.00573064,-0.00228305]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.56
S298 (cal/mol*K) = -6.18
G298 (kcal/mol) = 27.40

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H5(156); C2H4(72), C3H6(231); C5H7(210)+C2H4(72)(+M)=>C3H6(231)+C4H5(156)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.802e+00 -1.815e-01 -1.181e-01 -5.822e-02 / CHEB/ 9.333e+00 7.796e-02 4.947e-02 2.321e-02 / CHEB/ 4.946e-01 5.167e-02 3.264e-02 1.516e-02 / CHEB/ 1.280e-01 3.333e-02 2.154e-02 1.048e-02 / CHEB/ -5.587e-03 -1.900e-03 -2.480e-04 7.987e-04 / CHEB/ -2.380e-02 -9.697e-03 -5.731e-03 -2.283e-03 /

4873.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.9	-5.0	-1.8	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-13.1	-5.1	-1.9	-0.1

Chebyshev(coeffs=[[-5.84021,-0.172479,-0.11257,-0.0558206],[10.8373,0.0716222,0.0456231,0.0215716],[0.666498,0.0501711,0.0317933,0.014861],[0.183615,0.0324658,0.021039,0.0102912],[0.0145573,-0.00171942,-0.000200536,0.000758947],[-0.0165745,-0.00936972,-0.00556645,-0.00224652]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.42
S298 (cal/mol*K) = -19.60
G298 (kcal/mol) = 35.26

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(169); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(169)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.840e+00 -1.725e-01 -1.126e-01 -5.582e-02 / CHEB/ 1.084e+01 7.162e-02 4.562e-02 2.157e-02 / CHEB/ 6.665e-01 5.017e-02 3.179e-02 1.486e-02 / CHEB/ 1.836e-01 3.247e-02 2.104e-02 1.029e-02 / CHEB/ 1.456e-02 -1.719e-03 -2.005e-04 7.589e-04 / CHEB/ -1.657e-02 -9.370e-03 -5.566e-03 -2.247e-03 /

4874.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-2.4	+0.7	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-2.5	+0.7	+2.3

Chebyshev(coeffs=[[-3.77774,-0.154646,-0.101554,-0.0509356],[11.5173,0.0597445,0.0383516,0.0184105],[0.460088,0.0467866,0.0298538,0.0141502],[0.131946,0.0305501,0.0199099,0.0098434],[0.00123641,-0.00135064,-9.66175e-05,0.000686585],[-0.0207859,-0.00866618,-0.00520482,-0.00215659]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 33.47
S298 (cal/mol*K) = 0.04
G298 (kcal/mol) = 33.46

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H7(158); C2H4(72), C2H4(72); C5H7(210)+C2H4(72)(+M)=>C2H4(72)+C5H7(158)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.778e+00 -1.546e-01 -1.016e-01 -5.094e-02 / CHEB/ 1.152e+01 5.974e-02 3.835e-02 1.841e-02 / CHEB/ 4.601e-01 4.679e-02 2.985e-02 1.415e-02 / CHEB/ 1.319e-01 3.055e-02 1.991e-02 9.843e-03 / CHEB/ 1.236e-03 -1.351e-03 -9.662e-05 6.866e-04 / CHEB/ -2.079e-02 -8.666e-03 -5.205e-03 -2.157e-03 /

4875.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.4	-6.7	-2.8	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-17.5	-6.8	-2.8	-0.7

Chebyshev(coeffs=[[-10.2172,-0.125764,-0.083437,-0.0426382],[14.8563,0.0425367,0.0276595,0.0136103],[0.47797,0.0401743,0.0259594,0.0126146],[0.148844,0.0267695,0.0176178,0.00887041],[0.0137676,-0.000779397,6.34213e-05,0.000571123],[-0.0148902,-0.00736498,-0.00451012,-0.00195491]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.47
S298 (cal/mol*K) = -11.47
G298 (kcal/mol) = 47.88

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(58); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(58)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.022e+01 -1.258e-01 -8.344e-02 -4.264e-02 / CHEB/ 1.486e+01 4.254e-02 2.766e-02 1.361e-02 / CHEB/ 4.780e-01 4.017e-02 2.596e-02 1.261e-02 / CHEB/ 1.488e-01 2.677e-02 1.762e-02 8.870e-03 / CHEB/ 1.377e-02 -7.794e-04 6.342e-05 5.711e-04 / CHEB/ -1.489e-02 -7.365e-03 -4.510e-03 -1.955e-03 /

4876.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.4	-6.8	-3.1	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-16.4	-6.9	-3.1	-1.1

Chebyshev(coeffs=[[-9.1989,-0.141524,-0.093356,-0.0472122],[13.305,0.0524873,0.0338827,0.0164429],[0.570042,0.0438454,0.02814,0.0134931],[0.188355,0.02868,0.0187811,0.00936926],[0.0399938,-0.00128865,-0.000150456,0.000574036],[-0.0080012,-0.00812962,-0.00492905,-0.00208844]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.22
S298 (cal/mol*K) = -19.72
G298 (kcal/mol) = 43.09

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(55); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(55)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.199e+00 -1.415e-01 -9.336e-02 -4.721e-02 / CHEB/ 1.331e+01 5.249e-02 3.388e-02 1.644e-02 / CHEB/ 5.700e-01 4.385e-02 2.814e-02 1.349e-02 / CHEB/ 1.884e-01 2.868e-02 1.878e-02 9.369e-03 / CHEB/ 3.999e-02 -1.289e-03 -1.505e-04 5.740e-04 / CHEB/ -8.001e-03 -8.130e-03 -4.929e-03 -2.088e-03 /

4877.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.8	-10.2	-5.4	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-23.8	-10.3	-5.4	-2.9

Chebyshev(coeffs=[[-16.3911,-0.0963465,-0.0646282,-0.0336842],[18.9885,0.0276239,0.0182317,0.00922391],[0.398073,0.0322162,0.0211168,0.0105465],[0.132205,0.0220046,0.0146424,0.00752204],[0.015681,-0.000315905,0.000164624,0.000434325],[-0.0118104,-0.00585743,-0.00366972,-0.00167233]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.52
S298 (cal/mol*K) = -14.10
G298 (kcal/mol) = 62.72

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(172); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(172)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.639e+01 -9.635e-02 -6.463e-02 -3.368e-02 / CHEB/ 1.899e+01 2.762e-02 1.823e-02 9.224e-03 / CHEB/ 3.981e-01 3.222e-02 2.112e-02 1.055e-02 / CHEB/ 1.322e-01 2.200e-02 1.464e-02 7.522e-03 / CHEB/ 1.568e-02 -3.159e-04 1.646e-04 4.343e-04 / CHEB/ -1.181e-02 -5.857e-03 -3.670e-03 -1.672e-03 /

4878.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.8	-10.2	-5.4	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-23.8	-10.3	-5.4	-2.9

H298 (kcal/mol) = 58.52
S298 (cal/mol*K) = -14.10
G298 (kcal/mol) = 62.72

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(177); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(177)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.639e+01 -9.635e-02 -6.463e-02 -3.368e-02 / CHEB/ 1.899e+01 2.762e-02 1.823e-02 9.224e-03 / CHEB/ 3.981e-01 3.222e-02 2.112e-02 1.055e-02 / CHEB/ 1.322e-01 2.200e-02 1.464e-02 7.522e-03 / CHEB/ 1.568e-02 -3.159e-04 1.646e-04 4.343e-04 / CHEB/ -1.181e-02 -5.857e-03 -3.670e-03 -1.672e-03 /

4879.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.3	-7.0	-2.6	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-7.0	-2.6	-0.3

Chebyshev(coeffs=[[-12.0524,-0.105726,-0.0706661,-0.0365972],[17.2687,0.0321011,0.0210809,0.010567],[0.370642,0.0348684,0.0227478,0.01126],[0.122539,0.0236225,0.0156619,0.00799292],[0.010133,-0.000447435,0.000140817,0.00048045],[-0.0146224,-0.00635532,-0.00395125,-0.00177116]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.51
S298 (cal/mol*K) = -6.11
G298 (kcal/mol) = 46.33

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(643); C2H4(72), CH2(T)(82); C5H7(210)+C2H4(72)(+M)=>CH2(T)(82)+C6H9(643)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.205e+01 -1.057e-01 -7.067e-02 -3.660e-02 / CHEB/ 1.727e+01 3.210e-02 2.108e-02 1.057e-02 / CHEB/ 3.706e-01 3.487e-02 2.275e-02 1.126e-02 / CHEB/ 1.225e-01 2.362e-02 1.566e-02 7.993e-03 / CHEB/ 1.013e-02 -4.474e-04 1.408e-04 4.804e-04 / CHEB/ -1.462e-02 -6.355e-03 -3.951e-03 -1.771e-03 /

4880.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.6	-10.4	-5.6	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-23.6	-10.4	-5.6	-3.1

Chebyshev(coeffs=[[-16.1504,-0.0999352,-0.0669354,-0.0347943],[18.4378,0.0302501,0.019924,0.0100419],[0.460687,0.0331764,0.0217132,0.0108133],[0.153124,0.0223934,0.0148866,0.00763398],[0.0255349,-0.000546996,3.75765e-05,0.000393631],[-0.00937481,-0.00608111,-0.00380263,-0.00172595]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 56.22
S298 (cal/mol*K) = -17.14
G298 (kcal/mol) = 61.32

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(644); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(644)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.615e+01 -9.994e-02 -6.694e-02 -3.479e-02 / CHEB/ 1.844e+01 3.025e-02 1.992e-02 1.004e-02 / CHEB/ 4.607e-01 3.318e-02 2.171e-02 1.081e-02 / CHEB/ 1.531e-01 2.239e-02 1.489e-02 7.634e-03 / CHEB/ 2.553e-02 -5.470e-04 3.758e-05 3.936e-04 / CHEB/ -9.375e-03 -6.081e-03 -3.803e-03 -1.726e-03 /

4907.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+1.0	+1.3	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-1.2	+0.4	+1.1	+1.3

Chebyshev(coeffs=[[5.46501,-1.46926,-0.603664,-0.125138],[1.59932,1.01771,0.283245,-0.0110718],[0.263084,0.170331,0.144458,0.0515283],[0.0376949,0.110275,0.0613517,0.0239341],[-0.0195941,0.04648,0.0200009,0.00673425],[-0.0412863,-0.0110856,-0.000460895,0.00249013]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.59
S298 (cal/mol*K) = -34.99
G298 (kcal/mol) = -42.17

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), S(1011); C2H4(72), S(1011); C5H7(210)+C2H4(72)(+M)=>S(1011)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.465e+00 -1.469e+00 -6.037e-01 -1.251e-01 / CHEB/ 1.599e+00 1.018e+00 2.832e-01 -1.107e-02 / CHEB/ 2.631e-01 1.703e-01 1.445e-01 5.153e-02 / CHEB/ 3.769e-02 1.103e-01 6.135e-02 2.393e-02 / CHEB/ -1.959e-02 4.648e-02 2.000e-02 6.734e-03 / CHEB/ -4.129e-02 -1.109e-02 -4.609e-04 2.490e-03 /

4908.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.3	+1.6	+2.1	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-0.7	+1.1	+1.8	+2.1

Chebyshev(coeffs=[[6.02136,-1.46531,-0.602689,-0.125256],[1.78898,1.01814,0.284119,-0.01074],[0.30533,0.168425,0.14403,0.0517677],[0.048317,0.109313,0.0609469,0.0239503],[-0.0165215,0.0462714,0.0198845,0.00669555],[-0.0401589,-0.0110819,-0.000504599,0.00245006]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.59
S298 (cal/mol*K) = -34.99
G298 (kcal/mol) = -42.17

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), S(1012); C2H4(72), S(1012); C5H7(210)+C2H4(72)(+M)=>S(1012)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.021e+00 -1.465e+00 -6.027e-01 -1.253e-01 / CHEB/ 1.789e+00 1.018e+00 2.841e-01 -1.074e-02 / CHEB/ 3.053e-01 1.684e-01 1.440e-01 5.177e-02 / CHEB/ 4.832e-02 1.093e-01 6.095e-02 2.395e-02 / CHEB/ -1.652e-02 4.627e-02 1.988e-02 6.696e-03 / CHEB/ -4.016e-02 -1.108e-02 -5.046e-04 2.450e-03 /

4909.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-4.8	-2.6	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-5.1	-2.7	-1.6

Chebyshev(coeffs=[[-4.08362,-0.898611,-0.468446,-0.149382],[7.90029,0.677859,0.297868,0.052989],[0.538614,0.0568255,0.069036,0.0470754],[0.088093,0.0789017,0.0429296,0.0175741],[-0.0151402,0.0344564,0.0177608,0.0052826],[-0.0320263,-0.0118286,-0.00423177,0.000116608]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.34
S298 (cal/mol*K) = -37.78
G298 (kcal/mol) = -7.08

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), S(1013); C2H4(72), S(1013); C5H7(210)+C2H4(72)(+M)=>S(1013)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.084e+00 -8.986e-01 -4.684e-01 -1.494e-01 / CHEB/ 7.900e+00 6.779e-01 2.979e-01 5.299e-02 / CHEB/ 5.386e-01 5.683e-02 6.904e-02 4.708e-02 / CHEB/ 8.809e-02 7.890e-02 4.293e-02 1.757e-02 / CHEB/ -1.514e-02 3.446e-02 1.776e-02 5.283e-03 / CHEB/ -3.203e-02 -1.183e-02 -4.232e-03 1.166e-04 /

4910.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.8	+4.5	+4.7	+4.7
log₁₀(k(10 bar)/[mole,m,s])	+2.7	+3.9	+4.4	+4.6

Chebyshev(coeffs=[[9.26782,-1.53113,-0.617651,-0.122378],[1.13299,1.01301,0.271623,-0.0150192],[0.167046,0.205806,0.152769,0.0479327],[0.0502533,0.128392,0.068533,0.02362],[-0.00331976,0.0491622,0.0217218,0.0073999],[-0.0353544,-0.0126999,-0.000217402,0.00317524]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.59
S298 (cal/mol*K) = -34.76
G298 (kcal/mol) = -42.23

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(538); C2H4(72), C7H11(538); C5H7(210)+C2H4(72)(+M)=>C7H11(538)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.268e+00 -1.531e+00 -6.177e-01 -1.224e-01 / CHEB/ 1.133e+00 1.013e+00 2.716e-01 -1.502e-02 / CHEB/ 1.670e-01 2.058e-01 1.528e-01 4.793e-02 / CHEB/ 5.025e-02 1.284e-01 6.853e-02 2.362e-02 / CHEB/ -3.320e-03 4.916e-02 2.172e-02 7.400e-03 / CHEB/ -3.535e-02 -1.270e-02 -2.174e-04 3.175e-03 /

4911.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+1.8	+2.0	+2.0
log₁₀(k(10 bar)/[mole,m,s])	+0.1	+1.2	+1.7	+1.9

Chebyshev(coeffs=[[6.5949,-1.53072,-0.618328,-0.12288],[1.13732,1.00888,0.27008,-0.0154194],[0.153447,0.202637,0.151454,0.0477053],[0.0394661,0.128144,0.0682113,0.0234277],[-0.008526,0.0501315,0.0219969,0.00731424],[-0.0372942,-0.0118828,8.66749e-05,0.00317393]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -49.94
S298 (cal/mol*K) = -36.48
G298 (kcal/mol) = -39.07

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), S(1014); C2H4(72), S(1014); C5H7(210)+C2H4(72)(+M)=>S(1014)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.595e+00 -1.531e+00 -6.183e-01 -1.229e-01 / CHEB/ 1.137e+00 1.009e+00 2.701e-01 -1.542e-02 / CHEB/ 1.534e-01 2.026e-01 1.515e-01 4.771e-02 / CHEB/ 3.947e-02 1.281e-01 6.821e-02 2.343e-02 / CHEB/ -8.526e-03 5.013e-02 2.200e-02 7.314e-03 / CHEB/ -3.729e-02 -1.188e-02 8.667e-05 3.174e-03 /

4912.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	-1.6	+0.4	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-1.9	+0.2	+1.2

Chebyshev(coeffs=[[-1.34948,-0.775314,-0.425426,-0.149774],[8.39127,0.569216,0.272044,0.0629154],[0.20296,0.0504285,0.0564144,0.0406014],[0.0178281,0.0781431,0.043264,0.0170081],[-0.0294829,0.0322133,0.017451,0.00566283],[-0.0363468,-0.0114301,-0.00463647,-0.000240199]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 23.41
S298 (cal/mol*K) = 4.10
G298 (kcal/mol) = 22.19

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C5H6(1015); C2H4(72), C2H5(421); C5H7(210)+C2H4(72)(+M)=>C2H5(421)+C5H6(1015)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.349e+00 -7.753e-01 -4.254e-01 -1.498e-01 / CHEB/ 8.391e+00 5.692e-01 2.720e-01 6.292e-02 / CHEB/ 2.030e-01 5.043e-02 5.641e-02 4.060e-02 / CHEB/ 1.783e-02 7.814e-02 4.326e-02 1.701e-02 / CHEB/ -2.948e-02 3.221e-02 1.745e-02 5.663e-03 / CHEB/ -3.635e-02 -1.143e-02 -4.636e-03 -2.402e-04 /

4913.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.1	-5.7	-2.8	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-14.4	-5.9	-2.9	-1.4

Chebyshev(coeffs=[[-7.48629,-0.598487,-0.35062,-0.140819],[11.8192,0.425273,0.225641,0.0699586],[0.261229,0.0370258,0.0391458,0.0301143],[0.0561572,0.0726727,0.0415669,0.0163412],[-0.00959587,0.0280731,0.016262,0.00616282],[-0.0262845,-0.0104344,-0.00493087,-0.000874541]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.41
S298 (cal/mol*K) = -8.02
G298 (kcal/mol) = 36.80

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(791); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(791)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.486e+00 -5.985e-01 -3.506e-01 -1.408e-01 / CHEB/ 1.182e+01 4.253e-01 2.256e-01 6.996e-02 / CHEB/ 2.612e-01 3.703e-02 3.915e-02 3.011e-02 / CHEB/ 5.616e-02 7.267e-02 4.157e-02 1.634e-02 / CHEB/ -9.596e-03 2.807e-02 1.626e-02 6.163e-03 / CHEB/ -2.628e-02 -1.043e-02 -4.931e-03 -8.745e-04 /

4914.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	-2.0	+0.1	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-8.8	-2.3	+0.0	+1.1

Chebyshev(coeffs=[[-2.07004,-0.747404,-0.414536,-0.149091],[8.94903,0.546276,0.265654,0.0646659],[0.224842,0.0483265,0.053569,0.0390653],[0.0280967,0.0775336,0.0431124,0.0168753],[-0.025064,0.0316067,0.0173026,0.00574003],[-0.0343967,-0.011332,-0.00471925,-0.000337393]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.78
S298 (cal/mol*K) = 0.02
G298 (kcal/mol) = 24.77

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H8(1016); C2H4(72), CH3(425); C5H7(210)+C2H4(72)(+M)=>CH3(425)+C6H8(1016)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.070e+00 -7.474e-01 -4.145e-01 -1.491e-01 / CHEB/ 8.949e+00 5.463e-01 2.657e-01 6.467e-02 / CHEB/ 2.248e-01 4.833e-02 5.357e-02 3.907e-02 / CHEB/ 2.810e-02 7.753e-02 4.311e-02 1.688e-02 / CHEB/ -2.506e-02 3.161e-02 1.730e-02 5.740e-03 / CHEB/ -3.440e-02 -1.133e-02 -4.719e-03 -3.374e-04 /

4915.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.0	-5.6	-2.6	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-14.3	-5.8	-2.7	-1.2

Chebyshev(coeffs=[[-7.42093,-0.60041,-0.351506,-0.14098],[11.8575,0.426821,0.226219,0.0699383],[0.278124,0.0371685,0.0393233,0.0302371],[0.0609412,0.0727557,0.0415966,0.0163467],[-0.00809676,0.0281232,0.0162789,0.00615797],[-0.0257969,-0.0104504,-0.00493086,-0.000867655]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.41
S298 (cal/mol*K) = -7.79
G298 (kcal/mol) = 36.73

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(891); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(891)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.421e+00 -6.004e-01 -3.515e-01 -1.410e-01 / CHEB/ 1.186e+01 4.268e-01 2.262e-01 6.994e-02 / CHEB/ 2.781e-01 3.717e-02 3.932e-02 3.024e-02 / CHEB/ 6.094e-02 7.276e-02 4.160e-02 1.635e-02 / CHEB/ -8.097e-03 2.812e-02 1.628e-02 6.158e-03 / CHEB/ -2.580e-02 -1.045e-02 -4.931e-03 -8.677e-04 /

4916.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.7	-5.5	-2.3	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-5.7	-2.4	-0.7

Chebyshev(coeffs=[[-8.02765,-0.553608,-0.329092,-0.136144],[12.9307,0.395445,0.21482,0.0708344],[0.34096,0.0319601,0.034397,0.0272296],[0.0849551,0.0690811,0.0398962,0.0158751],[0.00519992,0.0259841,0.0153395,0.00607832],[-0.0204277,-0.01031,-0.00507237,-0.0010961]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.06
S298 (cal/mol*K) = -9.51
G298 (kcal/mol) = 39.89

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(889); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(889)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.028e+00 -5.536e-01 -3.291e-01 -1.361e-01 / CHEB/ 1.293e+01 3.954e-01 2.148e-01 7.083e-02 / CHEB/ 3.410e-01 3.196e-02 3.440e-02 2.723e-02 / CHEB/ 8.496e-02 6.908e-02 3.990e-02 1.588e-02 / CHEB/ 5.200e-03 2.598e-02 1.534e-02 6.078e-03 / CHEB/ -2.043e-02 -1.031e-02 -5.072e-03 -1.096e-03 /

4917.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-27.6	-12.2	-7.1	-4.6
log₁₀(k(10 bar)/[mole,m,s])	-27.7	-12.3	-7.2	-4.6

Chebyshev(coeffs=[[-20.3917,-0.218725,-0.145058,-0.0740871],[21.709,0.125158,0.0811653,0.0397484],[0.0907933,0.0188614,0.0138675,0.00832962],[0.02321,0.0419319,0.027117,0.0132115],[-0.00432232,0.0138756,0.00925382,0.00477143],[-0.0136264,-0.00497587,-0.00306551,-0.00134542]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 68.66
S298 (cal/mol*K) = -10.81
G298 (kcal/mol) = 71.88

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), S(1017); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+S(1017)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.039e+01 -2.187e-01 -1.451e-01 -7.409e-02 / CHEB/ 2.171e+01 1.252e-01 8.117e-02 3.975e-02 / CHEB/ 9.079e-02 1.886e-02 1.387e-02 8.330e-03 / CHEB/ 2.321e-02 4.193e-02 2.712e-02 1.321e-02 / CHEB/ -4.322e-03 1.388e-02 9.254e-03 4.771e-03 / CHEB/ -1.363e-02 -4.976e-03 -3.066e-03 -1.345e-03 /

4918.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.9	-1.5	-0.5	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-4.9	-2.0	-0.7	-0.1

Chebyshev(coeffs=[[2.10347,-1.34707,-0.574054,-0.128795],[3.17591,1.01203,0.307018,0.000682929],[0.577945,0.116186,0.129423,0.0574441],[0.0826669,0.0887847,0.0502915,0.023234],[-0.0119619,0.0416044,0.0174,0.00550901],[-0.0363688,-0.0117473,-0.00173465,0.00146921]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -22.54
S298 (cal/mol*K) = -43.20
G298 (kcal/mol) = -9.67

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), S(1018); C2H4(72), S(1018); C5H7(210)+C2H4(72)(+M)=>S(1018)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.103e+00 -1.347e+00 -5.741e-01 -1.288e-01 / CHEB/ 3.176e+00 1.012e+00 3.070e-01 6.829e-04 / CHEB/ 5.779e-01 1.162e-01 1.294e-01 5.744e-02 / CHEB/ 8.267e-02 8.878e-02 5.029e-02 2.323e-02 / CHEB/ -1.196e-02 4.160e-02 1.740e-02 5.509e-03 / CHEB/ -3.637e-02 -1.175e-02 -1.735e-03 1.469e-03 /

4919.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.5	-7.4	-4.0	-2.4
log₁₀(k(10 bar)/[mole,m,s])	-17.7	-7.6	-4.1	-2.4

Chebyshev(coeffs=[[-10.8115,-0.462206,-0.283851,-0.125302],[14.2349,0.316488,0.180901,0.0676075],[0.137309,0.0276358,0.0273502,0.0211923],[0.0306972,0.0651692,0.0386171,0.0159408],[-0.0119108,0.0240839,0.0147238,0.00634296],[-0.0238374,-0.00899638,-0.00472095,-0.00131188]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 43.43
S298 (cal/mol*K) = -4.57
G298 (kcal/mol) = 44.79

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(565); C2H4(72), CH2(137); C5H7(210)+C2H4(72)(+M)=>CH2(137)+C6H9(565)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.081e+01 -4.622e-01 -2.839e-01 -1.253e-01 / CHEB/ 1.423e+01 3.165e-01 1.809e-01 6.761e-02 / CHEB/ 1.373e-01 2.764e-02 2.735e-02 2.119e-02 / CHEB/ 3.070e-02 6.517e-02 3.862e-02 1.594e-02 / CHEB/ -1.191e-02 2.408e-02 1.472e-02 6.343e-03 / CHEB/ -2.384e-02 -8.996e-03 -4.721e-03 -1.312e-03 /

4920.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.2	+0.8	+1.6	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-2.1	+0.3	+1.4	+1.9

Chebyshev(coeffs=[[4.7428,-1.39788,-0.586211,-0.127252],[2.63742,1.01904,0.297947,-0.00454755],[0.487359,0.137129,0.136059,0.055397],[0.0663366,0.0960236,0.0545624,0.0237937],[-0.0220139,0.0436645,0.018357,0.00600441],[-0.0404634,-0.0112359,-0.00118189,0.00184727]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.20
S298 (cal/mol*K) = -37.48
G298 (kcal/mol) = -41.03

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), S(1019); C2H4(72), S(1019); C5H7(210)+C2H4(72)(+M)=>S(1019)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.743e+00 -1.398e+00 -5.862e-01 -1.273e-01 / CHEB/ 2.637e+00 1.019e+00 2.979e-01 -4.548e-03 / CHEB/ 4.874e-01 1.371e-01 1.361e-01 5.540e-02 / CHEB/ 6.634e-02 9.602e-02 5.456e-02 2.379e-02 / CHEB/ -2.201e-02 4.366e-02 1.836e-02 6.004e-03 / CHEB/ -4.046e-02 -1.124e-02 -1.182e-03 1.847e-03 /

4921.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.2	-0.7	+1.5	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-7.6	-1.0	+1.4	+2.6

Chebyshev(coeffs=[[-0.796173,-0.770757,-0.423672,-0.149679],[9.01729,0.565466,0.271026,0.063216],[0.324867,0.0500868,0.0559466,0.0403538],[0.0543559,0.0780487,0.0432414,0.0169856],[-0.0172262,0.032115,0.0174275,0.00567519],[-0.0319667,-0.0114155,-0.00465083,-0.000255933]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.55
S298 (cal/mol*K) = 3.40
G298 (kcal/mol) = 14.54

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C4H9(1020); C2H4(72), C3H2(1021); C5H7(210)+C2H4(72)(+M)=>C3H2(1021)+C4H9(1020)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.962e-01 -7.708e-01 -4.237e-01 -1.497e-01 / CHEB/ 9.017e+00 5.655e-01 2.710e-01 6.322e-02 / CHEB/ 3.249e-01 5.009e-02 5.595e-02 4.035e-02 / CHEB/ 5.436e-02 7.805e-02 4.324e-02 1.699e-02 / CHEB/ -1.723e-02 3.211e-02 1.743e-02 5.675e-03 / CHEB/ -3.197e-02 -1.142e-02 -4.651e-03 -2.559e-04 /

4922.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-35.6	-15.5	-8.9	-5.6
log₁₀(k(10 bar)/[mole,m,s])	-35.6	-15.5	-8.9	-5.6

Chebyshev(coeffs=[[-28.0028,-0.100965,-0.0688829,-0.0369788],[28.4658,0.0396954,0.0270705,0.0145207],[-0.0345927,0.0169026,0.0114092,0.00601219],[-0.0211091,0.0238643,0.0160782,0.00844421],[-0.0147258,0.00692093,0.00477626,0.0026142],[-0.0125707,-0.00249159,-0.00160631,-0.000776208]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 82.66
S298 (cal/mol*K) = 0.68
G298 (kcal/mol) = 82.46

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), S(1023); C2H4(72), C2H(1022); C5H7(210)+C2H4(72)(+M)=>S(1023)+C2H(1022)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.800e+01 -1.010e-01 -6.888e-02 -3.698e-02 / CHEB/ 2.847e+01 3.970e-02 2.707e-02 1.452e-02 / CHEB/ -3.459e-02 1.690e-02 1.141e-02 6.012e-03 / CHEB/ -2.111e-02 2.386e-02 1.608e-02 8.444e-03 / CHEB/ -1.473e-02 6.921e-03 4.776e-03 2.614e-03 / CHEB/ -1.257e-02 -2.492e-03 -1.606e-03 -7.762e-04 /

4923.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-19.2	-8.4	-4.7	-2.8
log₁₀(k(10 bar)/[mole,m,s])	-19.4	-8.5	-4.7	-2.8

Chebyshev(coeffs=[[-12.389,-0.435691,-0.269956,-0.121274],[15.2815,0.29549,0.171305,0.0661879],[0.223791,0.0260656,0.0252928,0.0194653],[0.0577282,0.0633031,0.0378176,0.0158352],[-0.00178218,0.0231877,0.0143252,0.00631911],[-0.0195497,-0.00864642,-0.00462712,-0.0013764]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.43
S298 (cal/mol*K) = -8.76
G298 (kcal/mol) = 49.04

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), S(1024); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+S(1024)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.239e+01 -4.357e-01 -2.700e-01 -1.213e-01 / CHEB/ 1.528e+01 2.955e-01 1.713e-01 6.619e-02 / CHEB/ 2.238e-01 2.607e-02 2.529e-02 1.947e-02 / CHEB/ 5.773e-02 6.330e-02 3.782e-02 1.584e-02 / CHEB/ -1.782e-03 2.319e-02 1.433e-02 6.319e-03 / CHEB/ -1.955e-02 -8.646e-03 -4.627e-03 -1.376e-03 /

4926.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.5	+1.5	+2.4	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-3.9	+0.6	+1.9	+2.2

Chebyshev(coeffs=[[3.88012,-2.01142,-0.300981,0.020026],[4.44102,1.14299,-0.143291,-0.0973432],[0.320973,0.384885,0.123437,-0.0131461],[-0.215742,0.030946,0.0788346,0.0179055],[-0.11679,0.00047302,0.0248188,0.0096467],[-0.0351006,0.0118181,0.00498696,0.00204907]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.52
S298 (cal/mol*K) = -1.48
G298 (kcal/mol) = -2.08

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H7(782); C2H4(115), CH3(425); C2H4(115)+C5H6(62)(+M)=>CH3(425)+C6H7(782)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.880e+00 -2.011e+00 -3.010e-01 2.003e-02 / CHEB/ 4.441e+00 1.143e+00 -1.433e-01 -9.734e-02 / CHEB/ 3.210e-01 3.849e-01 1.234e-01 -1.315e-02 / CHEB/ -2.157e-01 3.095e-02 7.883e-02 1.791e-02 / CHEB/ -1.168e-01 4.730e-04 2.482e-02 9.647e-03 / CHEB/ -3.510e-02 1.182e-02 4.987e-03 2.049e-03 /

4927.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.3	-3.6	-1.5	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-4.1	-1.7	-0.9

Chebyshev(coeffs=[[-5.10386,-1.53628,-0.441102,-0.0112029],[10.5457,1.14428,0.146598,-0.095732],[0.0181251,0.202696,0.133009,0.023888],[-0.195229,-0.0395362,0.0361638,0.0299058],[-0.114834,0.000132447,0.00347321,0.00816325],[-0.0466752,0.0191892,0.00200207,-0.000982555]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.25
S298 (cal/mol*K) = 4.18
G298 (kcal/mol) = 29.00

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C5H5(783); C2H4(115), C2H5(421); C2H4(115)+C5H6(62)(+M)=>C2H5(421)+C5H5(783)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.104e+00 -1.536e+00 -4.411e-01 -1.120e-02 / CHEB/ 1.055e+01 1.144e+00 1.466e-01 -9.573e-02 / CHEB/ 1.813e-02 2.027e-01 1.330e-01 2.389e-02 / CHEB/ -1.952e-01 -3.954e-02 3.616e-02 2.991e-02 / CHEB/ -1.148e-01 1.324e-04 3.473e-03 8.163e-03 / CHEB/ -4.668e-02 1.919e-02 2.002e-03 -9.826e-04 /

4928.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.5	-7.8	-4.8	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-18.5	-8.2	-5.0	-3.7

Chebyshev(coeffs=[[-11.0384,-1.35205,-0.460576,-0.0308028],[13.4412,1.04015,0.216901,-0.0747717],[0.149908,0.165751,0.117067,0.0325219],[-0.133707,-0.0440703,0.0213024,0.0278592],[-0.0896646,0.00321698,0.00125743,0.00489594],[-0.0379505,0.0191356,0.00329779,-0.00146762]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.93
S298 (cal/mol*K) = -9.46
G298 (kcal/mol) = 41.74

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(784); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(784)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.104e+01 -1.352e+00 -4.606e-01 -3.080e-02 / CHEB/ 1.344e+01 1.040e+00 2.169e-01 -7.477e-02 / CHEB/ 1.499e-01 1.658e-01 1.171e-01 3.252e-02 / CHEB/ -1.337e-01 -4.407e-02 2.130e-02 2.786e-02 / CHEB/ -8.966e-02 3.217e-03 1.257e-03 4.896e-03 / CHEB/ -3.795e-02 1.914e-02 3.298e-03 -1.468e-03 /

4929.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.8	-1.9	-0.0	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-2.5	-0.3	+0.5

Chebyshev(coeffs=[[-2.49859,-1.69829,-0.407059,-0.000324268],[9.13443,1.21483,0.0654752,-0.101924],[0.180823,0.243683,0.142499,0.0126916],[-0.175476,-0.0312774,0.0510267,0.0287255],[-0.110597,-0.00269965,0.00734944,0.0109218],[-0.0435841,0.0182068,0.00126954,0.000187343]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.84
S298 (cal/mol*K) = 4.89
G298 (kcal/mol) = 21.38

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C4H7(571); C2H4(115), C3H3(785); C2H4(115)+C5H6(62)(+M)=>C4H7(571)+C3H3(785)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.499e+00 -1.698e+00 -4.071e-01 -3.243e-04 / CHEB/ 9.134e+00 1.215e+00 6.548e-02 -1.019e-01 / CHEB/ 1.808e-01 2.437e-01 1.425e-01 1.269e-02 / CHEB/ -1.755e-01 -3.128e-02 5.103e-02 2.873e-02 / CHEB/ -1.106e-01 -2.700e-03 7.349e-03 1.092e-02 / CHEB/ -4.358e-02 1.821e-02 1.270e-03 1.873e-04 /

4930.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.4	-5.0	-2.4	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-5.5	-2.7	-1.5

Chebyshev(coeffs=[[-6.89999,-1.55663,-0.437668,-0.00946874],[11.3762,1.15455,0.137379,-0.0971897],[0.25881,0.207267,0.134493,0.0226551],[-0.12735,-0.0387764,0.0379454,0.0299277],[-0.0927672,-0.000224436,0.00384591,0.00853289],[-0.0387926,0.0191237,0.00187915,-0.000874459]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 29.73
S298 (cal/mol*K) = -10.56
G298 (kcal/mol) = 32.87

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(748); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(748)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.900e+00 -1.557e+00 -4.377e-01 -9.469e-03 / CHEB/ 1.138e+01 1.155e+00 1.374e-01 -9.719e-02 / CHEB/ 2.588e-01 2.073e-01 1.345e-01 2.266e-02 / CHEB/ -1.273e-01 -3.878e-02 3.795e-02 2.993e-02 / CHEB/ -9.277e-02 -2.244e-04 3.846e-03 8.533e-03 / CHEB/ -3.879e-02 1.912e-02 1.879e-03 -8.745e-04 /

4931.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-2.6	-0.7	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-3.3	-1.1	-0.2

Chebyshev(coeffs=[[-2.61132,-1.81302,-0.373855,0.00428821],[8.3215,1.23938,-0.00301648,-0.100016],[0.38423,0.283022,0.144466,0.00353298],[-0.144901,-0.0204563,0.0623,0.0258116],[-0.10001,-0.00444576,0.0117764,0.0121153],[-0.037383,0.0167236,0.00134403,0.00138559]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.64
S298 (cal/mol*K) = -8.58
G298 (kcal/mol) = 20.19

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(786); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(786)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.611e+00 -1.813e+00 -3.739e-01 4.288e-03 / CHEB/ 8.322e+00 1.239e+00 -3.016e-03 -1.000e-01 / CHEB/ 3.842e-01 2.830e-01 1.445e-01 3.533e-03 / CHEB/ -1.449e-01 -2.046e-02 6.230e-02 2.581e-02 / CHEB/ -1.000e-01 -4.446e-03 1.178e-02 1.212e-02 / CHEB/ -3.738e-02 1.672e-02 1.344e-03 1.386e-03 /

4932.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-4.3	-2.3	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-4.9	-2.6	-1.6

Chebyshev(coeffs=[[-4.34761,-1.78768,-0.377626,0.00327824],[8.53826,1.24773,0.0109667,-0.100465],[0.396385,0.27545,0.146849,0.00562968],[-0.112421,-0.026022,0.060166,0.0270496],[-0.0792411,-0.00640111,0.00991977,0.0122379],[-0.0248908,0.0163542,0.000904256,0.00109689]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.49
S298 (cal/mol*K) = -14.52
G298 (kcal/mol) = 22.81

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C7H9(787); C2H4(115), H(25); C2H4(115)+C5H6(62)(+M)=>H(25)+C7H9(787)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.348e+00 -1.788e+00 -3.776e-01 3.278e-03 / CHEB/ 8.538e+00 1.248e+00 1.097e-02 -1.005e-01 / CHEB/ 3.964e-01 2.754e-01 1.468e-01 5.630e-03 / CHEB/ -1.124e-01 -2.602e-02 6.017e-02 2.705e-02 / CHEB/ -7.924e-02 -6.401e-03 9.920e-03 1.224e-02 / CHEB/ -2.489e-02 1.635e-02 9.043e-04 1.097e-03 /

4933.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.6	-4.4	-2.7	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-12.0	-5.1	-3.0	-2.3

Chebyshev(coeffs=[[-4.14854,-1.83081,-0.368001,0.0050149],[7.85151,1.23983,-0.0145868,-0.0995372],[0.346072,0.290411,0.144214,0.00211546],[-0.161748,-0.018108,0.0640663,0.0251981],[-0.105222,-0.00464738,0.0126442,0.0121756],[-0.0387092,0.0164126,0.00143699,0.00158187]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.85
S298 (cal/mol*K) = -27.69
G298 (kcal/mol) = 17.10

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(751); C5H6(62), C7H10(751); C2H4(115)+C5H6(62)(+M)=>C7H10(751)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.149e+00 -1.831e+00 -3.680e-01 5.015e-03 / CHEB/ 7.852e+00 1.240e+00 -1.459e-02 -9.954e-02 / CHEB/ 3.461e-01 2.904e-01 1.442e-01 2.115e-03 / CHEB/ -1.617e-01 -1.811e-02 6.407e-02 2.520e-02 / CHEB/ -1.052e-01 -4.647e-03 1.264e-02 1.218e-02 / CHEB/ -3.871e-02 1.641e-02 1.437e-03 1.582e-03 /

4934.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	+1.6	+2.5	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-3.6	+0.7	+1.9	+2.2

Chebyshev(coeffs=[[4.25662,-2.04734,-0.290573,0.0241403],[4.06735,1.10126,-0.163784,-0.0956634],[0.328321,0.398284,0.112747,-0.0171968],[-0.200597,0.0478997,0.0797193,0.0163521],[-0.112466,0.00555801,0.0273104,0.00892772],[-0.0317805,0.0113221,0.00627908,0.0014804]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.97
S298 (cal/mol*K) = -26.19
G298 (kcal/mol) = -6.17

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(788); C5H6(62), C7H10(788); C2H4(115)+C5H6(62)(+M)=>C7H10(788)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.257e+00 -2.047e+00 -2.906e-01 2.414e-02 / CHEB/ 4.067e+00 1.101e+00 -1.638e-01 -9.566e-02 / CHEB/ 3.283e-01 3.983e-01 1.127e-01 -1.720e-02 / CHEB/ -2.006e-01 4.790e-02 7.972e-02 1.635e-02 / CHEB/ -1.125e-01 5.558e-03 2.731e-02 8.928e-03 / CHEB/ -3.178e-02 1.132e-02 6.279e-03 1.480e-03 /

4935.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.6	-5.0	-2.8	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-13.9	-5.6	-3.1	-2.1

Chebyshev(coeffs=[[-6.11754,-1.67921,-0.411852,-0.00126745],[10.0135,1.20814,0.0759485,-0.101824],[0.316183,0.238186,0.141707,0.014155],[-0.131668,-0.0325698,0.0492012,0.0290351],[-0.0959508,-0.00237496,0.00677177,0.0106348],[-0.0387164,0.0183825,0.00131834,1.35575e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.85
S298 (cal/mol*K) = -27.69
G298 (kcal/mol) = 17.10

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(789); C5H6(62), C7H10(789); C2H4(115)+C5H6(62)(+M)=>C7H10(789)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.118e+00 -1.679e+00 -4.119e-01 -1.267e-03 / CHEB/ 1.001e+01 1.208e+00 7.595e-02 -1.018e-01 / CHEB/ 3.162e-01 2.382e-01 1.417e-01 1.415e-02 / CHEB/ -1.317e-01 -3.257e-02 4.920e-02 2.904e-02 / CHEB/ -9.595e-02 -2.375e-03 6.772e-03 1.063e-02 / CHEB/ -3.872e-02 1.838e-02 1.318e-03 1.356e-05 /

4936.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.9	-3.7	-2.3	-1.9
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-4.4	-2.7	-2.1

Chebyshev(coeffs=[[-2.48224,-1.92471,-0.333703,0.0107962],[6.33789,1.2164,-0.0807851,-0.0981006],[0.3949,0.337291,0.138957,-0.00510037],[-0.181495,-8.24126e-05,0.0729549,0.021401],[-0.107914,-0.00459062,0.0183083,0.0115617],[-0.0363072,0.014267,0.00257801,0.00241291]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.85
S298 (cal/mol*K) = -24.29
G298 (kcal/mol) = 9.09

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(790); C5H6(62), C7H10(790); C2H4(115)+C5H6(62)(+M)=>C7H10(790)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.482e+00 -1.925e+00 -3.337e-01 1.080e-02 / CHEB/ 6.338e+00 1.216e+00 -8.079e-02 -9.810e-02 / CHEB/ 3.949e-01 3.373e-01 1.390e-01 -5.100e-03 / CHEB/ -1.815e-01 -8.241e-05 7.295e-02 2.140e-02 / CHEB/ -1.079e-01 -4.591e-03 1.831e-02 1.156e-02 / CHEB/ -3.631e-02 1.427e-02 2.578e-03 2.413e-03 /

4937.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.2	-4.4	-3.0	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-10.7	-5.2	-3.5	-2.9

Chebyshev(coeffs=[[-2.70083,-1.98184,-0.311324,0.0166525],[5.65146,1.17338,-0.123385,-0.0980066],[0.485102,0.370045,0.130449,-0.0100309],[-0.16955,0.0184526,0.0772505,0.0190532],[-0.101398,-0.00220421,0.0225972,0.0103469],[-0.0313374,0.0125871,0.00401812,0.00236307]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.55
S298 (cal/mol*K) = -33.58
G298 (kcal/mol) = 2.46

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(664); C5H6(62), C7H10(664); C2H4(115)+C5H6(62)(+M)=>C7H10(664)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.701e+00 -1.982e+00 -3.113e-01 1.665e-02 / CHEB/ 5.651e+00 1.173e+00 -1.234e-01 -9.801e-02 / CHEB/ 4.851e-01 3.700e-01 1.304e-01 -1.003e-02 / CHEB/ -1.695e-01 1.845e-02 7.725e-02 1.905e-02 / CHEB/ -1.014e-01 -2.204e-03 2.260e-02 1.035e-02 / CHEB/ -3.134e-02 1.259e-02 4.018e-03 2.363e-03 /

4938.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	-2.5	-1.5	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-8.2	-3.4	-2.0	-1.6

Chebyshev(coeffs=[[-0.296467,-2.01656,-0.29934,0.0206165],[4.71526,1.13729,-0.146482,-0.0971608],[0.396897,0.387148,0.122034,-0.0137176],[-0.192158,0.0332831,0.0790426,0.0176987],[-0.109079,0.00106869,0.025193,0.00953332],[-0.0321009,0.011709,0.00516597,0.00197686]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.72
S298 (cal/mol*K) = -28.77
G298 (kcal/mol) = -3.15

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(791); C5H6(62), C7H10(791); C2H4(115)+C5H6(62)(+M)=>C7H10(791)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.965e-01 -2.017e+00 -2.993e-01 2.062e-02 / CHEB/ 4.715e+00 1.137e+00 -1.465e-01 -9.716e-02 / CHEB/ 3.969e-01 3.871e-01 1.220e-01 -1.372e-02 / CHEB/ -1.922e-01 3.328e-02 7.904e-02 1.770e-02 / CHEB/ -1.091e-01 1.069e-03 2.519e-02 9.533e-03 / CHEB/ -3.210e-02 1.171e-02 5.166e-03 1.977e-03 /

4939.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-4.2	-2.9	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-5.0	-3.3	-2.7

Chebyshev(coeffs=[[-2.57375,-1.9653,-0.317647,0.0148213],[5.75995,1.18822,-0.111326,-0.0981243],[0.442467,0.360763,0.133539,-0.00846169],[-0.179809,0.0123113,0.0761464,0.0197025],[-0.105251,-0.00321425,0.0213271,0.010743],[-0.033552,0.0130759,0.00353652,0.00245058]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.65
S298 (cal/mol*K) = -32.48
G298 (kcal/mol) = 11.33

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(662); C5H6(62), C7H10(662); C2H4(115)+C5H6(62)(+M)=>C7H10(662)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.574e+00 -1.965e+00 -3.176e-01 1.482e-02 / CHEB/ 5.760e+00 1.188e+00 -1.113e-01 -9.812e-02 / CHEB/ 4.425e-01 3.608e-01 1.335e-01 -8.462e-03 / CHEB/ -1.798e-01 1.231e-02 7.615e-02 1.970e-02 / CHEB/ -1.053e-01 -3.214e-03 2.133e-02 1.074e-02 / CHEB/ -3.355e-02 1.308e-02 3.537e-03 2.451e-03 /

4940.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	-1.8	-1.0	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-6.7	-2.8	-1.7	-1.3

Chebyshev(coeffs=[[1.14065,-2.09889,-0.279394,0.0299897],[3.62897,1.03528,-0.18668,-0.0918202],[0.294585,0.407103,0.0952287,-0.0227321],[-0.181264,0.0726115,0.0782786,0.0135762],[-0.104586,0.0165581,0.0300938,0.00811914],[-0.0272873,0.0123091,0.00821124,0.000613586]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.10
S298 (cal/mol*K) = -35.13
G298 (kcal/mol) = -12.63

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(792); C5H6(62), C7H10(792); C2H4(115)+C5H6(62)(+M)=>C7H10(792)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.141e+00 -2.099e+00 -2.794e-01 2.999e-02 / CHEB/ 3.629e+00 1.035e+00 -1.867e-01 -9.182e-02 / CHEB/ 2.946e-01 4.071e-01 9.523e-02 -2.273e-02 / CHEB/ -1.813e-01 7.261e-02 7.828e-02 1.358e-02 / CHEB/ -1.046e-01 1.656e-02 3.009e-02 8.119e-03 / CHEB/ -2.729e-02 1.231e-02 8.211e-03 6.136e-04 /

4941.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.6	-6.5	-3.9	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-16.7	-6.9	-4.1	-3.0

Chebyshev(coeffs=[[-9.32124,-1.37047,-0.459601,-0.0285961],[12.6369,1.05127,0.210972,-0.0774094],[0.0226815,0.169183,0.118819,0.0318613],[-0.173172,-0.0437761,0.0226835,0.0281988],[-0.10332,0.00293225,0.00139572,0.00520531],[-0.0427929,0.0191904,0.00316153,-0.00145749]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.23
S298 (cal/mol*K) = -3.29
G298 (kcal/mol) = 38.21

! PDep reaction: PDepNetwork #12 ! Flux pairs: C5H6(62), C6H8(712); C2H4(115), CH2(137); C2H4(115)+C5H6(62)(+M)=>CH2(137)+C6H8(712)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.321e+00 -1.370e+00 -4.596e-01 -2.860e-02 / CHEB/ 1.264e+01 1.051e+00 2.110e-01 -7.741e-02 / CHEB/ 2.268e-02 1.692e-01 1.188e-01 3.186e-02 / CHEB/ -1.732e-01 -4.378e-02 2.268e-02 2.820e-02 / CHEB/ -1.033e-01 2.932e-03 1.396e-03 5.205e-03 / CHEB/ -4.279e-02 1.919e-02 3.162e-03 -1.457e-03 /

4942.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.0	-0.6	+0.1	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-5.5	-1.6	-0.5	-0.2

Chebyshev(coeffs=[[2.31737,-2.09949,-0.279284,0.0300577],[3.59613,1.03447,-0.186909,-0.091767],[0.287716,0.407133,0.0950183,-0.0227919],[-0.182965,0.0728872,0.0782424,0.0135403],[-0.105107,0.016708,0.0301186,0.00811043],[-0.0274519,0.0123362,0.00823345,0.000604163]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.12
S298 (cal/mol*K) = -22.75
G298 (kcal/mol) = -11.33

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(793); C5H6(62), C7H10(793); C2H4(115)+C5H6(62)(+M)=>C7H10(793)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.317e+00 -2.099e+00 -2.793e-01 3.006e-02 / CHEB/ 3.596e+00 1.034e+00 -1.869e-01 -9.177e-02 / CHEB/ 2.877e-01 4.071e-01 9.502e-02 -2.279e-02 / CHEB/ -1.830e-01 7.289e-02 7.824e-02 1.354e-02 / CHEB/ -1.051e-01 1.671e-02 3.012e-02 8.110e-03 / CHEB/ -2.745e-02 1.234e-02 8.233e-03 6.042e-04 /

4943.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.2	-0.6	+0.3	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-5.7	-1.5	-0.3	+0.1

Chebyshev(coeffs=[[2.18177,-2.07526,-0.281918,0.0276219],[3.92367,1.06765,-0.177482,-0.0936773],[0.348022,0.408785,0.10329,-0.0207062],[-0.168063,0.0635183,0.0800947,0.0150302],[-0.091497,0.0105977,0.0294134,0.00869251],[-0.026707,0.0107646,0.00729433,0.00101188]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -67.11
S298 (cal/mol*K) = -38.13
G298 (kcal/mol) = -55.75

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(794); C5H6(62), C7H10(794); C2H4(115)+C5H6(62)(+M)=>C7H10(794)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.182e+00 -2.075e+00 -2.819e-01 2.762e-02 / CHEB/ 3.924e+00 1.068e+00 -1.775e-01 -9.368e-02 / CHEB/ 3.480e-01 4.088e-01 1.033e-01 -2.071e-02 / CHEB/ -1.681e-01 6.352e-02 8.009e-02 1.503e-02 / CHEB/ -9.150e-02 1.060e-02 2.941e-02 8.693e-03 / CHEB/ -2.671e-02 1.076e-02 7.294e-03 1.012e-03 /

4944.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.8	+1.5	+3.3	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-6.1	+0.8	+2.9	+3.8

Chebyshev(coeffs=[[1.81608,-1.85331,-0.35381,0.0061698],[7.7495,1.25117,-0.0334598,-0.0987043],[0.48569,0.305447,0.147209,0.000523862],[-0.140353,-0.0165315,0.0672642,0.0248213],[-0.100856,-0.00642357,0.0133138,0.0123805],[-0.0351057,0.0154289,0.00113858,0.00181684]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.93
S298 (cal/mol*K) = -12.72
G298 (kcal/mol) = 12.73

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(795); C5H6(62), C7H10(795); C2H4(115)+C5H6(62)(+M)=>C7H10(795)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.816e+00 -1.853e+00 -3.538e-01 6.170e-03 / CHEB/ 7.749e+00 1.251e+00 -3.346e-02 -9.870e-02 / CHEB/ 4.857e-01 3.054e-01 1.472e-01 5.239e-04 / CHEB/ -1.404e-01 -1.653e-02 6.726e-02 2.482e-02 / CHEB/ -1.009e-01 -6.424e-03 1.331e-02 1.238e-02 / CHEB/ -3.511e-02 1.543e-02 1.139e-03 1.817e-03 /

4945.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.6	-0.4	+1.3	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-1.1	+1.0	+1.8

Chebyshev(coeffs=[[-0.0649884,-1.86429,-0.356438,0.00660245],[7.71379,1.23705,-0.0371623,-0.0987338],[0.445077,0.305548,0.143187,-0.00050204],[-0.144068,-0.012936,0.0673585,0.0239358],[-0.098399,-0.00490213,0.0144423,0.0121532],[-0.035231,0.0157519,0.00170219,0.0019366]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.93
S298 (cal/mol*K) = -12.72
G298 (kcal/mol) = 12.73

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(796); C5H6(62), C7H10(796); C2H4(115)+C5H6(62)(+M)=>C7H10(796)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.499e-02 -1.864e+00 -3.564e-01 6.602e-03 / CHEB/ 7.714e+00 1.237e+00 -3.716e-02 -9.873e-02 / CHEB/ 4.451e-01 3.055e-01 1.432e-01 -5.020e-04 / CHEB/ -1.441e-01 -1.294e-02 6.736e-02 2.394e-02 / CHEB/ -9.840e-02 -4.902e-03 1.444e-02 1.215e-02 / CHEB/ -3.523e-02 1.575e-02 1.702e-03 1.937e-03 /

4946.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.0	-0.4	+0.8	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-6.4	-1.2	+0.3	+0.8

Chebyshev(coeffs=[[1.44109,-1.97336,-0.31453,0.0157052],[5.3471,1.18121,-0.117263,-0.0980855],[0.384363,0.365345,0.132107,-0.00920924],[-0.198309,0.0152225,0.0767005,0.0193833],[-0.111106,-0.00276097,0.0219464,0.010552],[-0.035208,0.0128353,0.00376491,0.00241612]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.99
S298 (cal/mol*K) = -11.82
G298 (kcal/mol) = 0.54

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(758); C5H6(62), C7H10(758); C2H4(115)+C5H6(62)(+M)=>C7H10(758)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.441e+00 -1.973e+00 -3.145e-01 1.571e-02 / CHEB/ 5.347e+00 1.181e+00 -1.173e-01 -9.809e-02 / CHEB/ 3.844e-01 3.653e-01 1.321e-01 -9.209e-03 / CHEB/ -1.983e-01 1.522e-02 7.670e-02 1.938e-02 / CHEB/ -1.111e-01 -2.761e-03 2.195e-02 1.055e-02 / CHEB/ -3.521e-02 1.284e-02 3.765e-03 2.416e-03 /

4947.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-4.4	-3.1	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-5.2	-3.5	-3.0

Chebyshev(coeffs=[[-3.22551,-1.91382,-0.337965,0.00987777],[6.30506,1.2219,-0.0726601,-0.098122],[0.340335,0.331168,0.140001,-0.00426584],[-0.19349,-0.00282948,0.0720022,0.0218706],[-0.112497,-0.00476126,0.0175491,0.0117261],[-0.0383626,0.0145643,0.0023747,0.00235428]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.28
S298 (cal/mol*K) = -34.64
G298 (kcal/mol) = 6.05

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(797); C5H6(62), C7H10(797); C2H4(115)+C5H6(62)(+M)=>C7H10(797)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.226e+00 -1.914e+00 -3.380e-01 9.878e-03 / CHEB/ 6.305e+00 1.222e+00 -7.266e-02 -9.812e-02 / CHEB/ 3.403e-01 3.312e-01 1.400e-01 -4.266e-03 / CHEB/ -1.935e-01 -2.829e-03 7.200e-02 2.187e-02 / CHEB/ -1.125e-01 -4.761e-03 1.755e-02 1.173e-02 / CHEB/ -3.836e-02 1.456e-02 2.375e-03 2.354e-03 /

4948.

→

PDepNetwork #12

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.2	+2.6	+2.8	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+1.4	+2.0	+2.1

Chebyshev(coeffs=[[6.22525,-2.19748,-0.265164,0.0411941],[2.35858,0.895251,-0.215754,-0.0810334],[-0.00977013,0.391496,0.0616706,-0.0303613],[-0.221302,0.109131,0.067429,0.00721478],[-0.104424,0.0448585,0.0309141,0.00641703],[-0.0236057,0.0223162,0.0110417,-0.000787163]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -73.60
S298 (cal/mol*K) = -50.59
G298 (kcal/mol) = -58.53

! PDep reaction: PDepNetwork #12 ! Flux pairs: C2H4(115), C7H10(798); C5H6(62), C7H10(798); C2H4(115)+C5H6(62)(+M)=>C7H10(798)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.225e+00 -2.197e+00 -2.652e-01 4.119e-02 / CHEB/ 2.359e+00 8.953e-01 -2.158e-01 -8.103e-02 / CHEB/ -9.770e-03 3.915e-01 6.167e-02 -3.036e-02 / CHEB/ -2.213e-01 1.091e-01 6.743e-02 7.215e-03 / CHEB/ -1.044e-01 4.486e-02 3.091e-02 6.417e-03 / CHEB/ -2.361e-02 2.232e-02 1.104e-02 -7.872e-04 /

4979.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-2.1	-0.0	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-7.3	-1.2	+1.0	+1.9

Chebyshev(coeffs=[[-7.22388,1.91575,-0.0167456,-0.00412002],[7.79348,0.0406516,-0.00991026,-0.00273436],[0.47109,0.0134539,0.00218594,-0.00474941],[-0.0394029,0.00474726,0.00650201,0.00109392],[-0.0673011,-0.00127442,0.00114218,0.00126127],[-0.0152607,-0.00176908,-0.00152026,-0.000131919]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.64
S298 (cal/mol*K) = -10.92
G298 (kcal/mol) = 22.90

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H9(24); C7H10(38), H(25); C7H10(38)(+M)=>C7H9(24)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.224e+00 1.916e+00 -1.675e-02 -4.120e-03 / CHEB/ 7.793e+00 4.065e-02 -9.910e-03 -2.734e-03 / CHEB/ 4.711e-01 1.345e-02 2.186e-03 -4.749e-03 / CHEB/ -3.940e-02 4.747e-03 6.502e-03 1.094e-03 / CHEB/ -6.730e-02 -1.274e-03 1.142e-03 1.261e-03 / CHEB/ -1.526e-02 -1.769e-03 -1.520e-03 -1.319e-04 /

4980.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.7	+4.5	+5.5	+5.9
log₁₀(k(10 bar)/[mole,m,s])	+2.6	+5.4	+6.4	+6.9

Chebyshev(coeffs=[[2.27512,1.84422,-0.0606529,-0.0380087],[3.31319,0.101176,0.0471747,0.0368252],[0.401721,0.0177647,-0.0101131,-0.00187165],[-0.0310496,0.00499583,-0.00158836,-0.00660152],[-0.0605038,-0.00105278,0.00383111,-0.00160937],[-0.0142493,-0.00222812,0.00112215,0.000677587]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.85
S298 (cal/mol*K) = -0.01
G298 (kcal/mol) = -0.85

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H9(5); C7H10(38), H(25); C7H10(38)(+M)=>C7H9(5)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.275e+00 1.844e+00 -6.065e-02 -3.801e-02 / CHEB/ 3.313e+00 1.012e-01 4.717e-02 3.683e-02 / CHEB/ 4.017e-01 1.776e-02 -1.011e-02 -1.872e-03 / CHEB/ -3.105e-02 4.996e-03 -1.588e-03 -6.602e-03 / CHEB/ -6.050e-02 -1.053e-03 3.831e-03 -1.609e-03 / CHEB/ -1.425e-02 -2.228e-03 1.122e-03 6.776e-04 /

4981.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.1	-4.8	-1.9	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-3.8	-0.9	+0.5

Chebyshev(coeffs=[[-11.9255,1.93054,-0.022207,-0.00171735],[11.0145,0.0324303,-0.00230153,-0.007963],[0.484155,0.00975935,0.00346574,-0.00219369],[-0.0242051,0.00250006,0.00381466,0.00187901],[-0.0593158,-0.00137867,9.90714e-06,0.000820706],[-0.0133107,-0.00141928,-0.00124396,-0.000457054]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.19
S298 (cal/mol*K) = -12.63
G298 (kcal/mol) = 33.96

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(26); C7H10(38)(+M)=>H(25)+C7H9(26)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.193e+01 1.931e+00 -2.221e-02 -1.717e-03 / CHEB/ 1.101e+01 3.243e-02 -2.302e-03 -7.963e-03 / CHEB/ 4.842e-01 9.759e-03 3.466e-03 -2.194e-03 / CHEB/ -2.421e-02 2.500e-03 3.815e-03 1.879e-03 / CHEB/ -5.932e-02 -1.379e-03 9.907e-06 8.207e-04 / CHEB/ -1.331e-02 -1.419e-03 -1.244e-03 -4.571e-04 /

4982.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-2.0	+0.4	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-7.7	-1.0	+1.4	+2.5

Chebyshev(coeffs=[[-7.55735,1.91848,-0.0175287,-0.00303457],[8.63545,0.039219,-0.00901717,-0.00451477],[0.54041,0.0127085,0.00273588,-0.00423059],[-0.0173808,0.00431074,0.00605369,0.00135253],[-0.0597876,-0.00126931,0.000855005,0.00121417],[-0.012307,-0.00169747,-0.00148262,-0.000202653]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.99
S298 (cal/mol*K) = -13.73
G298 (kcal/mol) = 25.08

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(27); C7H10(38)(+M)=>H(25)+C7H9(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.557e+00 1.918e+00 -1.753e-02 -3.035e-03 / CHEB/ 8.635e+00 3.922e-02 -9.017e-03 -4.515e-03 / CHEB/ 5.404e-01 1.271e-02 2.736e-03 -4.231e-03 / CHEB/ -1.738e-02 4.311e-03 6.054e-03 1.353e-03 / CHEB/ -5.979e-02 -1.269e-03 8.550e-04 1.214e-03 / CHEB/ -1.231e-02 -1.697e-03 -1.483e-03 -2.027e-04 /

4983.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.9	+5.2	+5.9	+6.4
log₁₀(k(10 bar)/[mole,m,s])	+4.8	+6.1	+6.8	+7.4

Chebyshev(coeffs=[[3.99272,1.78578,-0.0938898,-0.0526099],[2.00748,0.0435611,0.0231483,0.028365],[0.151967,0.0157161,-0.0106585,0.0020034],[0.0813478,0.0117498,-0.00801675,-0.00871434],[0.0673332,0.0100531,0.00180548,-0.00595581],[0.0458892,0.0145609,0.0105703,0.000802941]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -23.59
S298 (cal/mol*K) = -19.09
G298 (kcal/mol) = -17.89

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(28); C7H10(38)(+M)=>C7H10(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.993e+00 1.786e+00 -9.389e-02 -5.261e-02 / CHEB/ 2.007e+00 4.356e-02 2.315e-02 2.837e-02 / CHEB/ 1.520e-01 1.572e-02 -1.066e-02 2.003e-03 / CHEB/ 8.135e-02 1.175e-02 -8.017e-03 -8.714e-03 / CHEB/ 6.733e-02 1.005e-02 1.805e-03 -5.956e-03 / CHEB/ 4.589e-02 1.456e-02 1.057e-02 8.029e-04 /

4984.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.7	+4.2	+5.4	+6.0
log₁₀(k(10 bar)/[mole,m,s])	+1.6	+5.2	+6.4	+6.9

Chebyshev(coeffs=[[1.45019,1.87131,-0.0403204,-0.0279301],[4.15595,0.0815032,0.0252577,0.0279744],[0.466185,0.0107227,-0.0121924,-0.00632551],[-0.0452586,0.00948477,0.00556261,-0.00399559],[-0.0710735,-0.00102503,0.00427582,0.000148238],[-0.0179587,-0.00269829,-0.000469584,0.000778772]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.18
S298 (cal/mol*K) = -13.47
G298 (kcal/mol) = 3.83

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(29); C7H10(38)(+M)=>C7H10(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.450e+00 1.871e+00 -4.032e-02 -2.793e-02 / CHEB/ 4.156e+00 8.150e-02 2.526e-02 2.797e-02 / CHEB/ 4.662e-01 1.072e-02 -1.219e-02 -6.326e-03 / CHEB/ -4.526e-02 9.485e-03 5.563e-03 -3.996e-03 / CHEB/ -7.107e-02 -1.025e-03 4.276e-03 1.482e-04 / CHEB/ -1.796e-02 -2.698e-03 -4.696e-04 7.788e-04 /

4985.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	+1.6	+3.5	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-2.9	+2.5	+4.5	+5.4

Chebyshev(coeffs=[[-2.94512,1.90968,-0.0160199,-0.00702476],[6.92139,0.0426336,-0.0103038,0.00143797],[0.458081,0.0159213,0.000375238,-0.00514502],[-0.0107341,0.00615357,0.00717835,0.00021575],[-0.057959,-0.0014469,0.00201387,0.00103978],[-0.0181442,-0.00203531,-0.00147733,0.000115528]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.18
S298 (cal/mol*K) = -13.47
G298 (kcal/mol) = 3.83

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(30); C7H10(38)(+M)=>C7H10(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.945e+00 1.910e+00 -1.602e-02 -7.025e-03 / CHEB/ 6.921e+00 4.263e-02 -1.030e-02 1.438e-03 / CHEB/ 4.581e-01 1.592e-02 3.752e-04 -5.145e-03 / CHEB/ -1.073e-02 6.154e-03 7.178e-03 2.157e-04 / CHEB/ -5.796e-02 -1.447e-03 2.014e-03 1.040e-03 / CHEB/ -1.814e-02 -2.035e-03 -1.477e-03 1.155e-04 /

4986.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.9	+4.4	+5.0	+5.3
log₁₀(k(10 bar)/[mole,m,s])	+3.8	+5.4	+5.9	+6.3

Chebyshev(coeffs=[[3.06473,1.8206,-0.0753603,-0.0454325],[2.05791,0.0853339,0.0420822,0.0344438],[0.131094,0.0209097,-0.00782138,0.00128444],[-0.013555,0.00183081,-0.00790038,-0.00843317],[-0.00475518,-0.00522138,-0.00163661,-0.00515529],[0.0225691,-0.00218799,0.00135078,-0.000729324]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.73
S298 (cal/mol*K) = -11.76
G298 (kcal/mol) = -7.23

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(31); C7H10(38)(+M)=>C7H10(31)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.065e+00 1.821e+00 -7.536e-02 -4.543e-02 / CHEB/ 2.058e+00 8.533e-02 4.208e-02 3.444e-02 / CHEB/ 1.311e-01 2.091e-02 -7.821e-03 1.284e-03 / CHEB/ -1.356e-02 1.831e-03 -7.900e-03 -8.433e-03 / CHEB/ -4.755e-03 -5.221e-03 -1.637e-03 -5.155e-03 / CHEB/ 2.257e-02 -2.188e-03 1.351e-03 -7.293e-04 /

4987.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.8	+2.6	+3.0	+3.1
log₁₀(k(10 bar)/[mole,m,s])	+1.7	+3.5	+4.0	+4.1

Chebyshev(coeffs=[[0.935896,1.82463,-0.0727501,-0.0448988],[2.26613,0.100037,0.0527757,0.0386298],[0.0441595,0.0375173,0.00342698,0.00696218],[-0.088142,0.010293,-0.0029174,-0.00516371],[-0.0550641,-0.00422806,-0.00130848,-0.00426889],[-0.0106622,-0.00415269,0.000381353,-0.000760126]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.03
S298 (cal/mol*K) = -22.18
G298 (kcal/mol) = -6.42

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(32); C7H10(38)(+M)=>C7H10(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 9.359e-01 1.825e+00 -7.275e-02 -4.490e-02 / CHEB/ 2.266e+00 1.000e-01 5.278e-02 3.863e-02 / CHEB/ 4.416e-02 3.752e-02 3.427e-03 6.962e-03 / CHEB/ -8.814e-02 1.029e-02 -2.917e-03 -5.164e-03 / CHEB/ -5.506e-02 -4.228e-03 -1.308e-03 -4.269e-03 / CHEB/ -1.066e-02 -4.153e-03 3.814e-04 -7.601e-04 /

4988.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+4.5	+5.9	+6.1	+6.0
log₁₀(k(10 bar)/[mole,m,s])	+5.0	+6.5	+6.9	+6.9

Chebyshev(coeffs=[[4.64946,1.2288,-0.0192753,-0.0460701],[1.5082,0.271509,-0.0807297,0.0583663],[-0.0936531,0.287697,-0.0402556,-0.0431343],[-0.124415,0.0665333,0.0114183,-0.0140948],[-0.0456823,-0.0215942,0.019873,0.0111905],[-0.00979008,-0.0198775,0.0138649,0.00659048]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -36.43
S298 (cal/mol*K) = -29.18
G298 (kcal/mol) = -27.74

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(33); C7H10(38)(+M)=>C7H10(33)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.649e+00 1.229e+00 -1.928e-02 -4.607e-02 / CHEB/ 1.508e+00 2.715e-01 -8.073e-02 5.837e-02 / CHEB/ -9.365e-02 2.877e-01 -4.026e-02 -4.313e-02 / CHEB/ -1.244e-01 6.653e-02 1.142e-02 -1.409e-02 / CHEB/ -4.568e-02 -2.159e-02 1.987e-02 1.119e-02 / CHEB/ -9.790e-03 -1.988e-02 1.386e-02 6.590e-03 /

4989.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.3	+1.8	+2.4	+2.6
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+2.7	+3.3	+3.5

Chebyshev(coeffs=[[-0.000588564,1.83082,-0.0691,-0.0428296],[2.52725,0.102139,0.0520907,0.0385798],[0.156329,0.0314672,-0.000869355,0.00428511],[-0.064572,0.00768542,-0.00321731,-0.00600376],[-0.0571483,-0.00343759,0.000384444,-0.00357228],[-0.0139669,-0.00314208,0.00109418,-0.000155726]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -13.03
S298 (cal/mol*K) = -23.56
G298 (kcal/mol) = -6.01

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(34); C7H10(38)(+M)=>C7H10(34)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.886e-04 1.831e+00 -6.910e-02 -4.283e-02 / CHEB/ 2.527e+00 1.021e-01 5.209e-02 3.858e-02 / CHEB/ 1.563e-01 3.147e-02 -8.694e-04 4.285e-03 / CHEB/ -6.457e-02 7.685e-03 -3.217e-03 -6.004e-03 / CHEB/ -5.715e-02 -3.438e-03 3.844e-04 -3.572e-03 / CHEB/ -1.397e-02 -3.142e-03 1.094e-03 -1.557e-04 /

4990.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.7	+3.6	+4.1	+4.3
log₁₀(k(10 bar)/[mole,m,s])	+2.6	+4.6	+5.1	+5.3

Chebyshev(coeffs=[[2.00864,1.83488,-0.0664907,-0.0411599],[2.26485,0.100071,0.0488792,0.0374327],[0.148198,0.0232115,-0.0064116,0.00100879],[-0.0731025,0.00463674,-0.00382944,-0.00695189],[-0.0631608,-0.0030816,0.00148281,-0.00307457],[-0.0141649,-0.00273608,0.0011745,0.000140774]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.73
S298 (cal/mol*K) = -10.38
G298 (kcal/mol) = -7.64

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(35); C7H10(38)(+M)=>C7H10(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.009e+00 1.835e+00 -6.649e-02 -4.116e-02 / CHEB/ 2.265e+00 1.001e-01 4.888e-02 3.743e-02 / CHEB/ 1.482e-01 2.321e-02 -6.412e-03 1.009e-03 / CHEB/ -7.310e-02 4.637e-03 -3.829e-03 -6.952e-03 / CHEB/ -6.316e-02 -3.082e-03 1.483e-03 -3.075e-03 / CHEB/ -1.416e-02 -2.736e-03 1.174e-03 1.408e-04 /

4991.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	+2.5	+5.5	+6.9
log₁₀(k(10 bar)/[mole,m,s])	-5.5	+3.5	+6.5	+7.9

Chebyshev(coeffs=[[-5.27781,1.9358,-0.0237677,-0.00237637],[11.8926,0.0293101,0.000539967,-0.00777066],[0.384325,0.00847299,0.00316193,-0.00150414],[-0.0483226,0.00185098,0.00296679,0.00185239],[-0.065676,-0.00142276,-0.000218892,0.000585004],[-0.0160834,-0.00136654,-0.00115872,-0.000533734]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.75
S298 (cal/mol*K) = 2.00
G298 (kcal/mol) = 31.15

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(36); C7H10(38)(+M)=>C7H10(36)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.278e+00 1.936e+00 -2.377e-02 -2.376e-03 / CHEB/ 1.189e+01 2.931e-02 5.400e-04 -7.771e-03 / CHEB/ 3.843e-01 8.473e-03 3.162e-03 -1.504e-03 / CHEB/ -4.832e-02 1.851e-03 2.967e-03 1.852e-03 / CHEB/ -6.568e-02 -1.423e-03 -2.189e-04 5.850e-04 / CHEB/ -1.608e-02 -1.367e-03 -1.159e-03 -5.337e-04 /

4992.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+3.5	+5.5	+6.4
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+4.4	+6.5	+7.4

Chebyshev(coeffs=[[-1.22716,1.91051,-0.0171214,-0.00646152],[7.21794,0.0406684,-0.0113986,-5.94259e-05],[0.495096,0.0133163,0.000514704,-0.00577489],[-0.0341746,0.00553103,0.00705898,0.000596606],[-0.0659123,-0.000630643,0.00191803,0.00137446],[-0.0167179,-0.00116567,-0.0011637,0.000118651]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.92
S298 (cal/mol*K) = 1.01
G298 (kcal/mol) = 14.61

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(37); C7H10(38)(+M)=>C7H10(37)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.227e+00 1.911e+00 -1.712e-02 -6.462e-03 / CHEB/ 7.218e+00 4.067e-02 -1.140e-02 -5.943e-05 / CHEB/ 4.951e-01 1.332e-02 5.147e-04 -5.775e-03 / CHEB/ -3.417e-02 5.531e-03 7.059e-03 5.966e-04 / CHEB/ -6.591e-02 -6.306e-04 1.918e-03 1.374e-03 / CHEB/ -1.672e-02 -1.166e-03 -1.164e-03 1.187e-04 /

4993.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.3	+5.9	+7.2	+7.8
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+6.9	+8.2	+8.8

Chebyshev(coeffs=[[3.13875,1.86098,-0.0473758,-0.031114],[4.24809,0.0935972,0.0347383,0.0316181],[0.529165,0.00879473,-0.0139407,-0.00596276],[-0.0216408,0.00892258,0.00419474,-0.00465674],[-0.0640236,-0.00049492,0.00469466,-8.9573e-05],[-0.0154774,-0.00267536,-0.000137691,0.000823555]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = 0.00

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(39); C7H10(38)(+M)=>C7H10(39)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.139e+00 1.861e+00 -4.738e-02 -3.111e-02 / CHEB/ 4.248e+00 9.360e-02 3.474e-02 3.162e-02 / CHEB/ 5.292e-01 8.795e-03 -1.394e-02 -5.963e-03 / CHEB/ -2.164e-02 8.923e-03 4.195e-03 -4.657e-03 / CHEB/ -6.402e-02 -4.949e-04 4.695e-03 -8.957e-05 / CHEB/ -1.548e-02 -2.675e-03 -1.377e-04 8.236e-04 /

4994.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-2.6	-0.7	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-9.3	-2.4	-0.2	+0.7

Chebyshev(coeffs=[[-8.90777,0.712858,-0.284888,0.0341448],[8.8215,0.522745,-0.0182548,-0.0574021],[0.141119,0.1636,0.0585452,-0.0191024],[-0.171459,0.118152,0.0351439,-0.00374156],[-0.100227,0.0911698,0.016069,-0.00412733],[-0.0383662,0.0426428,0.0109587,-0.0015744]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.66
S298 (cal/mol*K) = -1.85
G298 (kcal/mol) = 23.21

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(44); C7H10(38)(+M)=>H(25)+C7H9(44)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.908e+00 7.129e-01 -2.849e-01 3.414e-02 / CHEB/ 8.821e+00 5.227e-01 -1.825e-02 -5.740e-02 / CHEB/ 1.411e-01 1.636e-01 5.855e-02 -1.910e-02 / CHEB/ -1.715e-01 1.182e-01 3.514e-02 -3.742e-03 / CHEB/ -1.002e-01 9.117e-02 1.607e-02 -4.127e-03 / CHEB/ -3.837e-02 4.264e-02 1.096e-02 -1.574e-03 /

4995.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.4	-4.8	-2.1	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-14.1	-4.4	-1.4	-0.2

Chebyshev(coeffs=[[-13.8522,0.954183,-0.315978,0.00800189],[13.0274,0.481334,0.0522193,-0.0563558],[-0.0144079,0.135125,0.0672588,-0.00143582],[-0.218681,0.104454,0.0357506,0.00141928],[-0.116564,0.0789803,0.0194943,-0.0023952],[-0.0428776,0.0316446,0.011499,0.000376558]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.71
S298 (cal/mol*K) = 6.28
G298 (kcal/mol) = 35.84

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(45); C7H10(38)(+M)=>H(25)+C7H9(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.385e+01 9.542e-01 -3.160e-01 8.002e-03 / CHEB/ 1.303e+01 4.813e-01 5.222e-02 -5.636e-02 / CHEB/ -1.441e-02 1.351e-01 6.726e-02 -1.436e-03 / CHEB/ -2.187e-01 1.045e-01 3.575e-02 1.419e-03 / CHEB/ -1.166e-01 7.898e-02 1.949e-02 -2.395e-03 / CHEB/ -4.288e-02 3.164e-02 1.150e-02 3.766e-04 /

4996.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.7	-4.6	-2.1	-1.2
log₁₀(k(10 bar)/[mole,m,s])	-13.5	-4.2	-1.5	-0.3

Chebyshev(coeffs=[[-13.2467,0.924672,-0.314306,0.0120611],[12.3465,0.486969,0.0446448,-0.057979],[-0.0268184,0.138929,0.0669849,-0.00342804],[-0.22346,0.106746,0.0358253,0.000841342],[-0.118634,0.0810125,0.0191836,-0.00268749],[-0.0436305,0.0331454,0.0115853,0.000139709]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.66
S298 (cal/mol*K) = 5.36
G298 (kcal/mol) = 34.06

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(46); C7H10(38)(+M)=>H(25)+C7H9(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.325e+01 9.247e-01 -3.143e-01 1.206e-02 / CHEB/ 1.235e+01 4.870e-01 4.464e-02 -5.798e-02 / CHEB/ -2.682e-02 1.389e-01 6.698e-02 -3.428e-03 / CHEB/ -2.235e-01 1.067e-01 3.583e-02 8.413e-04 / CHEB/ -1.186e-01 8.101e-02 1.918e-02 -2.687e-03 / CHEB/ -4.363e-02 3.315e-02 1.159e-02 1.397e-04 /

4997.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.2	-8.7	-5.0	-3.6
log₁₀(k(10 bar)/[mole,m,s])	-20.8	-8.1	-4.3	-2.7

Chebyshev(coeffs=[[-20.4878,1.17013,-0.30976,-0.022596],[17.2421,0.439744,0.0982936,-0.038494],[-0.0535843,0.100284,0.0628495,0.0118227],[-0.234543,0.0794807,0.0326203,0.00585622],[-0.122294,0.0618665,0.020054,-0.000133878],[-0.0428523,0.0215938,0.00984511,0.00156294]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 51.76
S298 (cal/mol*K) = 3.65
G298 (kcal/mol) = 50.67

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(47); C7H10(38)(+M)=>H(25)+C7H9(47)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.049e+01 1.170e+00 -3.098e-01 -2.260e-02 / CHEB/ 1.724e+01 4.397e-01 9.829e-02 -3.849e-02 / CHEB/ -5.358e-02 1.003e-01 6.285e-02 1.182e-02 / CHEB/ -2.345e-01 7.948e-02 3.262e-02 5.856e-03 / CHEB/ -1.223e-01 6.187e-02 2.005e-02 -1.339e-04 / CHEB/ -4.285e-02 2.159e-02 9.845e-03 1.563e-03 /

4998.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	-0.7	+0.4	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-5.1	-0.6	+0.8	+1.4

Chebyshev(coeffs=[[-4.82633,0.536467,-0.248935,0.030174],[5.49292,0.554629,-0.064149,-0.0283758],[0.149646,0.182019,0.0389542,-0.032714],[-0.173492,0.120979,0.0331138,-0.00939978],[-0.0960705,0.0929644,0.0138571,-0.00449067],[-0.0358061,0.047692,0.00942611,-0.00259368]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.13
S298 (cal/mol*K) = -13.76
G298 (kcal/mol) = 9.23

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(48); C7H10(38)(+M)=>C7H10(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.826e+00 5.365e-01 -2.489e-01 3.017e-02 / CHEB/ 5.493e+00 5.546e-01 -6.415e-02 -2.838e-02 / CHEB/ 1.496e-01 1.820e-01 3.895e-02 -3.271e-02 / CHEB/ -1.735e-01 1.210e-01 3.311e-02 -9.400e-03 / CHEB/ -9.607e-02 9.296e-02 1.386e-02 -4.491e-03 / CHEB/ -3.581e-02 4.769e-02 9.426e-03 -2.594e-03 /

4999.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	-1.9	-0.1	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-8.3	-1.7	+0.4	+1.3

Chebyshev(coeffs=[[-7.94423,0.691298,-0.280519,0.0352836],[8.40636,0.525116,-0.0249398,-0.0556809],[0.137572,0.166292,0.0568011,-0.0207914],[-0.16951,0.119105,0.0348804,-0.00433873],[-0.0987958,0.0916366,0.0157703,-0.00421395],[-0.0383017,0.0433592,0.0108039,-0.00172519]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.13
S298 (cal/mol*K) = -13.76
G298 (kcal/mol) = 9.23

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(49); C7H10(38)(+M)=>C7H10(49)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.944e+00 6.913e-01 -2.805e-01 3.528e-02 / CHEB/ 8.406e+00 5.251e-01 -2.494e-02 -5.568e-02 / CHEB/ 1.376e-01 1.663e-01 5.680e-02 -2.079e-02 / CHEB/ -1.695e-01 1.191e-01 3.488e-02 -4.339e-03 / CHEB/ -9.880e-02 9.164e-02 1.577e-02 -4.214e-03 / CHEB/ -3.830e-02 4.336e-02 1.080e-02 -1.725e-03 /

5000.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.6	-1.3	+0.3	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-6.6	-1.1	+0.7	+1.6

Chebyshev(coeffs=[[-6.33543,0.620178,-0.263029,0.0351451],[7.05185,0.548288,-0.0471498,-0.046281],[0.133298,0.177511,0.0511596,-0.0269783],[-0.135573,0.119513,0.0355308,-0.00605583],[-0.029116,0.0911942,0.0153862,-0.00392624],[-0.0293136,0.0450668,0.0102799,-0.0019672]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.43
S298 (cal/mol*K) = -14.49
G298 (kcal/mol) = 4.75

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(50); C7H10(38)(+M)=>C7H10(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.335e+00 6.202e-01 -2.630e-01 3.515e-02 / CHEB/ 7.052e+00 5.483e-01 -4.715e-02 -4.628e-02 / CHEB/ 1.333e-01 1.775e-01 5.116e-02 -2.698e-02 / CHEB/ -1.356e-01 1.195e-01 3.553e-02 -6.056e-03 / CHEB/ -2.912e-02 9.119e-02 1.539e-02 -3.926e-03 / CHEB/ -2.931e-02 4.507e-02 1.028e-02 -1.967e-03 /

5001.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.8	-0.7	+0.1	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-3.8	-0.6	+0.4	+0.9

Chebyshev(coeffs=[[-3.55462,0.395796,-0.249208,0.012162],[3.66806,0.593962,-0.0512622,0.00688507],[0.165464,0.187274,0.0116243,-0.0362304],[-0.155305,0.120947,0.0252609,-0.0160576],[-0.0842803,0.0927861,0.0136512,-0.00558127],[-0.0297069,0.0493958,0.00883641,-0.0030422]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.43
S298 (cal/mol*K) = -14.49
G298 (kcal/mol) = 4.75

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(51); C7H10(38)(+M)=>C7H10(51)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.555e+00 3.958e-01 -2.492e-01 1.216e-02 / CHEB/ 3.668e+00 5.940e-01 -5.126e-02 6.885e-03 / CHEB/ 1.655e-01 1.873e-01 1.162e-02 -3.623e-02 / CHEB/ -1.553e-01 1.209e-01 2.526e-02 -1.606e-02 / CHEB/ -8.428e-02 9.279e-02 1.365e-02 -5.581e-03 / CHEB/ -2.971e-02 4.940e-02 8.836e-03 -3.042e-03 /

5002.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	-0.7	+0.2	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-4.4	-0.7	+0.5	+0.8

Chebyshev(coeffs=[[-3.9386,0.337207,-0.229193,0.00263615],[4.08641,0.512496,-0.047293,-0.00451184],[0.241467,0.199269,-0.0014648,-0.0326067],[-0.219287,0.182091,0.0131343,-0.00668805],[-0.147083,0.131348,0.0146705,-0.00128165],[-0.064482,0.047576,0.0173337,-0.00122346]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.03
S298 (cal/mol*K) = -14.49
G298 (kcal/mol) = 6.35

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(52); C7H10(38)(+M)=>C7H10(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.939e+00 3.372e-01 -2.292e-01 2.636e-03 / CHEB/ 4.086e+00 5.125e-01 -4.729e-02 -4.512e-03 / CHEB/ 2.415e-01 1.993e-01 -1.465e-03 -3.261e-02 / CHEB/ -2.193e-01 1.821e-01 1.313e-02 -6.688e-03 / CHEB/ -1.471e-01 1.313e-01 1.467e-02 -1.282e-03 / CHEB/ -6.448e-02 4.758e-02 1.733e-02 -1.223e-03 /

5003.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.9	+2.8	+3.7	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-0.9	+2.8	+4.1	+4.6

Chebyshev(coeffs=[[-0.580994,0.434391,-0.247847,0.0165068],[4.34971,0.594805,-0.0564555,-0.00119963],[0.236324,0.178593,0.017936,-0.0379327],[-0.158963,0.123014,0.030568,-0.0134666],[-0.0846766,0.0932136,0.0135204,-0.00484942],[-0.029838,0.0486762,0.00867325,-0.00297276]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.70
S298 (cal/mol*K) = -4.88
G298 (kcal/mol) = 5.15

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(53); C7H10(38)(+M)=>C7H10(53)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.810e-01 4.344e-01 -2.478e-01 1.651e-02 / CHEB/ 4.350e+00 5.948e-01 -5.646e-02 -1.200e-03 / CHEB/ 2.363e-01 1.786e-01 1.794e-02 -3.793e-02 / CHEB/ -1.590e-01 1.230e-01 3.057e-02 -1.347e-02 / CHEB/ -8.468e-02 9.321e-02 1.352e-02 -4.849e-03 / CHEB/ -2.984e-02 4.868e-02 8.673e-03 -2.973e-03 /

5004.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	+0.1	+1.9	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+0.4	+2.6	+3.6

Chebyshev(coeffs=[[-5.34155,0.745739,-0.222327,0.0423941],[7.78429,0.712594,0.0300476,-0.0381602],[0.36029,0.244392,0.0843025,-0.0203257],[-0.109372,0.107128,0.030316,-0.00513143],[-0.0929259,0.043852,-0.00457351,-0.00533947],[-0.0446875,0.00113089,-0.00604277,-0.00237677]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.03
S298 (cal/mol*K) = -4.15
G298 (kcal/mol) = 16.26

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(54); C7H10(38)(+M)=>C7H10(54)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.342e+00 7.457e-01 -2.223e-01 4.239e-02 / CHEB/ 7.784e+00 7.126e-01 3.005e-02 -3.816e-02 / CHEB/ 3.603e-01 2.444e-01 8.430e-02 -2.033e-02 / CHEB/ -1.094e-01 1.071e-01 3.032e-02 -5.131e-03 / CHEB/ -9.293e-02 4.385e-02 -4.574e-03 -5.339e-03 / CHEB/ -4.469e-02 1.131e-03 -6.043e-03 -2.377e-03 /

5005.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.9	+1.6	+2.8	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-2.9	+1.7	+3.2	+3.9

Chebyshev(coeffs=[[-2.47326,0.511784,-0.245355,0.0253362],[5.44528,0.577055,-0.0646522,-0.0201972],[0.290689,0.185854,0.0354643,-0.0354021],[-0.154026,0.122408,0.0343185,-0.0102873],[-0.0947712,0.0934035,0.014381,-0.00413231],[-0.0365026,0.047996,0.00954127,-0.00242628]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.12
S298 (cal/mol*K) = -8.99
G298 (kcal/mol) = 9.80

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(55); C7H10(38)(+M)=>C7H10(55)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.473e+00 5.118e-01 -2.454e-01 2.534e-02 / CHEB/ 5.445e+00 5.771e-01 -6.465e-02 -2.020e-02 / CHEB/ 2.907e-01 1.859e-01 3.546e-02 -3.540e-02 / CHEB/ -1.540e-01 1.224e-01 3.432e-02 -1.029e-02 / CHEB/ -9.477e-02 9.340e-02 1.438e-02 -4.132e-03 / CHEB/ -3.650e-02 4.800e-02 9.541e-03 -2.426e-03 /

5006.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-0.3	+2.1	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-8.4	+0.1	+2.7	+3.9

Chebyshev(coeffs=[[-8.05996,0.851967,-0.306023,0.0214933],[11.1396,0.508989,0.0245307,-0.0611146],[0.110174,0.149857,0.06675,-0.00862889],[-0.167364,0.111094,0.0363951,-0.000211951],[-0.105356,0.084368,0.0183337,-0.00298283],[-0.0288092,0.0357138,0.0116378,-0.000265745]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.34
S298 (cal/mol*K) = -3.25
G298 (kcal/mol) = 11.30

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(56); C7H10(38)(+M)=>C7H10(56)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.060e+00 8.520e-01 -3.060e-01 2.149e-02 / CHEB/ 1.114e+01 5.090e-01 2.453e-02 -6.111e-02 / CHEB/ 1.102e-01 1.499e-01 6.675e-02 -8.629e-03 / CHEB/ -1.674e-01 1.111e-01 3.640e-02 -2.120e-04 / CHEB/ -1.054e-01 8.437e-02 1.833e-02 -2.983e-03 / CHEB/ -2.881e-02 3.571e-02 1.164e-02 -2.657e-04 /

5007.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.2	+1.0	+3.4	+4.4
log₁₀(k(10 bar)/[mole,m,s])	-6.2	+1.7	+4.3	+5.4

Chebyshev(coeffs=[[-5.1788,0.813847,-0.155956,0.00913739],[9.11521,0.99248,-0.0117502,-0.0408573],[0.661104,0.267119,0.100899,-0.0204238],[-0.0868933,-0.0442568,0.0568797,0.0189871],[-0.107824,-0.0810198,-0.0066569,0.0184398],[-0.0353122,-0.035636,-0.0229367,0.00128553]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 8.75
S298 (cal/mol*K) = 0.23
G298 (kcal/mol) = 8.68

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(209); C7H10(38)(+M)=>H(25)+C7H9(209)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.179e+00 8.138e-01 -1.560e-01 9.137e-03 / CHEB/ 9.115e+00 9.925e-01 -1.175e-02 -4.086e-02 / CHEB/ 6.611e-01 2.671e-01 1.009e-01 -2.042e-02 / CHEB/ -8.689e-02 -4.426e-02 5.688e-02 1.899e-02 / CHEB/ -1.078e-01 -8.102e-02 -6.657e-03 1.844e-02 / CHEB/ -3.531e-02 -3.564e-02 -2.294e-02 1.286e-03 /

5008.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-2.4	+0.9	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-1.5	+1.9	+3.6

Chebyshev(coeffs=[[-10.6275,1.04001,-0.202856,0.0142794],[12.5867,0.892154,0.0822111,-0.0595708],[0.700558,0.15526,0.107157,0.00638487],[-0.0240827,-0.0702483,0.0206864,0.0259915],[-0.0609265,-0.0654988,-0.0245563,0.00758252],[-0.0197237,-0.0198334,-0.0189741,-0.00611358]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.15
S298 (cal/mol*K) = 7.23
G298 (kcal/mol) = 30.00

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(208); C7H10(38)(+M)=>H(25)+C7H9(208)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.063e+01 1.040e+00 -2.029e-01 1.428e-02 / CHEB/ 1.259e+01 8.922e-01 8.221e-02 -5.957e-02 / CHEB/ 7.006e-01 1.553e-01 1.072e-01 6.385e-03 / CHEB/ -2.408e-02 -7.025e-02 2.069e-02 2.599e-02 / CHEB/ -6.093e-02 -6.550e-02 -2.456e-02 7.583e-03 / CHEB/ -1.972e-02 -1.983e-02 -1.897e-02 -6.114e-03 /

5009.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-2.4	+0.9	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-1.5	+1.9	+3.6

H298 (kcal/mol) = 32.15
S298 (cal/mol*K) = 7.23
G298 (kcal/mol) = 30.00

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(207); C7H10(38)(+M)=>H(25)+C7H9(207)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.063e+01 1.040e+00 -2.029e-01 1.428e-02 / CHEB/ 1.259e+01 8.922e-01 8.221e-02 -5.957e-02 / CHEB/ 7.006e-01 1.553e-01 1.072e-01 6.385e-03 / CHEB/ -2.408e-02 -7.025e-02 2.069e-02 2.599e-02 / CHEB/ -6.093e-02 -6.550e-02 -2.456e-02 7.583e-03 / CHEB/ -1.972e-02 -1.983e-02 -1.897e-02 -6.114e-03 /

5010.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.2	-2.9	+0.0	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-11.1	-2.1	+1.0	+2.4

Chebyshev(coeffs=[[-10.0769,0.932301,-0.178377,0.0134598],[10.8885,0.963329,0.034497,-0.0526893],[0.730374,0.194176,0.112456,-0.00701564],[-0.0449129,-0.0665211,0.0358754,0.0260417],[-0.0673474,-0.0733746,-0.0199955,0.0129927],[-0.0207508,-0.0249277,-0.0218523,-0.00405859]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.18
S298 (cal/mol*K) = -13.47
G298 (kcal/mol) = 3.83

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(324); C7H10(38)(+M)=>C7H10(324)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.008e+01 9.323e-01 -1.784e-01 1.346e-02 / CHEB/ 1.089e+01 9.633e-01 3.450e-02 -5.269e-02 / CHEB/ 7.304e-01 1.942e-01 1.125e-01 -7.016e-03 / CHEB/ -4.491e-02 -6.652e-02 3.588e-02 2.604e-02 / CHEB/ -6.735e-02 -7.337e-02 -2.000e-02 1.299e-02 / CHEB/ -2.075e-02 -2.493e-02 -2.185e-02 -4.059e-03 /

5011.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.2	+3.6	+5.9	+6.9
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+4.3	+6.8	+7.9

Chebyshev(coeffs=[[-2.27321,0.804041,-0.154921,0.00890766],[8.72564,0.990731,-0.014978,-0.0402021],[0.577283,0.27439,0.0988951,-0.0213889],[-0.0660838,-0.0403929,0.0582877,0.0180362],[-0.075785,-0.081617,-0.00492619,0.0187226],[-0.0187224,-0.0371682,-0.0225981,0.00192087]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.81
S298 (cal/mol*K) = 0.78
G298 (kcal/mol) = 5.57

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(115); C7H10(38)(+M)=>C7H10(115)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.273e+00 8.040e-01 -1.549e-01 8.908e-03 / CHEB/ 8.726e+00 9.907e-01 -1.498e-02 -4.020e-02 / CHEB/ 5.773e-01 2.744e-01 9.890e-02 -2.139e-02 / CHEB/ -6.608e-02 -4.039e-02 5.829e-02 1.804e-02 / CHEB/ -7.579e-02 -8.162e-02 -4.926e-03 1.872e-02 / CHEB/ -1.872e-02 -3.717e-02 -2.260e-02 1.921e-03 /

5012.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.7	+6.3	+7.7	+8.2
log₁₀(k(10 bar)/[mole,m,s])	+0.7	+6.9	+8.6	+9.2

Chebyshev(coeffs=[[1.78028,0.423971,-0.0971348,-0.0406309],[6.13883,1.36376,-0.108784,0.0374284],[0.69879,0.187966,0.0625846,-0.0562992],[-0.385184,-0.026632,0.105465,0.00729893],[-0.0707121,0.00876719,-0.00349412,0.0214838],[0.0164226,-0.0731054,-0.0231647,0.00539902]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.83
S298 (cal/mol*K) = -3.18
G298 (kcal/mol) = -18.89

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(108); C7H10(38)(+M)=>C7H10(108)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.780e+00 4.240e-01 -9.713e-02 -4.063e-02 / CHEB/ 6.139e+00 1.364e+00 -1.088e-01 3.743e-02 / CHEB/ 6.988e-01 1.880e-01 6.258e-02 -5.630e-02 / CHEB/ -3.852e-01 -2.663e-02 1.055e-01 7.299e-03 / CHEB/ -7.071e-02 8.767e-03 -3.494e-03 2.148e-02 / CHEB/ 1.642e-02 -7.311e-02 -2.316e-02 5.399e-03 /

5013.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.8	+2.2	+5.0	+6.3
log₁₀(k(10 bar)/[mole,m,s])	-5.7	+3.0	+5.9	+7.2

Chebyshev(coeffs=[[-4.67202,0.910216,-0.173336,0.0126899],[10.3674,0.974209,0.0249606,-0.0504537],[0.693018,0.205119,0.111912,-0.00977867],[-0.0587205,-0.0649931,0.0396507,0.0254038],[-0.0725341,-0.0751041,-0.0184324,0.0141529],[-0.0218847,-0.0261859,-0.0224281,-0.00335833]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.18
S298 (cal/mol*K) = 4.97
G298 (kcal/mol) = 17.69

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(88); C7H10(38)(+M)=>C7H10(88)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.672e+00 9.102e-01 -1.733e-01 1.269e-02 / CHEB/ 1.037e+01 9.742e-01 2.496e-02 -5.045e-02 / CHEB/ 6.930e-01 2.051e-01 1.119e-01 -9.779e-03 / CHEB/ -5.872e-02 -6.499e-02 3.965e-02 2.540e-02 / CHEB/ -7.253e-02 -7.510e-02 -1.843e-02 1.415e-02 / CHEB/ -2.188e-02 -2.619e-02 -2.243e-02 -3.358e-03 /

5014.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.3	+3.7	+6.5	+8.0
log₁₀(k(10 bar)/[mole,m,s])	-4.2	+4.5	+7.5	+8.9

Chebyshev(coeffs=[[-3.05836,0.896326,-0.16821,0.011503],[10.2531,0.987419,0.0178801,-0.047674],[0.817445,0.208403,0.112943,-0.0117467],[-0.0144409,-0.0655384,0.0412473,0.0253256],[-0.0828147,-0.0765315,-0.0183118,0.014777],[-0.00211383,-0.0270709,-0.0227613,-0.00313875]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.17
S298 (cal/mol*K) = -1.00
G298 (kcal/mol) = 0.47

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(332); C7H10(38)(+M)=>C7H10(332)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.058e+00 8.963e-01 -1.682e-01 1.150e-02 / CHEB/ 1.025e+01 9.874e-01 1.788e-02 -4.767e-02 / CHEB/ 8.174e-01 2.084e-01 1.129e-01 -1.175e-02 / CHEB/ -1.444e-02 -6.554e-02 4.125e-02 2.533e-02 / CHEB/ -8.281e-02 -7.653e-02 -1.831e-02 1.478e-02 / CHEB/ -2.114e-03 -2.707e-02 -2.276e-02 -3.139e-03 /

5015.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.7	+4.7	+6.1	+6.6
log₁₀(k(10 bar)/[mole,m,s])	-0.7	+5.3	+7.0	+7.5

Chebyshev(coeffs=[[-0.286649,0.712428,-0.153268,0.00870681],[7.00133,0.936751,-0.0422162,-0.0362894],[0.0811428,0.334308,0.0752764,-0.0288098],[-0.16284,0.0144511,0.0665376,0.00719888],[-0.0967643,-0.0685378,0.0135363,0.0175055],[-0.0179255,-0.0476101,-0.0146102,0.00734871]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -52.36
S298 (cal/mol*K) = -11.75
G298 (kcal/mol) = -48.86

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(333); C7H10(38)(+M)=>C7H10(333)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.866e-01 7.124e-01 -1.533e-01 8.707e-03 / CHEB/ 7.001e+00 9.368e-01 -4.222e-02 -3.629e-02 / CHEB/ 8.114e-02 3.343e-01 7.528e-02 -2.881e-02 / CHEB/ -1.628e-01 1.445e-02 6.654e-02 7.199e-03 / CHEB/ -9.676e-02 -6.854e-02 1.354e-02 1.751e-02 / CHEB/ -1.793e-02 -4.761e-02 -1.461e-02 7.349e-03 /

5016.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-4.6	-1.6	-0.2
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-3.8	-0.6	+0.8

Chebyshev(coeffs=[[-12.9817,1.11394,-0.216558,0.0108623],[12.5647,0.834848,0.111795,-0.0581408],[0.405873,0.134537,0.100089,0.0137331],[-0.0891125,-0.0700213,0.0118167,0.0242667],[-0.0813966,-0.0606457,-0.0258188,0.00425634],[-0.0278514,-0.0168889,-0.0168998,-0.00680347]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.67
S298 (cal/mol*K) = -15.87
G298 (kcal/mol) = 4.06

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(334); C7H10(38)(+M)=>C7H10(334)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.298e+01 1.114e+00 -2.166e-01 1.086e-02 / CHEB/ 1.256e+01 8.348e-01 1.118e-01 -5.814e-02 / CHEB/ 4.059e-01 1.345e-01 1.001e-01 1.373e-02 / CHEB/ -8.911e-02 -7.002e-02 1.182e-02 2.427e-02 / CHEB/ -8.140e-02 -6.065e-02 -2.582e-02 4.256e-03 / CHEB/ -2.785e-02 -1.689e-02 -1.690e-02 -6.803e-03 /

5017.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.1	+4.2	+5.6	+6.1
log₁₀(k(10 bar)/[mole,m,s])	-1.1	+4.8	+6.5	+7.0

Chebyshev(coeffs=[[-0.685926,0.741629,-0.152495,0.00857901],[6.86028,0.959762,-0.033414,-0.037278],[0.115755,0.319316,0.0833453,-0.0265958],[-0.160651,-0.00492863,0.06536,0.0108024],[-0.100603,-0.0759596,0.00785697,0.0185566],[-0.022634,-0.0456777,-0.0180615,0.00590226]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.98
S298 (cal/mol*K) = -12.47
G298 (kcal/mol) = -4.26

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(335); C7H10(38)(+M)=>C7H10(335)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.859e-01 7.416e-01 -1.525e-01 8.579e-03 / CHEB/ 6.860e+00 9.598e-01 -3.341e-02 -3.728e-02 / CHEB/ 1.158e-01 3.193e-01 8.335e-02 -2.660e-02 / CHEB/ -1.607e-01 -4.929e-03 6.536e-02 1.080e-02 / CHEB/ -1.006e-01 -7.596e-02 7.857e-03 1.856e-02 / CHEB/ -2.263e-02 -4.568e-02 -1.806e-02 5.902e-03 /

5018.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+7.8	+9.2	+9.3	+9.1
log₁₀(k(10 bar)/[mole,m,s])	+8.5	+9.9	+10.1	+10.0

Chebyshev(coeffs=[[7.97039,1.39916,-0.0633515,-0.073713],[1.33839,0.182918,-0.0605059,0.078884],[-0.0447778,0.15255,-0.0287999,-0.0168655],[-0.141821,0.0583834,0.0194541,-0.0270525],[-0.0933206,0.0088745,0.0307548,-0.000905866],[-0.0256966,-0.00539326,0.0104343,0.00877117]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -14.11
S298 (cal/mol*K) = -11.03
G298 (kcal/mol) = -10.83

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(57); C7H10(38)(+M)=>C7H10(57)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.970e+00 1.399e+00 -6.335e-02 -7.371e-02 / CHEB/ 1.338e+00 1.829e-01 -6.051e-02 7.888e-02 / CHEB/ -4.478e-02 1.526e-01 -2.880e-02 -1.687e-02 / CHEB/ -1.418e-01 5.838e-02 1.945e-02 -2.705e-02 / CHEB/ -9.332e-02 8.874e-03 3.075e-02 -9.059e-04 / CHEB/ -2.570e-02 -5.393e-03 1.043e-02 8.771e-03 /

5019.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.0	+3.5	+4.9	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-1.9	+4.1	+5.7	+6.2

Chebyshev(coeffs=[[-1.68691,0.758275,-0.450212,-0.0784596],[7.02729,0.944265,0.22733,-0.0177346],[0.245595,0.0777,0.0567072,0.0115383],[-0.201554,-0.0679222,-0.00422465,0.00843877],[-0.140285,-0.0112217,0.000344039,0.0061601],[-0.0464056,0.0182624,0.00567615,0.00243726]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.37
S298 (cal/mol*K) = -0.74
G298 (kcal/mol) = 14.59

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(58); C7H10(38)(+M)=>C7H10(58)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.687e+00 7.583e-01 -4.502e-01 -7.846e-02 / CHEB/ 7.027e+00 9.443e-01 2.273e-01 -1.773e-02 / CHEB/ 2.456e-01 7.770e-02 5.671e-02 1.154e-02 / CHEB/ -2.016e-01 -6.792e-02 -4.225e-03 8.439e-03 / CHEB/ -1.403e-01 -1.122e-02 3.440e-04 6.160e-03 / CHEB/ -4.641e-02 1.826e-02 5.676e-03 2.437e-03 /

5020.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.5	-0.8	+1.5	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-7.9	+0.0	+2.4	+3.4

Chebyshev(coeffs=[[-7.73074,1.56187,-0.167848,-0.0144668],[10.1071,0.271811,0.0480691,-0.042153],[0.290859,0.0810147,0.0522574,0.0147828],[-0.145199,-0.00123236,0.0136898,0.0151726],[-0.117802,-0.00188811,0.0014347,0.00430003],[-0.0397517,0.00507068,0.000265331,-0.00139239]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -9.50
S298 (cal/mol*K) = -4.78
G298 (kcal/mol) = -8.08

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(59); C7H10(38)(+M)=>C7H10(59)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.731e+00 1.562e+00 -1.678e-01 -1.447e-02 / CHEB/ 1.011e+01 2.718e-01 4.807e-02 -4.215e-02 / CHEB/ 2.909e-01 8.101e-02 5.226e-02 1.478e-02 / CHEB/ -1.452e-01 -1.232e-03 1.369e-02 1.517e-02 / CHEB/ -1.178e-01 -1.888e-03 1.435e-03 4.300e-03 / CHEB/ -3.975e-02 5.071e-03 2.653e-04 -1.392e-03 /

5021.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.4	+5.0	+6.7	+7.4
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+5.8	+7.6	+8.3

Chebyshev(coeffs=[[0.531773,1.47776,-0.0920724,0.00151156],[6.47421,0.300016,-0.0653824,-0.0418361],[0.535436,0.119258,0.0610221,-0.0143579],[-0.0944823,0.00684967,0.0361794,0.0185599],[-0.104861,-0.00754346,0.00503761,0.0135987],[-0.0353515,0.00162082,-0.00364893,0.000149598]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.07
S298 (cal/mol*K) = 16.42
G298 (kcal/mol) = 5.18

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(60); C7H10(38)(+M)=>H(25)+C7H9(60)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.318e-01 1.478e+00 -9.207e-02 1.512e-03 / CHEB/ 6.474e+00 3.000e-01 -6.538e-02 -4.184e-02 / CHEB/ 5.354e-01 1.193e-01 6.102e-02 -1.436e-02 / CHEB/ -9.448e-02 6.850e-03 3.618e-02 1.856e-02 / CHEB/ -1.049e-01 -7.543e-03 5.038e-03 1.360e-02 / CHEB/ -3.535e-02 1.621e-03 -3.649e-03 1.496e-04 /

5022.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-1.2	+2.9	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-13.1	-0.3	+3.8	+5.7

Chebyshev(coeffs=[[-12.6346,1.7227,-0.156803,-0.0568151],[17.2421,0.179425,0.0886231,0.0195128],[0.321038,0.0535413,0.0336185,0.0151241],[-0.133035,-0.00404927,0.00189345,0.00475688],[-0.104119,0.00036851,0.00034221,0.000404444],[-0.027136,0.00137201,0.000139421,-0.000544673]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.05
S298 (cal/mol*K) = 23.62
G298 (kcal/mol) = 40.01

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(61); C7H10(38)(+M)=>H(25)+C7H9(61)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.263e+01 1.723e+00 -1.568e-01 -5.682e-02 / CHEB/ 1.724e+01 1.794e-01 8.862e-02 1.951e-02 / CHEB/ 3.210e-01 5.354e-02 3.362e-02 1.512e-02 / CHEB/ -1.330e-01 -4.049e-03 1.893e-03 4.757e-03 / CHEB/ -1.041e-01 3.685e-04 3.422e-04 4.044e-04 / CHEB/ -2.714e-02 1.372e-03 1.394e-04 -5.447e-04 /

5023.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.2	+4.9	+6.8	+7.5
log₁₀(k(10 bar)/[mole,m,s])	-0.6	+5.7	+7.7	+8.5

Chebyshev(coeffs=[[-0.436176,1.50306,-0.128272,0.00441629],[7.73596,0.297072,-0.016927,-0.0561032],[0.407998,0.102125,0.0609268,0.000849661],[-0.109239,0.0022391,0.0254937,0.0190514],[-0.104905,-0.00549446,0.00277081,0.00939175],[-0.033076,0.00341075,-0.00186917,-0.00112796]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.03
S298 (cal/mol*K) = 31.47
G298 (kcal/mol) = 6.65

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C2H4(115); C7H10(38), C5H6(62); C7H10(38)(+M)=>C2H4(115)+C5H6(62)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.362e-01 1.503e+00 -1.283e-01 4.416e-03 / CHEB/ 7.736e+00 2.971e-01 -1.693e-02 -5.610e-02 / CHEB/ 4.080e-01 1.021e-01 6.093e-02 8.497e-04 / CHEB/ -1.092e-01 2.239e-03 2.549e-02 1.905e-02 / CHEB/ -1.049e-01 -5.494e-03 2.771e-03 9.392e-03 / CHEB/ -3.308e-02 3.411e-03 -1.869e-03 -1.128e-03 /

5024.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.0	+6.8	+7.9	+8.3
log₁₀(k(10 bar)/[mole,m,s])	+3.6	+7.5	+8.8	+9.2

Chebyshev(coeffs=[[3.83906,1.44333,-0.0580534,-0.0373819],[4.08367,0.268069,-0.0958281,0.028592],[0.522277,0.144238,0.0193754,-0.0425932],[-0.105284,0.025936,0.0535146,0.00364612],[-0.104485,-0.00839233,0.0182188,0.0191697],[-0.0325097,-0.00276624,-0.00492087,0.00581002]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -34.72
S298 (cal/mol*K) = -7.81
G298 (kcal/mol) = -32.40

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(63); C7H10(38)(+M)=>C7H10(63)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.839e+00 1.443e+00 -5.805e-02 -3.738e-02 / CHEB/ 4.084e+00 2.681e-01 -9.583e-02 2.859e-02 / CHEB/ 5.223e-01 1.442e-01 1.938e-02 -4.259e-02 / CHEB/ -1.053e-01 2.594e-02 5.351e-02 3.646e-03 / CHEB/ -1.045e-01 -8.392e-03 1.822e-02 1.917e-02 / CHEB/ -3.251e-02 -2.766e-03 -4.921e-03 5.810e-03 /

5025.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.7	+2.0	+4.8	+6.0
log₁₀(k(10 bar)/[mole,m,s])	-6.1	+2.9	+5.7	+6.9

Chebyshev(coeffs=[[-5.76446,1.59846,-0.17299,-0.0264245],[11.5607,0.262738,0.0698168,-0.0280089],[0.400318,0.0718418,0.0491288,0.0191839],[-0.116447,-0.00352001,0.00917787,0.0125735],[-0.108009,-0.00123323,0.000489428,0.00234603],[-0.0356484,0.00466723,0.000594103,-0.0012753]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.78
S298 (cal/mol*K) = 0.60
G298 (kcal/mol) = 9.60

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(64); C7H10(38)(+M)=>C7H10(64)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.764e+00 1.598e+00 -1.730e-01 -2.642e-02 / CHEB/ 1.156e+01 2.627e-01 6.982e-02 -2.801e-02 / CHEB/ 4.003e-01 7.184e-02 4.913e-02 1.918e-02 / CHEB/ -1.164e-01 -3.520e-03 9.178e-03 1.257e-02 / CHEB/ -1.080e-01 -1.233e-03 4.894e-04 2.346e-03 / CHEB/ -3.565e-02 4.667e-03 5.941e-04 -1.275e-03 /

5026.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	+2.5	+4.9	+5.8
log₁₀(k(10 bar)/[mole,m,s])	-4.4	+3.3	+5.8	+6.8

Chebyshev(coeffs=[[-4.1763,1.55302,-0.16131,-0.00990342],[9.80996,0.282745,0.0394891,-0.0468668],[0.393431,0.0838952,0.0556149,0.014257],[-0.12275,-0.00181414,0.0150226,0.0164249],[-0.114898,-0.002766,0.00102415,0.00468818],[-0.0375569,0.00475244,-0.000197859,-0.00163058]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.32
S298 (cal/mol*K) = -2.19
G298 (kcal/mol) = -10.67

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(65); C7H10(38)(+M)=>C7H10(65)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.176e+00 1.553e+00 -1.613e-01 -9.903e-03 / CHEB/ 9.810e+00 2.827e-01 3.949e-02 -4.687e-02 / CHEB/ 3.934e-01 8.390e-02 5.561e-02 1.426e-02 / CHEB/ -1.228e-01 -1.814e-03 1.502e-02 1.642e-02 / CHEB/ -1.149e-01 -2.766e-03 1.024e-03 4.688e-03 / CHEB/ -3.756e-02 4.752e-03 -1.979e-04 -1.631e-03 /

5027.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.9	-2.0	+1.7	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-1.1	+2.7	+4.3

Chebyshev(coeffs=[[-12.8107,1.70469,-0.162965,-0.0554706],[16.16,0.189503,0.0891889,0.0152591],[0.264381,0.0556254,0.0351222,0.0158081],[-0.144201,-0.00340469,0.00281528,0.0055605],[-0.103371,0.000766147,0.000689749,0.000689807],[-0.0316407,0.00236202,0.000608519,-0.000444846]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.58
S298 (cal/mol*K) = -0.50
G298 (kcal/mol) = 0.73

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(66); C7H10(38)(+M)=>C7H10(66)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.281e+01 1.705e+00 -1.630e-01 -5.547e-02 / CHEB/ 1.616e+01 1.895e-01 8.919e-02 1.526e-02 / CHEB/ 2.644e-01 5.563e-02 3.512e-02 1.581e-02 / CHEB/ -1.442e-01 -3.405e-03 2.815e-03 5.560e-03 / CHEB/ -1.034e-01 7.661e-04 6.897e-04 6.898e-04 / CHEB/ -3.164e-02 2.362e-03 6.085e-04 -4.448e-04 /

5028.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.9	-6.8	-0.7	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-25.1	-5.9	+0.3	+3.2

Chebyshev(coeffs=[[-24.2361,1.81983,-0.112063,-0.0505001],[26.4664,0.115437,0.0674712,0.0262236],[0.185374,0.04074,0.0252378,0.0112398],[-0.156668,-0.0102481,-0.00415266,0.000237769],[-0.0938553,-0.0029557,-0.0019823,-0.000997963],[-0.0121963,-0.00152575,-0.0013562,-0.000989673]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.52
S298 (cal/mol*K) = -3.29
G298 (kcal/mol) = -19.55

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(67); C7H10(38)(+M)=>C7H10(67)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.424e+01 1.820e+00 -1.121e-01 -5.050e-02 / CHEB/ 2.647e+01 1.154e-01 6.747e-02 2.622e-02 / CHEB/ 1.854e-01 4.074e-02 2.524e-02 1.124e-02 / CHEB/ -1.567e-01 -1.025e-02 -4.153e-03 2.378e-04 / CHEB/ -9.386e-02 -2.956e-03 -1.982e-03 -9.980e-04 / CHEB/ -1.220e-02 -1.526e-03 -1.356e-03 -9.897e-04 /

5029.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	+1.9	+4.3	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-5.1	+2.7	+5.2	+6.2

Chebyshev(coeffs=[[-4.88346,1.55643,-0.16303,-0.0112499],[9.9484,0.280667,0.0425859,-0.0454784],[0.379492,0.082969,0.0548872,0.0147015],[-0.125552,-0.00186117,0.0145058,0.0160974],[-0.112227,-0.00264878,0.00105963,0.00451876],[-0.039062,0.00482706,-0.000115998,-0.00161288]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.58
S298 (cal/mol*K) = -0.50
G298 (kcal/mol) = 0.73

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(68); C7H10(38)(+M)=>C7H10(68)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.883e+00 1.556e+00 -1.630e-01 -1.125e-02 / CHEB/ 9.948e+00 2.807e-01 4.259e-02 -4.548e-02 / CHEB/ 3.795e-01 8.297e-02 5.489e-02 1.470e-02 / CHEB/ -1.256e-01 -1.861e-03 1.451e-02 1.610e-02 / CHEB/ -1.122e-01 -2.649e-03 1.060e-03 4.519e-03 / CHEB/ -3.906e-02 4.827e-03 -1.160e-04 -1.613e-03 /

5030.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.6	+5.2	+6.3	+6.6
log₁₀(k(10 bar)/[mole,m,s])	+2.2	+5.9	+7.1	+7.5

Chebyshev(coeffs=[[2.37718,1.44489,-0.0612641,-0.0393092],[3.8901,0.258981,-0.0901487,0.032444],[0.506744,0.146122,0.0137278,-0.0430053],[-0.106538,0.0275807,0.0537656,0.0011353],[-0.105093,-0.00774302,0.0199785,0.0192307],[-0.0322305,-0.00305584,-0.00480064,0.00646864]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -20.52
S298 (cal/mol*K) = -3.29
G298 (kcal/mol) = -19.55

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(69); C7H10(38)(+M)=>C7H10(69)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.377e+00 1.445e+00 -6.126e-02 -3.931e-02 / CHEB/ 3.890e+00 2.590e-01 -9.015e-02 3.244e-02 / CHEB/ 5.067e-01 1.461e-01 1.373e-02 -4.301e-02 / CHEB/ -1.065e-01 2.758e-02 5.377e-02 1.135e-03 / CHEB/ -1.051e-01 -7.743e-03 1.998e-02 1.923e-02 / CHEB/ -3.223e-02 -3.056e-03 -4.801e-03 6.469e-03 /

5031.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	+2.9	+4.9	+5.7
log₁₀(k(10 bar)/[mole,m,s])	-2.8	+3.7	+5.8	+6.6

Chebyshev(coeffs=[[-2.54662,1.50721,-0.129959,0.00373974],[7.97449,0.299014,-0.0129786,-0.0560775],[0.451582,0.100959,0.0619423,0.00229655],[-0.111174,0.00162067,0.0246889,0.0193011],[-0.110987,-0.0052852,0.00237413,0.00891043],[-0.0372905,0.00358898,-0.00187472,-0.00135776]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.78
S298 (cal/mol*K) = 0.60
G298 (kcal/mol) = 9.60

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(70); C7H10(38)(+M)=>C7H10(70)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.547e+00 1.507e+00 -1.300e-01 3.740e-03 / CHEB/ 7.974e+00 2.990e-01 -1.298e-02 -5.608e-02 / CHEB/ 4.516e-01 1.010e-01 6.194e-02 2.297e-03 / CHEB/ -1.112e-01 1.621e-03 2.469e-02 1.930e-02 / CHEB/ -1.110e-01 -5.285e-03 2.374e-03 8.910e-03 / CHEB/ -3.729e-02 3.589e-03 -1.875e-03 -1.358e-03 /

5032.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.2	+2.0	+3.3	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-1.6	+2.8	+4.2	+4.6

Chebyshev(coeffs=[[-1.35707,1.45417,-0.0629184,-0.0198856],[4.76233,0.273499,-0.0985012,0.00089582],[0.50302,0.138557,0.0373443,-0.0353929],[-0.110992,0.0186911,0.0492799,0.00980332],[-0.108058,-0.0080541,0.0128705,0.017838],[-0.0347024,-0.000975126,-0.00472429,0.00390815]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.98
S298 (cal/mol*K) = -6.90
G298 (kcal/mol) = -9.93

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(71); C7H10(38)(+M)=>C7H10(71)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.357e+00 1.454e+00 -6.292e-02 -1.989e-02 / CHEB/ 4.762e+00 2.735e-01 -9.850e-02 8.958e-04 / CHEB/ 5.030e-01 1.386e-01 3.734e-02 -3.539e-02 / CHEB/ -1.110e-01 1.869e-02 4.928e-02 9.803e-03 / CHEB/ -1.081e-01 -8.054e-03 1.287e-02 1.784e-02 / CHEB/ -3.470e-02 -9.751e-04 -4.724e-03 3.908e-03 /

5033.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.9	-4.4	+1.3	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-22.0	-3.4	+2.3	+4.9

Chebyshev(coeffs=[[-21.3686,1.81861,-0.112799,-0.0508084],[25.6664,0.114546,0.0668693,0.0259071],[-0.0272522,0.0412141,0.0254681,0.0112815],[-0.218383,-0.00968753,-0.0037979,0.000401636],[-0.114582,-0.00261908,-0.00175174,-0.000874111],[-0.0198312,-0.00143862,-0.00128955,-0.000947176]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 81.10
S298 (cal/mol*K) = 40.91
G298 (kcal/mol) = 68.91

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C2H4(72); C7H10(38), C5H6(62); C7H10(38)(+M)=>C2H4(72)+C5H6(62)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.137e+01 1.819e+00 -1.128e-01 -5.081e-02 / CHEB/ 2.567e+01 1.145e-01 6.687e-02 2.591e-02 / CHEB/ -2.725e-02 4.121e-02 2.547e-02 1.128e-02 / CHEB/ -2.184e-01 -9.688e-03 -3.798e-03 4.016e-04 / CHEB/ -1.146e-01 -2.619e-03 -1.752e-03 -8.741e-04 / CHEB/ -1.983e-02 -1.439e-03 -1.290e-03 -9.472e-04 /

5034.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-30.1	-7.4	-0.2	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-29.2	-6.5	+0.8	+4.3

Chebyshev(coeffs=[[-28.137,1.85235,-0.0939212,-0.0442966],[31.5566,0.0967303,0.058484,0.0246618],[0.140516,0.0310657,0.0196967,0.00921222],[-0.162169,-0.013147,-0.00676663,-0.00167967],[-0.112604,-0.00316246,-0.00224283,-0.00125968],[-0.00704435,-0.000551504,-0.000680055,-0.000629331]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 99.53
S298 (cal/mol*K) = 44.82
G298 (kcal/mol) = 86.17

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C4H6(74); C7H10(38), C3H4(73); C7H10(38)(+M)=>C4H6(74)+C3H4(73)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.814e+01 1.852e+00 -9.392e-02 -4.430e-02 / CHEB/ 3.156e+01 9.673e-02 5.848e-02 2.466e-02 / CHEB/ 1.405e-01 3.107e-02 1.970e-02 9.212e-03 / CHEB/ -1.622e-01 -1.315e-02 -6.767e-03 -1.680e-03 / CHEB/ -1.126e-01 -3.162e-03 -2.243e-03 -1.260e-03 / CHEB/ -7.044e-03 -5.515e-04 -6.801e-04 -6.293e-04 /

5035.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	+0.8	+2.8	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-5.3	+1.5	+3.7	+4.6

Chebyshev(coeffs=[[-5.07732,1.18504,-0.305488,-0.0401801],[8.49237,0.622427,0.161365,-0.0240467],[0.362971,0.118526,0.0747824,0.0198828],[-0.0988668,-0.0219158,0.0109227,0.0153301],[-0.0834971,-0.00814909,2.30981e-05,0.00520554],[-0.0140105,0.01103,0.00236596,-0.000239442]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.61
S298 (cal/mol*K) = 1.47
G298 (kcal/mol) = 19.17

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(75); C7H10(38)(+M)=>C7H10(75)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.077e+00 1.185e+00 -3.055e-01 -4.018e-02 / CHEB/ 8.492e+00 6.224e-01 1.614e-01 -2.405e-02 / CHEB/ 3.630e-01 1.185e-01 7.478e-02 1.988e-02 / CHEB/ -9.887e-02 -2.192e-02 1.092e-02 1.533e-02 / CHEB/ -8.350e-02 -8.149e-03 2.310e-05 5.206e-03 / CHEB/ -1.401e-02 1.103e-02 2.366e-03 -2.394e-04 /

5036.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.9	+3.3	+4.9	+5.4
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+4.1	+5.8	+6.3

Chebyshev(coeffs=[[-1.15651,1.47156,-0.0976963,0.00453334],[6.39468,0.289736,-0.0627597,-0.0454199],[0.386061,0.116403,0.0561282,-0.0136274],[-0.129784,0.0091481,0.0349357,0.0166185],[-0.114736,-0.00589764,0.00650329,0.0131299],[-0.0380042,0.00191516,-0.0029471,0.000656045]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.89
S298 (cal/mol*K) = -4.91
G298 (kcal/mol) = -2.43

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(76); C7H10(38)(+M)=>C7H10(76)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.157e+00 1.472e+00 -9.770e-02 4.533e-03 / CHEB/ 6.395e+00 2.897e-01 -6.276e-02 -4.542e-02 / CHEB/ 3.861e-01 1.164e-01 5.613e-02 -1.363e-02 / CHEB/ -1.298e-01 9.148e-03 3.494e-02 1.662e-02 / CHEB/ -1.147e-01 -5.898e-03 6.503e-03 1.313e-02 / CHEB/ -3.800e-02 1.915e-03 -2.947e-03 6.560e-04 /

5037.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	+1.4	+3.3	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-4.1	+2.2	+4.2	+4.9

Chebyshev(coeffs=[[-3.94586,1.50083,-0.130062,0.00468613],[7.74422,0.292627,-0.0166241,-0.0561628],[0.376379,0.101778,0.0593536,0.000495878],[-0.126381,0.00366474,0.0254886,0.0184621],[-0.113324,-0.00440186,0.00350006,0.00929576],[-0.0379975,0.00376297,-0.00175517,-0.00102375]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -25.90
S298 (cal/mol*K) = -13.03
G298 (kcal/mol) = -22.02

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(77); C7H10(38)(+M)=>C7H10(77)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.946e+00 1.501e+00 -1.301e-01 4.686e-03 / CHEB/ 7.744e+00 2.926e-01 -1.662e-02 -5.616e-02 / CHEB/ 3.764e-01 1.018e-01 5.935e-02 4.959e-04 / CHEB/ -1.264e-01 3.665e-03 2.549e-02 1.846e-02 / CHEB/ -1.133e-01 -4.402e-03 3.500e-03 9.296e-03 / CHEB/ -3.800e-02 3.763e-03 -1.755e-03 -1.024e-03 /

5038.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.1	+6.0	+6.7	+6.8
log₁₀(k(10 bar)/[mole,m,s])	+3.7	+6.7	+7.5	+7.7

Chebyshev(coeffs=[[3.74917,1.43059,-0.0629121,-0.0547025],[2.88099,0.235463,-0.079033,0.0552667],[0.358533,0.15024,-0.00809153,-0.0395418],[-0.124682,0.0376128,0.0469937,-0.011839],[-0.117066,-0.00435818,0.0293268,0.0162246],[-0.0324848,-0.00517981,-0.00115838,0.00970065]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -28.00
S298 (cal/mol*K) = -17.35
G298 (kcal/mol) = -22.83

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(78); C7H10(38)(+M)=>C7H10(78)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.749e+00 1.431e+00 -6.291e-02 -5.470e-02 / CHEB/ 2.881e+00 2.355e-01 -7.903e-02 5.527e-02 / CHEB/ 3.585e-01 1.502e-01 -8.092e-03 -3.954e-02 / CHEB/ -1.247e-01 3.761e-02 4.699e-02 -1.184e-02 / CHEB/ -1.171e-01 -4.358e-03 2.933e-02 1.622e-02 / CHEB/ -3.248e-02 -5.180e-03 -1.158e-03 9.701e-03 /

5039.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.8	+7.2	+7.3	+7.1
log₁₀(k(10 bar)/[mole,m,s])	+6.5	+7.8	+8.1	+8.0

Chebyshev(coeffs=[[5.94908,1.39678,-0.0620893,-0.0737055],[1.34382,0.17914,-0.0588796,0.0782587],[-0.0389168,0.150861,-0.0281866,-0.0172811],[-0.142503,0.0592175,0.0191051,-0.0265471],[-0.0958422,0.0111841,0.0296062,-0.000139485],[-0.0277706,-0.00304929,0.009251,0.00908343]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.93
S298 (cal/mol*K) = -10.26
G298 (kcal/mol) = -66.87

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(79); C7H10(38)(+M)=>C7H10(79)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.949e+00 1.397e+00 -6.209e-02 -7.371e-02 / CHEB/ 1.344e+00 1.791e-01 -5.888e-02 7.826e-02 / CHEB/ -3.892e-02 1.509e-01 -2.819e-02 -1.728e-02 / CHEB/ -1.425e-01 5.922e-02 1.911e-02 -2.655e-02 / CHEB/ -9.584e-02 1.118e-02 2.961e-02 -1.395e-04 / CHEB/ -2.777e-02 -3.049e-03 9.251e-03 9.083e-03 /

5040.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.5	+6.9	+7.0	+6.8
log₁₀(k(10 bar)/[mole,m,s])	+6.2	+7.5	+7.8	+7.7

Chebyshev(coeffs=[[5.64584,1.39998,-0.0633924,-0.0734311],[1.34032,0.184111,-0.0607902,0.0785915],[-0.0403389,0.152625,-0.0285722,-0.0173859],[-0.141933,0.0579877,0.02003,-0.0269531],[-0.0942629,0.00856055,0.0309726,-0.00053037],[-0.0262267,-0.00544404,0.010285,0.00892295]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -54.05
S298 (cal/mol*K) = -7.22
G298 (kcal/mol) = -51.90

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(80); C7H10(38)(+M)=>C7H10(80)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.646e+00 1.400e+00 -6.339e-02 -7.343e-02 / CHEB/ 1.340e+00 1.841e-01 -6.079e-02 7.859e-02 / CHEB/ -4.034e-02 1.526e-01 -2.857e-02 -1.739e-02 / CHEB/ -1.419e-01 5.799e-02 2.003e-02 -2.695e-02 / CHEB/ -9.426e-02 8.561e-03 3.097e-02 -5.304e-04 / CHEB/ -2.623e-02 -5.444e-03 1.028e-02 8.923e-03 /

5041.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.5	-2.9	+1.9	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-17.6	-2.0	+2.9	+5.1

Chebyshev(coeffs=[[-17.1489,1.78085,-0.132428,-0.0560941],[21.4536,0.13589,0.0756329,0.0257215],[0.092079,0.0482381,0.0293836,0.0126005],[-0.191364,-0.00599222,-0.00071978,0.00245523],[-0.113883,-0.000753283,-0.000459042,-0.000141675],[-0.0243957,-0.000576533,-0.000789834,-0.000740263]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 57.99
S298 (cal/mol*K) = 32.09
G298 (kcal/mol) = 48.43

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), CH2(T)(82); C7H10(38), C6H8(81); C7H10(38)(+M)=>CH2(T)(82)+C6H8(81)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.715e+01 1.781e+00 -1.324e-01 -5.609e-02 / CHEB/ 2.145e+01 1.359e-01 7.563e-02 2.572e-02 / CHEB/ 9.208e-02 4.824e-02 2.938e-02 1.260e-02 / CHEB/ -1.914e-01 -5.992e-03 -7.198e-04 2.455e-03 / CHEB/ -1.139e-01 -7.533e-04 -4.590e-04 -1.417e-04 / CHEB/ -2.440e-02 -5.765e-04 -7.898e-04 -7.403e-04 /

5042.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-41.6	-14.1	-5.3	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-40.6	-13.1	-4.3	-0.2

Chebyshev(coeffs=[[-39.258,1.89159,-0.0708877,-0.0352634],[38.436,0.0710669,0.0447291,0.0205997],[-0.0117149,0.0182696,0.0119281,0.00591236],[-0.196286,-0.0133142,-0.00782668,-0.00306704],[-0.106552,-0.00153035,-0.00121292,-0.000796735],[-0.0228234,0.00113652,0.000563391,0.000111966]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 113.40
S298 (cal/mol*K) = 38.22
G298 (kcal/mol) = 102.01

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C6H8(83); C7H10(38), CH2(T)(82); C7H10(38)(+M)=>C6H8(83)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.926e+01 1.892e+00 -7.089e-02 -3.526e-02 / CHEB/ 3.844e+01 7.107e-02 4.473e-02 2.060e-02 / CHEB/ -1.171e-02 1.827e-02 1.193e-02 5.912e-03 / CHEB/ -1.963e-01 -1.331e-02 -7.827e-03 -3.067e-03 / CHEB/ -1.066e-01 -1.530e-03 -1.213e-03 -7.967e-04 / CHEB/ -2.282e-02 1.137e-03 5.634e-04 1.120e-04 /

5043.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.1	-1.2	+3.0	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-13.3	-0.3	+3.9	+5.8

Chebyshev(coeffs=[[-12.8363,1.72832,-0.154805,-0.0571649],[17.5795,0.175354,0.0878757,0.0206327],[0.313425,0.0530634,0.0331645,0.0148268],[-0.133265,-0.00419399,0.00165023,0.00452862],[-0.102509,0.00025838,0.000263226,0.000347152],[-0.0262657,0.00114505,3.71832e-05,-0.000560301]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 47.05
S298 (cal/mol*K) = 23.62
G298 (kcal/mol) = 40.01

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(84); C7H10(38)(+M)=>H(25)+C7H9(84)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.284e+01 1.728e+00 -1.548e-01 -5.716e-02 / CHEB/ 1.758e+01 1.754e-01 8.788e-02 2.063e-02 / CHEB/ 3.134e-01 5.306e-02 3.316e-02 1.483e-02 / CHEB/ -1.333e-01 -4.194e-03 1.650e-03 4.529e-03 / CHEB/ -1.025e-01 2.584e-04 2.632e-04 3.472e-04 / CHEB/ -2.627e-02 1.145e-03 3.718e-05 -5.603e-04 /

5044.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-2.0	+1.4	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-12.1	-1.5	+2.3	+4.2

Chebyshev(coeffs=[[-10.689,0.346287,-0.218673,-0.00532772],[13.2566,1.32133,0.0825105,-0.0101432],[0.639495,0.500125,0.107831,-0.00366504],[-0.0203915,-0.000652156,0.0363384,-0.0102697],[0.0148139,-0.132359,-0.0186741,-0.00194171],[0.0314524,-0.0948343,-0.0267984,0.00666427]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.98
S298 (cal/mol*K) = 5.39
G298 (kcal/mol) = 15.37

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(85); C7H10(38)(+M)=>C7H10(85)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.069e+01 3.463e-01 -2.187e-01 -5.328e-03 / CHEB/ 1.326e+01 1.321e+00 8.251e-02 -1.014e-02 / CHEB/ 6.395e-01 5.001e-01 1.078e-01 -3.665e-03 / CHEB/ -2.039e-02 -6.522e-04 3.634e-02 -1.027e-02 / CHEB/ 1.481e-02 -1.324e-01 -1.867e-02 -1.942e-03 / CHEB/ 3.145e-02 -9.483e-02 -2.680e-02 6.664e-03 /

5045.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.9	-2.5	+1.3	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-12.3	-1.8	+2.3	+4.2

Chebyshev(coeffs=[[-10.2805,0.336899,-0.168822,0.00672617],[12.279,1.42225,0.084088,-0.0263367],[1.19468,0.504052,0.080129,-0.00378185],[0.151909,-0.0930222,-0.00846217,-0.00885066],[-0.0341983,-0.220664,-0.0394183,0.000928319],[-0.0506433,-0.0933636,-0.0112152,0.0102465]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.98
S298 (cal/mol*K) = 5.39
G298 (kcal/mol) = 15.37

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(86); C7H10(38)(+M)=>C7H10(86)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.028e+01 3.369e-01 -1.688e-01 6.726e-03 / CHEB/ 1.228e+01 1.422e+00 8.409e-02 -2.634e-02 / CHEB/ 1.195e+00 5.041e-01 8.013e-02 -3.782e-03 / CHEB/ 1.519e-01 -9.302e-02 -8.462e-03 -8.851e-03 / CHEB/ -3.420e-02 -2.207e-01 -3.942e-02 9.283e-04 / CHEB/ -5.064e-02 -9.336e-02 -1.122e-02 1.025e-02 /

5046.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.6	+0.4	+2.5	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-7.9	+0.6	+3.2	+4.4

Chebyshev(coeffs=[[-6.71722,0.100358,-0.211701,0.0088427],[10.0769,1.17377,-0.0135688,-0.0366096],[0.34178,0.551033,0.103562,0.00763034],[-0.277395,0.152615,0.0799242,0.00620181],[-0.108857,0.0190431,0.0340995,0.000294708],[0.0442633,0.00142368,-0.00101854,-0.00249749]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.98
S298 (cal/mol*K) = 5.39
G298 (kcal/mol) = 15.37

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(87); C7H10(38)(+M)=>C7H10(87)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.717e+00 1.004e-01 -2.117e-01 8.843e-03 / CHEB/ 1.008e+01 1.174e+00 -1.357e-02 -3.661e-02 / CHEB/ 3.418e-01 5.510e-01 1.036e-01 7.630e-03 / CHEB/ -2.774e-01 1.526e-01 7.992e-02 6.202e-03 / CHEB/ -1.089e-01 1.904e-02 3.410e-02 2.947e-04 / CHEB/ 4.426e-02 1.424e-03 -1.019e-03 -2.497e-03 /

5047.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.1	+4.5	+5.8	+6.3
log₁₀(k(10 bar)/[mole,m,s])	+0.5	+5.2	+6.7	+7.2

Chebyshev(coeffs=[[1.39654,0.616116,0.156201,-0.0222067],[4.5152,1.08126,-0.205218,-0.0276834],[0.562662,0.178525,-0.104142,0.00251513],[-0.15914,0.0634979,0.0524367,0.0128689],[-0.122405,0.0052822,0.0233383,0.00645881],[-0.00398104,-0.0415408,0.00369222,0.00458632]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -19.79
S298 (cal/mol*K) = -4.42
G298 (kcal/mol) = -18.48

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(89); C7H10(38)(+M)=>C7H10(89)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.397e+00 6.161e-01 1.562e-01 -2.221e-02 / CHEB/ 4.515e+00 1.081e+00 -2.052e-01 -2.768e-02 / CHEB/ 5.627e-01 1.785e-01 -1.041e-01 2.515e-03 / CHEB/ -1.591e-01 6.350e-02 5.244e-02 1.287e-02 / CHEB/ -1.224e-01 5.282e-03 2.334e-02 6.459e-03 / CHEB/ -3.981e-03 -4.154e-02 3.692e-03 4.586e-03 /

5048.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.3	+1.0	+3.9	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-6.6	+1.9	+4.9	+6.3

Chebyshev(coeffs=[[-6.04315,1.57151,-0.157498,-0.0121719],[10.7047,0.298395,0.0492881,-0.0439688],[0.735289,0.0783132,0.0597184,0.0197391],[-0.0334794,-0.00695581,0.0115062,0.0164531],[-0.0842131,-0.00437494,-0.00148026,0.00271083],[-0.0272132,0.00377876,-0.000812836,-0.00231978]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.52
S298 (cal/mol*K) = -2.45
G298 (kcal/mol) = -6.80

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(90); C7H10(38)(+M)=>C7H10(90)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.043e+00 1.572e+00 -1.575e-01 -1.217e-02 / CHEB/ 1.070e+01 2.984e-01 4.929e-02 -4.397e-02 / CHEB/ 7.353e-01 7.831e-02 5.972e-02 1.974e-02 / CHEB/ -3.348e-02 -6.956e-03 1.151e-02 1.645e-02 / CHEB/ -8.421e-02 -4.375e-03 -1.480e-03 2.711e-03 / CHEB/ -2.721e-02 3.779e-03 -8.128e-04 -2.320e-03 /

5049.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-0.6	+2.5	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-9.8	+0.3	+3.4	+4.7

Chebyshev(coeffs=[[-9.63336,1.65061,-0.175276,-0.0454363],[13.4407,0.22175,0.0853206,-0.00286571],[0.20613,0.062481,0.0404356,0.017783],[-0.165401,-0.0025272,0.00561769,0.00839311],[-0.120197,0.00091128,0.00116585,0.00145566],[-0.038448,0.00436863,0.00126965,-0.000545574]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.14
S298 (cal/mol*K) = -0.76
G298 (kcal/mol) = 20.36

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(91); C7H10(38)(+M)=>C7H10(91)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.633e+00 1.651e+00 -1.753e-01 -4.544e-02 / CHEB/ 1.344e+01 2.218e-01 8.532e-02 -2.866e-03 / CHEB/ 2.061e-01 6.248e-02 4.044e-02 1.778e-02 / CHEB/ -1.654e-01 -2.527e-03 5.618e-03 8.393e-03 / CHEB/ -1.202e-01 9.113e-04 1.166e-03 1.456e-03 / CHEB/ -3.845e-02 4.369e-03 1.270e-03 -5.456e-04 /

5050.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+5.6	+6.8	+6.9	+6.6
log₁₀(k(10 bar)/[mole,m,s])	+6.3	+7.5	+7.7	+7.5

Chebyshev(coeffs=[[5.71475,1.39926,-0.0633424,-0.0742854],[1.15996,0.182869,-0.0598259,0.0791301],[-0.0826019,0.153366,-0.0287677,-0.0162286],[-0.14549,0.0591551,0.0189847,-0.0271678],[-0.0884896,0.00918124,0.0307083,-0.00125717],[-0.0269026,-0.00545154,0.0107202,0.00869186]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -54.05
S298 (cal/mol*K) = -7.22
G298 (kcal/mol) = -51.90

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(92); C7H10(38)(+M)=>C7H10(92)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.715e+00 1.399e+00 -6.334e-02 -7.429e-02 / CHEB/ 1.160e+00 1.829e-01 -5.983e-02 7.913e-02 / CHEB/ -8.260e-02 1.534e-01 -2.877e-02 -1.623e-02 / CHEB/ -1.455e-01 5.916e-02 1.898e-02 -2.717e-02 / CHEB/ -8.849e-02 9.181e-03 3.071e-02 -1.257e-03 / CHEB/ -2.690e-02 -5.452e-03 1.072e-02 8.692e-03 /

5051.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+7.7	+8.8	+8.7	+8.4
log₁₀(k(10 bar)/[mole,m,s])	+8.4	+9.4	+9.5	+9.3

Chebyshev(coeffs=[[7.74321,1.39444,-0.0630186,-0.0762996],[0.966016,0.174939,-0.0575154,0.0809638],[-0.147865,0.152795,-0.0299261,-0.0123069],[-0.164193,0.0617221,0.0150794,-0.0274888],[-0.0979112,0.011143,0.0289165,-0.00394127],[-0.022003,-0.00511951,0.011574,0.00743891]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -74.49
S298 (cal/mol*K) = -16.05
G298 (kcal/mol) = -69.71

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(93); C7H10(38)(+M)=>C7H10(93)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.743e+00 1.394e+00 -6.302e-02 -7.630e-02 / CHEB/ 9.660e-01 1.749e-01 -5.752e-02 8.096e-02 / CHEB/ -1.479e-01 1.528e-01 -2.993e-02 -1.231e-02 / CHEB/ -1.642e-01 6.172e-02 1.508e-02 -2.749e-02 / CHEB/ -9.791e-02 1.114e-02 2.892e-02 -3.941e-03 / CHEB/ -2.200e-02 -5.120e-03 1.157e-02 7.439e-03 /

5052.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.4	+0.3	+3.6	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-9.6	+1.2	+4.6	+6.1

Chebyshev(coeffs=[[-9.28315,1.66568,-0.171882,-0.0480669],[14.2981,0.218355,0.0889835,0.00231637],[0.333267,0.0598634,0.0393395,0.018102],[-0.132463,-0.00339613,0.00445385,0.00751082],[-0.109351,0.000562791,0.000729515,0.00101723],[-0.0336906,0.00351075,0.000915991,-0.000596]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.50
S298 (cal/mol*K) = 26.41
G298 (kcal/mol) = 23.63

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C6H8(94); C7H10(38), CH2(T)(82); C7H10(38)(+M)=>C6H8(94)+CH2(T)(82)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.283e+00 1.666e+00 -1.719e-01 -4.807e-02 / CHEB/ 1.430e+01 2.184e-01 8.898e-02 2.316e-03 / CHEB/ 3.333e-01 5.986e-02 3.934e-02 1.810e-02 / CHEB/ -1.325e-01 -3.396e-03 4.454e-03 7.511e-03 / CHEB/ -1.094e-01 5.628e-04 7.295e-04 1.017e-03 / CHEB/ -3.369e-02 3.511e-03 9.160e-04 -5.960e-04 /

5053.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.2	-1.6	+2.4	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-13.6	-0.7	+3.3	+5.1

Chebyshev(coeffs=[[-12.0682,0.843461,-0.106742,-0.0183885],[15.6185,1.4124,0.0692716,-0.0328556],[0.969138,-0.219038,-0.0597163,0.0160265],[-0.270433,-0.213767,0.0638909,0.0316795],[-0.17694,0.126549,0.037506,-0.0147444],[-0.0400872,0.0373111,-0.0504634,-0.00835868]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.72
S298 (cal/mol*K) = 1.43
G298 (kcal/mol) = 12.29

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(95); C7H10(38)(+M)=>C7H10(95)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.207e+01 8.435e-01 -1.067e-01 -1.839e-02 / CHEB/ 1.562e+01 1.412e+00 6.927e-02 -3.286e-02 / CHEB/ 9.691e-01 -2.190e-01 -5.972e-02 1.603e-02 / CHEB/ -2.704e-01 -2.138e-01 6.389e-02 3.168e-02 / CHEB/ -1.769e-01 1.265e-01 3.751e-02 -1.474e-02 / CHEB/ -4.009e-02 3.731e-02 -5.046e-02 -8.359e-03 /

5054.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-1.2	+2.1	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-9.2	-0.6	+3.1	+4.7

Chebyshev(coeffs=[[-6.96754,0.211006,-0.0884684,0.0188392],[9.26092,1.43516,-0.00416832,-0.0332666],[1.37272,0.593932,0.0763475,-0.0179527],[0.12336,-0.0302599,-0.0100648,-0.00234827],[-0.0511739,-0.213121,-0.0397338,0.00055023],[-0.0233487,-0.122113,-0.00426909,0.00782013]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.52
S298 (cal/mol*K) = 0.33
G298 (kcal/mol) = 3.42

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(96); C7H10(38)(+M)=>C7H10(96)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.968e+00 2.110e-01 -8.847e-02 1.884e-02 / CHEB/ 9.261e+00 1.435e+00 -4.168e-03 -3.327e-02 / CHEB/ 1.373e+00 5.939e-01 7.635e-02 -1.795e-02 / CHEB/ 1.234e-01 -3.026e-02 -1.006e-02 -2.348e-03 / CHEB/ -5.117e-02 -2.131e-01 -3.973e-02 5.502e-04 / CHEB/ -2.335e-02 -1.221e-01 -4.269e-03 7.820e-03 /

5055.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	+1.3	+3.9	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-6.3	+2.2	+4.8	+5.9

Chebyshev(coeffs=[[-5.54268,0.967593,-0.00140402,-0.0150518],[10.0692,1.21304,-0.160436,-0.0634235],[0.761335,-0.309012,0.0627969,0.0618416],[-0.214984,0.0143307,0.0899101,-0.00601525],[-0.112009,0.0603527,-0.0433922,-0.0123318],[-0.0318161,-0.0204157,-0.00103589,0.0191733]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.52
S298 (cal/mol*K) = 0.33
G298 (kcal/mol) = 3.42

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(97); C7H10(38)(+M)=>C7H10(97)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.543e+00 9.676e-01 -1.404e-03 -1.505e-02 / CHEB/ 1.007e+01 1.213e+00 -1.604e-01 -6.342e-02 / CHEB/ 7.613e-01 -3.090e-01 6.280e-02 6.184e-02 / CHEB/ -2.150e-01 1.433e-02 8.991e-02 -6.015e-03 / CHEB/ -1.120e-01 6.035e-02 -4.339e-02 -1.233e-02 / CHEB/ -3.182e-02 -2.042e-02 -1.036e-03 1.917e-02 /

5056.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	+1.2	+2.7	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-6.9	+1.4	+3.2	+3.5

Chebyshev(coeffs=[[-6.01814,0.0675423,-0.247353,-0.0023118],[9.49602,1.06963,-0.0501798,-0.0468056],[-0.0925174,0.453617,0.0680303,-0.000568565],[-0.523636,0.0828537,0.0589574,0.00277038],[-0.274237,-0.0173384,0.0266889,0.00359848],[-0.0688381,-0.00926271,0.00130768,0.00385559]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.23
S298 (cal/mol*K) = 31.84
G298 (kcal/mol) = 14.74

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C4H5(99); C7H10(38), C3H5(98); C7H10(38)(+M)=>C4H5(99)+C3H5(98)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.018e+00 6.754e-02 -2.474e-01 -2.312e-03 / CHEB/ 9.496e+00 1.070e+00 -5.018e-02 -4.681e-02 / CHEB/ -9.252e-02 4.536e-01 6.803e-02 -5.686e-04 / CHEB/ -5.236e-01 8.285e-02 5.896e-02 2.770e-03 / CHEB/ -2.742e-01 -1.734e-02 2.669e-02 3.598e-03 / CHEB/ -6.884e-02 -9.263e-03 1.308e-03 3.856e-03 /

5057.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.7	+2.9	+4.0	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-4.1	+3.0	+4.5	+4.5

Chebyshev(coeffs=[[-3.07304,-0.0502756,-0.202435,0.00911752],[7.53867,1.0136,-0.11182,-0.051516],[0.0307029,0.470659,0.0618651,-0.00659628],[-0.528069,0.112376,0.0567785,0.00728486],[-0.291735,-0.000982546,0.0267208,0.00247804],[-0.0771123,-0.00543839,0.00383698,0.000647247]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.03
S298 (cal/mol*K) = 32.85
G298 (kcal/mol) = 6.24

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C5H7(210); C7H10(38), C2H3(100); C7H10(38)(+M)=>C5H7(210)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.073e+00 -5.028e-02 -2.024e-01 9.118e-03 / CHEB/ 7.539e+00 1.014e+00 -1.118e-01 -5.152e-02 / CHEB/ 3.070e-02 4.707e-01 6.187e-02 -6.596e-03 / CHEB/ -5.281e-01 1.124e-01 5.678e-02 7.285e-03 / CHEB/ -2.917e-01 -9.825e-04 2.672e-02 2.478e-03 / CHEB/ -7.711e-02 -5.438e-03 3.837e-03 6.472e-04 /

5058.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.6	-5.0	-2.2	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-16.8	-4.5	-1.4	-0.3

Chebyshev(coeffs=[[-16.0433,0.482867,-0.306019,-0.0334259],[15.5924,1.11875,0.0601925,-0.0231455],[-0.209664,0.321087,0.116369,-0.00525485],[-0.441158,-0.0309387,0.0527573,0.0156507],[-0.198696,-0.0496638,0.0014864,0.0135482],[-0.0420388,-0.00270042,-0.00981728,0.00152858]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.27
S298 (cal/mol*K) = 23.76
G298 (kcal/mol) = 39.19

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(101); C7H10(38)(+M)=>H(25)+C7H9(101)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.604e+01 4.829e-01 -3.060e-01 -3.343e-02 / CHEB/ 1.559e+01 1.119e+00 6.019e-02 -2.315e-02 / CHEB/ -2.097e-01 3.211e-01 1.164e-01 -5.255e-03 / CHEB/ -4.412e-01 -3.094e-02 5.276e-02 1.565e-02 / CHEB/ -1.987e-01 -4.966e-02 1.486e-03 1.355e-02 / CHEB/ -4.204e-02 -2.700e-03 -9.817e-03 1.529e-03 /

5059.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.6	-5.0	-2.2	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-16.8	-4.5	-1.4	-0.3

H298 (kcal/mol) = 46.27
S298 (cal/mol*K) = 23.76
G298 (kcal/mol) = 39.19

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(102); C7H10(38)(+M)=>H(25)+C7H9(102)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.604e+01 4.829e-01 -3.060e-01 -3.343e-02 / CHEB/ 1.559e+01 1.119e+00 6.019e-02 -2.315e-02 / CHEB/ -2.097e-01 3.211e-01 1.164e-01 -5.255e-03 / CHEB/ -4.412e-01 -3.094e-02 5.276e-02 1.565e-02 / CHEB/ -1.987e-01 -4.966e-02 1.486e-03 1.355e-02 / CHEB/ -4.204e-02 -2.700e-03 -9.817e-03 1.529e-03 /

5060.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.5	-3.0	+0.1	+1.1
log₁₀(k(10 bar)/[mole,m,s])	-15.5	-2.3	+1.0	+2.1

Chebyshev(coeffs=[[-15.1531,0.726177,-0.332505,-0.034827],[17.3283,1.04862,0.13329,-0.0336617],[-0.432546,0.218219,0.127144,0.012159],[-0.460591,-0.0690707,0.0262235,0.0243042],[-0.191373,-0.0429236,-0.0133513,0.00785931],[-0.0415631,0.00647862,-0.00818033,-0.00355365]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.43
S298 (cal/mol*K) = 39.78
G298 (kcal/mol) = 42.57

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C5H7(103); C7H10(38), C2H3(100); C7H10(38)(+M)=>C5H7(103)+C2H3(100)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.515e+01 7.262e-01 -3.325e-01 -3.483e-02 / CHEB/ 1.733e+01 1.049e+00 1.333e-01 -3.366e-02 / CHEB/ -4.325e-01 2.182e-01 1.271e-01 1.216e-02 / CHEB/ -4.606e-01 -6.907e-02 2.622e-02 2.430e-02 / CHEB/ -1.914e-01 -4.292e-02 -1.335e-02 7.859e-03 / CHEB/ -4.156e-02 6.479e-03 -8.180e-03 -3.554e-03 /

5061.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-2.0	+0.4	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-1.7	+1.1	+1.9

Chebyshev(coeffs=[[-11.7705,0.298626,-0.287099,-0.0275296],[13.4986,1.12013,0.0162247,-0.0231929],[-0.0997479,0.393817,0.0932476,-0.00665458],[-0.456227,0.0175958,0.0621542,0.00550239],[-0.221241,-0.0426383,0.0159476,0.0114228],[-0.0486663,-0.00920607,-0.00620285,0.0051594]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 37.07
S298 (cal/mol*K) = 22.67
G298 (kcal/mol) = 30.32

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(104); C7H10(38)(+M)=>H(25)+C7H9(104)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.177e+01 2.986e-01 -2.871e-01 -2.753e-02 / CHEB/ 1.350e+01 1.120e+00 1.622e-02 -2.319e-02 / CHEB/ -9.975e-02 3.938e-01 9.325e-02 -6.655e-03 / CHEB/ -4.562e-01 1.760e-02 6.215e-02 5.502e-03 / CHEB/ -2.212e-01 -4.264e-02 1.595e-02 1.142e-02 / CHEB/ -4.867e-02 -9.206e-03 -6.203e-03 5.159e-03 /

5062.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.4	-2.0	+0.4	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-12.7	-1.7	+1.1	+1.9

H298 (kcal/mol) = 37.07
S298 (cal/mol*K) = 22.67
G298 (kcal/mol) = 30.32

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(105); C7H10(38)(+M)=>H(25)+C7H9(105)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.177e+01 2.986e-01 -2.871e-01 -2.753e-02 / CHEB/ 1.350e+01 1.120e+00 1.622e-02 -2.319e-02 / CHEB/ -9.975e-02 3.938e-01 9.325e-02 -6.655e-03 / CHEB/ -4.562e-01 1.760e-02 6.215e-02 5.502e-03 / CHEB/ -2.212e-01 -4.264e-02 1.595e-02 1.142e-02 / CHEB/ -4.867e-02 -9.206e-03 -6.203e-03 5.159e-03 /

5063.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.5	-4.5	-1.5	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-16.6	-3.9	-0.6	+0.5

Chebyshev(coeffs=[[-15.885,0.532569,-0.311349,-0.0336215],[16.2234,1.11089,0.073797,-0.025362],[-0.205977,0.299538,0.120924,-0.00284252],[-0.429097,-0.0414074,0.0482126,0.0182942],[-0.19121,-0.0493964,-0.00227025,0.0130181],[-0.0398743,-0.00062678,-0.010025,0.000315265]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.47
S298 (cal/mol*K) = 23.35
G298 (kcal/mol) = 41.51

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(106); C7H10(38)(+M)=>H(25)+C7H9(106)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.589e+01 5.326e-01 -3.113e-01 -3.362e-02 / CHEB/ 1.622e+01 1.111e+00 7.380e-02 -2.536e-02 / CHEB/ -2.060e-01 2.995e-01 1.209e-01 -2.843e-03 / CHEB/ -4.291e-01 -4.141e-02 4.821e-02 1.829e-02 / CHEB/ -1.912e-01 -4.940e-02 -2.270e-03 1.302e-02 / CHEB/ -3.987e-02 -6.268e-04 -1.002e-02 3.153e-04 /

5064.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.5	-4.5	-1.5	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-16.6	-3.9	-0.6	+0.5

H298 (kcal/mol) = 48.47
S298 (cal/mol*K) = 23.35
G298 (kcal/mol) = 41.51

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(107); C7H10(38)(+M)=>H(25)+C7H9(107)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.589e+01 5.326e-01 -3.113e-01 -3.362e-02 / CHEB/ 1.622e+01 1.111e+00 7.380e-02 -2.536e-02 / CHEB/ -2.060e-01 2.995e-01 1.209e-01 -2.843e-03 / CHEB/ -4.291e-01 -4.141e-02 4.821e-02 1.829e-02 / CHEB/ -1.912e-01 -4.940e-02 -2.270e-03 1.302e-02 / CHEB/ -3.987e-02 -6.268e-04 -1.002e-02 3.153e-04 /

5065.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	+0.9	+2.5	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-7.5	+1.0	+3.0	+3.4

Chebyshev(coeffs=[[-6.41795,0.0406558,-0.23922,0.0011314],[9.64261,1.05947,-0.0618739,-0.049572],[0.0588792,0.45819,0.0663298,-0.000823239],[-0.487871,0.0898275,0.0582112,0.00354581],[-0.266172,-0.0137231,0.0270317,0.00296325],[-0.0664165,-0.00858529,0.00203933,0.00321033]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 16.80
S298 (cal/mol*K) = 7.31
G298 (kcal/mol) = 14.62

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(109); C7H10(38)(+M)=>C7H10(109)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.418e+00 4.066e-02 -2.392e-01 1.131e-03 / CHEB/ 9.643e+00 1.059e+00 -6.187e-02 -4.957e-02 / CHEB/ 5.888e-02 4.582e-01 6.633e-02 -8.232e-04 / CHEB/ -4.879e-01 8.983e-02 5.821e-02 3.546e-03 / CHEB/ -2.662e-01 -1.372e-02 2.703e-02 2.963e-03 / CHEB/ -6.642e-02 -8.585e-03 2.039e-03 3.210e-03 /

5066.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.4	-4.9	-3.1	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-4.7	-2.5	-2.1

Chebyshev(coeffs=[[-12.6909,0.0864453,-0.252434,-0.00481309],[10.4434,1.07611,-0.0427043,-0.0446109],[0.0353568,0.450128,0.0694062,-0.000647426],[-0.479915,0.0778468,0.0595019,0.00235081],[-0.257073,-0.0198393,0.0263276,0.00413486],[-0.0625228,-0.00966497,0.000753689,0.00425809]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.61
S298 (cal/mol*K) = 1.20
G298 (kcal/mol) = 3.25

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(110); C7H10(38)(+M)=>C7H10(110)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.269e+01 8.645e-02 -2.524e-01 -4.813e-03 / CHEB/ 1.044e+01 1.076e+00 -4.270e-02 -4.461e-02 / CHEB/ 3.536e-02 4.501e-01 6.941e-02 -6.474e-04 / CHEB/ -4.799e-01 7.785e-02 5.950e-02 2.351e-03 / CHEB/ -2.571e-01 -1.984e-02 2.633e-02 4.135e-03 / CHEB/ -6.252e-02 -9.665e-03 7.537e-04 4.258e-03 /

5067.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.0	-0.3	+1.4	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-8.4	-0.2	+1.8	+2.2

Chebyshev(coeffs=[[-7.26696,-0.0697008,-0.254289,-0.00842563],[9.22121,1.03768,-0.0637961,-0.0418281],[0.148627,0.451063,0.0475682,-0.00799421],[-0.448161,0.106892,0.0533644,0.00342117],[-0.262917,0.00171717,0.0295163,0.00335866],[-0.0689888,-0.00251824,0.00543308,0.00260215]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.00
S298 (cal/mol*K) = 6.89
G298 (kcal/mol) = 16.94

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(111); C7H10(38)(+M)=>C7H10(111)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.267e+00 -6.970e-02 -2.543e-01 -8.426e-03 / CHEB/ 9.221e+00 1.038e+00 -6.380e-02 -4.183e-02 / CHEB/ 1.486e-01 4.511e-01 4.757e-02 -7.994e-03 / CHEB/ -4.482e-01 1.069e-01 5.336e-02 3.421e-03 / CHEB/ -2.629e-01 1.717e-03 2.952e-02 3.359e-03 / CHEB/ -6.899e-02 -2.518e-03 5.433e-03 2.602e-03 /

5068.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-2.3	-0.8	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-2.2	-0.3	+0.1

Chebyshev(coeffs=[[-9.2536,-0.00556224,-0.222441,0.00623831],[9.08369,1.03881,-0.0851837,-0.0525375],[0.149917,0.465052,0.0639669,-0.00260224],[-0.476818,0.101469,0.0571704,0.00528603],[-0.268909,-0.00733726,0.0271475,0.0023349],[-0.0681848,-0.00714167,0.0031039,0.00194839]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.07
S298 (cal/mol*K) = 3.14
G298 (kcal/mol) = 9.13

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(112); C7H10(38)(+M)=>C7H10(112)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.254e+00 -5.562e-03 -2.224e-01 6.238e-03 / CHEB/ 9.084e+00 1.039e+00 -8.518e-02 -5.254e-02 / CHEB/ 1.499e-01 4.651e-01 6.397e-02 -2.602e-03 / CHEB/ -4.768e-01 1.015e-01 5.717e-02 5.286e-03 / CHEB/ -2.689e-01 -7.337e-03 2.715e-02 2.335e-03 / CHEB/ -6.818e-02 -7.142e-03 3.104e-03 1.948e-03 /

5069.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	-0.4	+0.6	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-6.5	-0.5	+1.0	+1.1

Chebyshev(coeffs=[[-5.16211,-0.177119,-0.138029,-0.0129073],[5.85073,0.884291,-0.180668,0.0013797],[0.387034,0.481012,0.0327096,-0.0380523],[-0.467581,0.14422,0.0655756,0.00993255],[-0.283475,0.0181339,0.024805,0.00938738],[-0.0780539,0.00123256,0.00285375,-0.00136362]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.48
S298 (cal/mol*K) = -1.84
G298 (kcal/mol) = 2.02

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(113); C7H10(38)(+M)=>C7H10(113)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.162e+00 -1.771e-01 -1.380e-01 -1.291e-02 / CHEB/ 5.851e+00 8.843e-01 -1.807e-01 1.380e-03 / CHEB/ 3.870e-01 4.810e-01 3.271e-02 -3.805e-02 / CHEB/ -4.676e-01 1.442e-01 6.558e-02 9.933e-03 / CHEB/ -2.835e-01 1.813e-02 2.481e-02 9.387e-03 / CHEB/ -7.805e-02 1.233e-03 2.854e-03 -1.364e-03 /

5070.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	+0.4	+1.7	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-6.3	+0.4	+2.1	+2.3

Chebyshev(coeffs=[[-4.83382,-0.12331,-0.145242,-0.00797975],[6.61107,0.9627,-0.171987,-0.0123294],[0.496107,0.50142,0.0510046,-0.0325476],[-0.450223,0.137674,0.0670828,0.0123809],[-0.277592,0.00932487,0.0247243,0.00736737],[-0.074067,-0.00379632,0.00330155,-0.00178042]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.79
S298 (cal/mol*K) = 1.95
G298 (kcal/mol) = -1.37

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(114); C7H10(38)(+M)=>C7H10(114)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.834e+00 -1.233e-01 -1.452e-01 -7.980e-03 / CHEB/ 6.611e+00 9.627e-01 -1.720e-01 -1.233e-02 / CHEB/ 4.961e-01 5.014e-01 5.100e-02 -3.255e-02 / CHEB/ -4.502e-01 1.377e-01 6.708e-02 1.238e-02 / CHEB/ -2.776e-01 9.325e-03 2.472e-02 7.367e-03 / CHEB/ -7.407e-02 -3.796e-03 3.302e-03 -1.780e-03 /

5071.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.3	-0.8	+0.5	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-7.7	-0.8	+0.9	+1.1

Chebyshev(coeffs=[[-6.36357,-0.119183,-0.165056,0.00479151],[7.12964,0.957226,-0.157634,-0.0348983],[0.320917,0.478108,0.0548725,-0.0197147],[-0.469376,0.128924,0.0588087,0.0101957],[-0.279883,0.00928828,0.0253133,0.00478032],[-0.0746965,-0.00218552,0.00410766,-0.00108072]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 0.87
S298 (cal/mol*K) = 2.04
G298 (kcal/mol) = 0.26

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(116); C7H10(38)(+M)=>C7H10(116)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.364e+00 -1.192e-01 -1.651e-01 4.792e-03 / CHEB/ 7.130e+00 9.572e-01 -1.576e-01 -3.490e-02 / CHEB/ 3.209e-01 4.781e-01 5.487e-02 -1.971e-02 / CHEB/ -4.694e-01 1.289e-01 5.881e-02 1.020e-02 / CHEB/ -2.799e-01 9.288e-03 2.531e-02 4.780e-03 / CHEB/ -7.470e-02 -2.186e-03 4.108e-03 -1.081e-03 /

5072.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.3	-1.8	-0.6	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-8.7	-1.8	-0.2	-0.0

Chebyshev(coeffs=[[-7.39327,-0.116763,-0.166434,0.0052225],[7.05642,0.959741,-0.156084,-0.0359433],[0.290407,0.477861,0.0553291,-0.0190674],[-0.477418,0.128338,0.0586471,0.0101188],[-0.282334,0.00891689,0.0253669,0.00464437],[-0.0754823,-0.00231451,0.00412362,-0.00103549]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 1.01
S298 (cal/mol*K) = -2.24
G298 (kcal/mol) = 1.67

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(117); C7H10(38)(+M)=>C7H10(117)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.393e+00 -1.168e-01 -1.664e-01 5.222e-03 / CHEB/ 7.056e+00 9.597e-01 -1.561e-01 -3.594e-02 / CHEB/ 2.904e-01 4.779e-01 5.533e-02 -1.907e-02 / CHEB/ -4.774e-01 1.283e-01 5.865e-02 1.012e-02 / CHEB/ -2.823e-01 8.917e-03 2.537e-02 4.644e-03 / CHEB/ -7.548e-02 -2.315e-03 4.124e-03 -1.035e-03 /

5073.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.3	-0.8	+0.5	+0.4
log₁₀(k(10 bar)/[mole,m,s])	-7.7	-0.8	+0.9	+1.1

H298 (kcal/mol) = 0.87
S298 (cal/mol*K) = 2.04
G298 (kcal/mol) = 0.26

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(118); C7H10(38)(+M)=>C7H10(118)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.364e+00 -1.192e-01 -1.651e-01 4.792e-03 / CHEB/ 7.130e+00 9.572e-01 -1.576e-01 -3.490e-02 / CHEB/ 3.209e-01 4.781e-01 5.487e-02 -1.971e-02 / CHEB/ -4.694e-01 1.289e-01 5.881e-02 1.020e-02 / CHEB/ -2.799e-01 9.288e-03 2.531e-02 4.780e-03 / CHEB/ -7.470e-02 -2.186e-03 4.108e-03 -1.081e-03 /

5074.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.9	-1.6	-0.4	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-8.4	-1.6	-0.0	+0.2

Chebyshev(coeffs=[[-7.04359,-0.129966,-0.159003,0.00255871],[6.88235,0.945426,-0.164221,-0.0297421],[0.33089,0.479162,0.0524925,-0.0227721],[-0.470624,0.131575,0.0596393,0.0104892],[-0.281231,0.0109629,0.0250809,0.00543998],[-0.0755197,-0.00159058,0.00400678,-0.00125755]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.21
S298 (cal/mol*K) = -2.66
G298 (kcal/mol) = 4.00

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(119); C7H10(38)(+M)=>C7H10(119)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.044e+00 -1.300e-01 -1.590e-01 2.559e-03 / CHEB/ 6.882e+00 9.454e-01 -1.642e-01 -2.974e-02 / CHEB/ 3.309e-01 4.792e-01 5.249e-02 -2.277e-02 / CHEB/ -4.706e-01 1.316e-01 5.964e-02 1.049e-02 / CHEB/ -2.812e-01 1.096e-02 2.508e-02 5.440e-03 / CHEB/ -7.552e-02 -1.591e-03 4.007e-03 -1.258e-03 /

5075.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-2.0	-0.5	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-1.9	-0.0	+0.3

Chebyshev(coeffs=[[-8.73389,-0.0243191,-0.214515,0.00778398],[8.80216,1.02899,-0.0958805,-0.0527197],[0.178932,0.467512,0.0631185,-0.00395249],[-0.474934,0.10608,0.0569056,0.00610063],[-0.270794,-0.00469375,0.0270298,0.00229132],[-0.0692057,-0.00646337,0.00345197,0.00140379]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.27
S298 (cal/mol*K) = 2.72
G298 (kcal/mol) = 11.45

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(120); C7H10(38)(+M)=>C7H10(120)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.734e+00 -2.432e-02 -2.145e-01 7.784e-03 / CHEB/ 8.802e+00 1.029e+00 -9.588e-02 -5.272e-02 / CHEB/ 1.789e-01 4.675e-01 6.312e-02 -3.952e-03 / CHEB/ -4.749e-01 1.061e-01 5.691e-02 6.101e-03 / CHEB/ -2.708e-01 -4.694e-03 2.703e-02 2.291e-03 / CHEB/ -6.921e-02 -6.463e-03 3.452e-03 1.404e-03 /

5076.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	-0.4	+0.4	+0.1
log₁₀(k(10 bar)/[mole,m,s])	-5.6	-0.5	+0.6	+0.7

Chebyshev(coeffs=[[-4.26395,-0.23646,-0.126269,-0.0352187],[4.547,0.798059,-0.17156,0.0406026],[0.406947,0.474242,-0.004942,-0.0473664],[-0.417735,0.163089,0.0678662,-0.000344533],[-0.28298,0.0279613,0.0318108,0.0156912],[-0.0711237,0.00360623,0.000311191,0.00143225]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -72.05
S298 (cal/mol*K) = -24.01
G298 (kcal/mol) = -64.90

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(121); C7H10(38)(+M)=>C7H10(121)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.264e+00 -2.365e-01 -1.263e-01 -3.522e-02 / CHEB/ 4.547e+00 7.981e-01 -1.716e-01 4.060e-02 / CHEB/ 4.069e-01 4.742e-01 -4.942e-03 -4.737e-02 / CHEB/ -4.177e-01 1.631e-01 6.787e-02 -3.445e-04 / CHEB/ -2.830e-01 2.796e-02 3.181e-02 1.569e-02 / CHEB/ -7.112e-02 3.606e-03 3.112e-04 1.432e-03 /

5077.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.4	+4.6	+6.3	+6.5
log₁₀(k(10 bar)/[mole,m,s])	-3.8	+4.7	+6.8	+7.2

Chebyshev(coeffs=[[-2.55653,0.01713,-0.224531,0.00478851],[9.45035,1.06361,-0.0784526,-0.0526008],[0.211053,0.468738,0.0682686,-0.0017096],[-0.465938,0.0967661,0.0585975,0.00522381],[-0.262952,-0.0117998,0.0271868,0.00256254],[-0.0661204,-0.00912847,0.00257102,0.00239783]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.81
S298 (cal/mol*K) = 18.72
G298 (kcal/mol) = 10.23

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(122); C7H10(38)(+M)=>C7H10(122)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.557e+00 1.713e-02 -2.245e-01 4.789e-03 / CHEB/ 9.450e+00 1.064e+00 -7.845e-02 -5.260e-02 / CHEB/ 2.111e-01 4.687e-01 6.827e-02 -1.710e-03 / CHEB/ -4.659e-01 9.677e-02 5.860e-02 5.224e-03 / CHEB/ -2.630e-01 -1.180e-02 2.719e-02 2.563e-03 / CHEB/ -6.612e-02 -9.128e-03 2.571e-03 2.398e-03 /

5078.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	+2.6	+4.7	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-6.9	+2.9	+5.3	+5.9

Chebyshev(coeffs=[[-5.8233,0.147492,-0.265892,-0.0127901],[11.5292,1.09376,-0.0219819,-0.0370465],[0.0237232,0.437242,0.0748362,-0.00191379],[-0.464269,0.061156,0.0611582,0.00178359],[-0.243329,-0.0275316,0.0244812,0.00619728],[-0.0569706,-0.0104905,-0.00119955,0.00521856]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 9.25
S298 (cal/mol*K) = 16.09
G298 (kcal/mol) = 4.46

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(123); C7H10(38)(+M)=>C7H10(123)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.823e+00 1.475e-01 -2.659e-01 -1.279e-02 / CHEB/ 1.153e+01 1.094e+00 -2.198e-02 -3.705e-02 / CHEB/ 2.372e-02 4.372e-01 7.484e-02 -1.914e-03 / CHEB/ -4.643e-01 6.116e-02 6.116e-02 1.784e-03 / CHEB/ -2.433e-01 -2.753e-02 2.448e-02 6.197e-03 / CHEB/ -5.697e-02 -1.049e-02 -1.200e-03 5.219e-03 /

5079.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.2	+2.7	+4.4	+4.6
log₁₀(k(10 bar)/[mole,m,s])	-5.6	+2.8	+4.9	+5.3

Chebyshev(coeffs=[[-4.42959,0.00685203,-0.227324,0.00501602],[9.47518,1.04481,-0.0784982,-0.0520415],[0.177386,0.463325,0.0645477,-0.00192661],[-0.464426,0.0983863,0.0574044,0.0047757],[-0.263123,-0.00906621,0.0271733,0.00243626],[-0.0659167,-0.00756115,0.00284503,0.00230154]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.98
S298 (cal/mol*K) = 20.48
G298 (kcal/mol) = 9.88

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(124); C7H10(38)(+M)=>C7H10(124)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.430e+00 6.852e-03 -2.273e-01 5.016e-03 / CHEB/ 9.475e+00 1.045e+00 -7.850e-02 -5.204e-02 / CHEB/ 1.774e-01 4.633e-01 6.455e-02 -1.927e-03 / CHEB/ -4.644e-01 9.839e-02 5.740e-02 4.776e-03 / CHEB/ -2.631e-01 -9.066e-03 2.717e-02 2.436e-03 / CHEB/ -6.592e-02 -7.561e-03 2.845e-03 2.302e-03 /

5080.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.1	+1.4	+2.8	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-6.5	+1.5	+3.3	+3.6

Chebyshev(coeffs=[[-5.34208,-0.0117419,-0.219904,0.00679155],[8.78061,1.03568,-0.0886284,-0.0526792],[0.112745,0.465881,0.0636855,-0.00300095],[-0.489935,0.102994,0.0570704,0.00554924],[-0.274085,-0.00647028,0.0271189,0.00230533],[-0.0701238,-0.00692399,0.00322451,0.00177007]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.51
S298 (cal/mol*K) = 20.05
G298 (kcal/mol) = 7.54

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(125); C7H10(38)(+M)=>C7H10(125)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.342e+00 -1.174e-02 -2.199e-01 6.792e-03 / CHEB/ 8.781e+00 1.036e+00 -8.863e-02 -5.268e-02 / CHEB/ 1.127e-01 4.659e-01 6.369e-02 -3.001e-03 / CHEB/ -4.899e-01 1.030e-01 5.707e-02 5.549e-03 / CHEB/ -2.741e-01 -6.470e-03 2.712e-02 2.305e-03 / CHEB/ -7.012e-02 -6.924e-03 3.225e-03 1.770e-03 /

5081.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.0	-1.8	-0.0	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-10.3	-1.6	+0.5	+1.0

Chebyshev(coeffs=[[-9.24454,0.0491649,-0.241915,6.46406e-05],[9.97723,1.06282,-0.058033,-0.0487556],[0.0946821,0.456791,0.0668374,-0.000690115],[-0.474514,0.0876365,0.0584412,0.00327908],[-0.260555,-0.0148766,0.0269454,0.00314609],[-0.0643011,-0.00881332,0.00181565,0.00342303]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.69
S298 (cal/mol*K) = -2.34
G298 (kcal/mol) = 15.39

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(126); C7H10(38)(+M)=>C7H10(126)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.245e+00 4.916e-02 -2.419e-01 6.464e-05 / CHEB/ 9.977e+00 1.063e+00 -5.803e-02 -4.876e-02 / CHEB/ 9.468e-02 4.568e-01 6.684e-02 -6.901e-04 / CHEB/ -4.745e-01 8.764e-02 5.844e-02 3.279e-03 / CHEB/ -2.606e-01 -1.488e-02 2.695e-02 3.146e-03 / CHEB/ -6.430e-02 -8.813e-03 1.816e-03 3.423e-03 /

5082.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.6	-0.4	+1.3	+1.6
log₁₀(k(10 bar)/[mole,m,s])	-9.0	-0.2	+1.9	+2.3

Chebyshev(coeffs=[[-7.84916,0.044726,-0.240524,0.000624136],[9.94374,1.06109,-0.0600201,-0.049189],[0.107101,0.457524,0.0665708,-0.000752733],[-0.472344,0.0887843,0.058319,0.00341551],[-0.260467,-0.0142722,0.0269925,0.00304833],[-0.0643372,-0.00869525,0.0019333,0.00331312]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.78
S298 (cal/mol*K) = 1.24
G298 (kcal/mol) = 18.41

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(127); C7H10(38)(+M)=>C7H10(127)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.849e+00 4.473e-02 -2.405e-01 6.241e-04 / CHEB/ 9.944e+00 1.061e+00 -6.002e-02 -4.919e-02 / CHEB/ 1.071e-01 4.575e-01 6.657e-02 -7.527e-04 / CHEB/ -4.723e-01 8.878e-02 5.832e-02 3.416e-03 / CHEB/ -2.605e-01 -1.427e-02 2.699e-02 3.048e-03 / CHEB/ -6.434e-02 -8.695e-03 1.933e-03 3.313e-03 /

5083.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-2.9	-1.5	-1.6
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-2.7	-1.0	-0.8

Chebyshev(coeffs=[[-10.0846,0.0785036,-0.250389,-0.00376279],[9.3824,1.07337,-0.0457206,-0.0455391],[-0.165235,0.45167,0.0687604,-0.000602288],[-0.541239,0.0799509,0.0592944,0.00251967],[-0.278641,-0.0187877,0.026486,0.00389966],[-0.0701893,-0.00950302,0.000991604,0.00409331]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -11.10
S298 (cal/mol*K) = -1.37
G298 (kcal/mol) = -10.70

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(128); C7H10(38)(+M)=>C7H10(128)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.008e+01 7.850e-02 -2.504e-01 -3.763e-03 / CHEB/ 9.382e+00 1.073e+00 -4.572e-02 -4.554e-02 / CHEB/ -1.652e-01 4.517e-01 6.876e-02 -6.023e-04 / CHEB/ -5.412e-01 7.995e-02 5.929e-02 2.520e-03 / CHEB/ -2.786e-01 -1.879e-02 2.649e-02 3.900e-03 / CHEB/ -7.019e-02 -9.503e-03 9.916e-04 4.093e-03 /

5084.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.3	-0.5	+2.7	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-11.5	+0.3	+3.7	+4.8

Chebyshev(coeffs=[[-11.4861,1.66122,-0.195773,-0.0752215],[15.9664,0.204733,0.106049,0.0290418],[-0.106248,0.0500977,0.0301889,0.0124678],[-0.294954,-0.00871952,-0.00116519,0.00315315],[-0.191534,0.00019129,0.000381266,0.000537382],[-0.0791596,0.00427931,0.00194037,0.000277488]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 50.12
S298 (cal/mol*K) = 33.19
G298 (kcal/mol) = 40.23

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C4H5(99); C7H10(38), C3H5(129); C7H10(38)(+M)=>C4H5(99)+C3H5(129)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.149e+01 1.661e+00 -1.958e-01 -7.522e-02 / CHEB/ 1.597e+01 2.047e-01 1.060e-01 2.904e-02 / CHEB/ -1.062e-01 5.010e-02 3.019e-02 1.247e-02 / CHEB/ -2.950e-01 -8.720e-03 -1.165e-03 3.153e-03 / CHEB/ -1.915e-01 1.913e-04 3.813e-04 5.374e-04 / CHEB/ -7.916e-02 4.279e-03 1.940e-03 2.775e-04 /

5085.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.4	+1.0	+3.2	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-6.0	+1.8	+4.1	+4.9

Chebyshev(coeffs=[[-5.76515,1.26404,-0.308406,-0.0545255],[9.73239,0.517164,0.154556,-0.0167668],[0.282141,0.0830803,0.0543836,0.0167114],[-0.179061,-0.0315314,-0.00048406,0.0100467],[-0.147788,-0.0121472,-0.00368334,0.00248427],[-0.0583917,0.00828352,0.00165406,-0.000678645]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.30
S298 (cal/mol*K) = 10.27
G298 (kcal/mol) = 23.24

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(130); C7H10(38)(+M)=>H(25)+C7H9(130)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.765e+00 1.264e+00 -3.084e-01 -5.453e-02 / CHEB/ 9.732e+00 5.172e-01 1.546e-01 -1.677e-02 / CHEB/ 2.821e-01 8.308e-02 5.438e-02 1.671e-02 / CHEB/ -1.791e-01 -3.153e-02 -4.841e-04 1.005e-02 / CHEB/ -1.478e-01 -1.215e-02 -3.683e-03 2.484e-03 / CHEB/ -5.839e-02 8.284e-03 1.654e-03 -6.786e-04 /

5086.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.2	-2.3	+1.1	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-13.5	-1.5	+2.1	+3.4

Chebyshev(coeffs=[[-13.2568,1.63997,-0.205317,-0.0765311],[16.057,0.22043,0.111817,0.0284853],[0.0779712,0.0509204,0.0308864,0.012858],[-0.23902,-0.00958218,-0.0013197,0.00335547],[-0.172795,-0.000116943,0.000267626,0.000579091],[-0.072779,0.00476761,0.00214318,0.0002958]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 48.90
S298 (cal/mol*K) = 19.84
G298 (kcal/mol) = 42.99

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(131); C7H10(38)(+M)=>H(25)+C7H9(131)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.326e+01 1.640e+00 -2.053e-01 -7.653e-02 / CHEB/ 1.606e+01 2.204e-01 1.118e-01 2.849e-02 / CHEB/ 7.797e-02 5.092e-02 3.089e-02 1.286e-02 / CHEB/ -2.390e-01 -9.582e-03 -1.320e-03 3.355e-03 / CHEB/ -1.728e-01 -1.169e-04 2.676e-04 5.791e-04 / CHEB/ -7.278e-02 4.768e-03 2.143e-03 2.958e-04 /

5087.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.4	-3.8	-0.0	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-15.6	-2.9	+0.9	+2.3

Chebyshev(coeffs=[[-15.3103,1.66585,-0.193639,-0.0748781],[17.0323,0.201378,0.104772,0.029119],[0.0907211,0.0499119,0.0300414,0.0123884],[-0.237482,-0.00854375,-0.0011356,0.00310898],[-0.172506,0.000247028,0.000400421,0.000527395],[-0.0723949,0.00416481,0.00189033,0.000270622]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 51.90
S298 (cal/mol*K) = 17.14
G298 (kcal/mol) = 46.79

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(132); C7H10(38)(+M)=>H(25)+C7H9(132)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.531e+01 1.666e+00 -1.936e-01 -7.488e-02 / CHEB/ 1.703e+01 2.014e-01 1.048e-01 2.912e-02 / CHEB/ 9.072e-02 4.991e-02 3.004e-02 1.239e-02 / CHEB/ -2.375e-01 -8.544e-03 -1.136e-03 3.109e-03 / CHEB/ -1.725e-01 2.470e-04 4.004e-04 5.274e-04 / CHEB/ -7.239e-02 4.165e-03 1.890e-03 2.706e-04 /

5088.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.6	-1.6	+2.3	+3.8
log₁₀(k(10 bar)/[mole,m,s])	-14.8	-0.7	+3.3	+4.8

Chebyshev(coeffs=[[-14.5601,1.72902,-0.162737,-0.068117],[19.0304,0.157832,0.0868105,0.0286578],[-0.128035,0.0476433,0.0284206,0.0115929],[-0.309218,-0.00701671,-0.00112615,0.00241452],[-0.196083,0.000435116,0.000359429,0.000313394],[-0.0783474,0.0022914,0.000971091,4.61703e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.06
S298 (cal/mol*K) = 33.15
G298 (kcal/mol) = 50.17

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C2H3(100); C7H10(38), C5H7(133); C7H10(38)(+M)=>C2H3(100)+C5H7(133)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.456e+01 1.729e+00 -1.627e-01 -6.812e-02 / CHEB/ 1.903e+01 1.578e-01 8.681e-02 2.866e-02 / CHEB/ -1.280e-01 4.764e-02 2.842e-02 1.159e-02 / CHEB/ -3.092e-01 -7.017e-03 -1.126e-03 2.415e-03 / CHEB/ -1.961e-01 4.351e-04 3.594e-04 3.134e-04 / CHEB/ -7.835e-02 2.291e-03 9.711e-04 4.617e-05 /

5089.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-0.9	+2.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-0.0	+3.3	+4.5

Chebyshev(coeffs=[[-10.829,1.57743,-0.231116,-0.0780944],[14.636,0.268178,0.127256,0.0249473],[0.161914,0.053943,0.0334588,0.0141635],[-0.210807,-0.0126545,-0.00187369,0.00402911],[-0.162537,-0.00143462,-0.000246345,0.00070008],[-0.0691598,0.00594021,0.00253729,0.000251784]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 42.70
S298 (cal/mol*K) = 16.04
G298 (kcal/mol) = 37.92

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(134); C7H10(38)(+M)=>H(25)+C7H9(134)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.083e+01 1.577e+00 -2.311e-01 -7.809e-02 / CHEB/ 1.464e+01 2.682e-01 1.273e-01 2.495e-02 / CHEB/ 1.619e-01 5.394e-02 3.346e-02 1.416e-02 / CHEB/ -2.108e-01 -1.265e-02 -1.874e-03 4.029e-03 / CHEB/ -1.625e-01 -1.435e-03 -2.463e-04 7.001e-04 / CHEB/ -6.916e-02 5.940e-03 2.537e-03 2.518e-04 /

5090.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-0.9	+2.4	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-11.0	-0.0	+3.3	+4.5

H298 (kcal/mol) = 42.70
S298 (cal/mol*K) = 16.04
G298 (kcal/mol) = 37.92

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(135); C7H10(38)(+M)=>H(25)+C7H9(135)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.083e+01 1.577e+00 -2.311e-01 -7.809e-02 / CHEB/ 1.464e+01 2.682e-01 1.273e-01 2.495e-02 / CHEB/ 1.619e-01 5.394e-02 3.346e-02 1.416e-02 / CHEB/ -2.108e-01 -1.265e-02 -1.874e-03 4.029e-03 / CHEB/ -1.625e-01 -1.435e-03 -2.463e-04 7.001e-04 / CHEB/ -6.916e-02 5.940e-03 2.537e-03 2.518e-04 /

5091.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.3	-3.2	+0.7	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-15.5	-2.3	+1.6	+3.2

Chebyshev(coeffs=[[-15.1916,1.68237,-0.185882,-0.0734903],[17.7287,0.189508,0.100128,0.0292606],[0.0985306,0.0493267,0.0295704,0.0121279],[-0.236793,-0.00798201,-0.00105464,0.0029502],[-0.172416,0.00041239,0.000451792,0.000488493],[-0.0719704,0.00372873,0.00169237,0.000236646]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 54.10
S298 (cal/mol*K) = 16.72
G298 (kcal/mol) = 49.12

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(136); C7H10(38)(+M)=>H(25)+C7H9(136)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.519e+01 1.682e+00 -1.859e-01 -7.349e-02 / CHEB/ 1.773e+01 1.895e-01 1.001e-01 2.926e-02 / CHEB/ 9.853e-02 4.933e-02 2.957e-02 1.213e-02 / CHEB/ -2.368e-01 -7.982e-03 -1.055e-03 2.950e-03 / CHEB/ -1.724e-01 4.124e-04 4.518e-04 4.885e-04 / CHEB/ -7.197e-02 3.729e-03 1.692e-03 2.366e-04 /

5092.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.2	+0.2	+3.1	+4.2
log₁₀(k(10 bar)/[mole,m,s])	-9.5	+1.0	+4.0	+5.1

Chebyshev(coeffs=[[-9.41244,1.57153,-0.233374,-0.0780824],[13.946,0.272747,0.128566,0.0244791],[0.0420328,0.0543035,0.0337475,0.0142888],[-0.24579,-0.0129804,-0.00192666,0.00410299],[-0.174024,-0.00158983,-0.000306314,0.00071369],[-0.0731961,0.00603903,0.00256283,0.000241455]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.48
S298 (cal/mol*K) = 24.98
G298 (kcal/mol) = 33.04

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), CH2(137); C7H10(38), C6H8(94); C7H10(38)(+M)=>CH2(137)+C6H8(94)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.412e+00 1.572e+00 -2.334e-01 -7.808e-02 / CHEB/ 1.395e+01 2.727e-01 1.286e-01 2.448e-02 / CHEB/ 4.203e-02 5.430e-02 3.375e-02 1.429e-02 / CHEB/ -2.458e-01 -1.298e-02 -1.927e-03 4.103e-03 / CHEB/ -1.740e-01 -1.590e-03 -3.063e-04 7.137e-04 / CHEB/ -7.320e-02 6.039e-03 2.563e-03 2.415e-04 /

5093.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.6	+4.2	+5.0	+5.2
log₁₀(k(10 bar)/[mole,m,s])	+0.6	+4.8	+5.8	+6.0

Chebyshev(coeffs=[[1.02815,0.649186,-0.265378,-0.0360843],[4.01853,0.965637,0.0202525,-0.0158922],[0.371438,0.182212,0.0659204,-0.0203428],[-0.216203,-0.0464131,0.0361679,0.0103459],[-0.147649,-0.0365241,0.00174266,0.0116688],[-0.039266,0.00181613,-0.00556226,0.00160338]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.21
S298 (cal/mol*K) = -3.35
G298 (kcal/mol) = -2.22

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(138); C7H10(38)(+M)=>C7H10(138)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.028e+00 6.492e-01 -2.654e-01 -3.608e-02 / CHEB/ 4.019e+00 9.656e-01 2.025e-02 -1.589e-02 / CHEB/ 3.714e-01 1.822e-01 6.592e-02 -2.034e-02 / CHEB/ -2.162e-01 -4.641e-02 3.617e-02 1.035e-02 / CHEB/ -1.476e-01 -3.652e-02 1.743e-03 1.167e-02 / CHEB/ -3.927e-02 1.816e-03 -5.562e-03 1.603e-03 /

5094.

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PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.0	+1.8	+4.1	+4.9
log₁₀(k(10 bar)/[mole,m,s])	-5.6	+2.6	+5.0	+5.8

Chebyshev(coeffs=[[-5.398,1.32269,-0.300654,-0.0611092],[10.3383,0.470418,0.15653,-0.00782771],[0.241413,0.0762125,0.0498821,0.0171319],[-0.188336,-0.0280099,-0.00160628,0.00873314],[-0.151544,-0.00987367,-0.00309685,0.00196411],[-0.0610573,0.00815319,0.00209199,-0.000509596]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.61
S298 (cal/mol*K) = -1.23
G298 (kcal/mol) = 22.97

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(139); C7H10(38)(+M)=>C7H10(139)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.398e+00 1.323e+00 -3.007e-01 -6.111e-02 / CHEB/ 1.034e+01 4.704e-01 1.565e-01 -7.828e-03 / CHEB/ 2.414e-01 7.621e-02 4.988e-02 1.713e-02 / CHEB/ -1.883e-01 -2.801e-02 -1.606e-03 8.733e-03 / CHEB/ -1.515e-01 -9.874e-03 -3.097e-03 1.964e-03 / CHEB/ -6.106e-02 8.153e-03 2.092e-03 -5.096e-04 /

5095.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	+2.1	+4.3	+5.1
log₁₀(k(10 bar)/[mole,m,s])	-5.2	+2.9	+5.2	+6.0

Chebyshev(coeffs=[[-5.04935,1.32316,-0.300576,-0.0611586],[10.2513,0.470068,0.156533,-0.00775877],[0.220801,0.0761363,0.0498446,0.0171365],[-0.194436,-0.0279761,-0.00161391,0.00872156],[-0.15356,-0.00985312,-0.00309144,0.00195985],[-0.0617747,0.00815064,0.00209512,-0.000507929]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.48
S298 (cal/mol*K) = 0.24
G298 (kcal/mol) = 22.40

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(140); C7H10(38)(+M)=>C7H10(140)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.049e+00 1.323e+00 -3.006e-01 -6.116e-02 / CHEB/ 1.025e+01 4.701e-01 1.565e-01 -7.759e-03 / CHEB/ 2.208e-01 7.614e-02 4.984e-02 1.714e-02 / CHEB/ -1.944e-01 -2.798e-02 -1.614e-03 8.722e-03 / CHEB/ -1.536e-01 -9.853e-03 -3.091e-03 1.960e-03 / CHEB/ -6.177e-02 8.151e-03 2.095e-03 -5.079e-04 /

5096.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.7	+2.1	+4.1	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-4.3	+2.8	+4.9	+5.7

Chebyshev(coeffs=[[-4.03721,1.17142,-0.312652,-0.0433045],[8.70443,0.601129,0.146137,-0.0304482],[0.373741,0.0915998,0.0621479,0.0158042],[-0.165185,-0.0381669,0.00191424,0.01224],[-0.162354,-0.0148226,-0.00461236,0.00324927],[-0.0507775,0.00816642,0.000807349,-0.00088364]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 6.29
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = 7.09

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(141); C7H10(38)(+M)=>C7H10(141)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.037e+00 1.171e+00 -3.127e-01 -4.330e-02 / CHEB/ 8.704e+00 6.011e-01 1.461e-01 -3.045e-02 / CHEB/ 3.737e-01 9.160e-02 6.215e-02 1.580e-02 / CHEB/ -1.652e-01 -3.817e-02 1.914e-03 1.224e-02 / CHEB/ -1.624e-01 -1.482e-02 -4.612e-03 3.249e-03 / CHEB/ -5.078e-02 8.166e-03 8.073e-04 -8.836e-04 /

5097.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-1.0	+1.9	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-10.3	-0.2	+2.9	+4.0

Chebyshev(coeffs=[[-10.1148,1.51449,-0.253271,-0.0763881],[13.3296,0.321479,0.141415,0.0190509],[0.188167,0.0579016,0.0369433,0.0156777],[-0.198687,-0.0165134,-0.0024526,0.00492045],[-0.141168,-0.00352408,-0.00107527,0.000841566],[-0.0702395,0.00682937,0.00266879,7.72355e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.61
S298 (cal/mol*K) = -1.23
G298 (kcal/mol) = 22.97

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(142); C7H10(38)(+M)=>C7H10(142)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.011e+01 1.514e+00 -2.533e-01 -7.639e-02 / CHEB/ 1.333e+01 3.215e-01 1.414e-01 1.905e-02 / CHEB/ 1.882e-01 5.790e-02 3.694e-02 1.568e-02 / CHEB/ -1.987e-01 -1.651e-02 -2.453e-03 4.920e-03 / CHEB/ -1.412e-01 -3.524e-03 -1.075e-03 8.416e-04 / CHEB/ -7.024e-02 6.829e-03 2.669e-03 7.724e-05 /

5098.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.3	+1.1	+3.2	+3.9
log₁₀(k(10 bar)/[mole,m,s])	-5.9	+1.8	+4.0	+4.8

Chebyshev(coeffs=[[-5.83042,1.09012,-0.421209,-0.10344],[9.80124,0.677867,0.253456,0.0185544],[0.18503,0.0513257,0.0399536,0.0167827],[-0.187943,-0.0442402,-0.00984422,0.00522002],[-0.137231,-0.000154432,0.00270825,0.00424916],[-0.0517086,0.0178486,0.00807804,0.00250117]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.68
S298 (cal/mol*K) = -0.18
G298 (kcal/mol) = 24.73

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(143); C7H10(38)(+M)=>C7H10(143)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.830e+00 1.090e+00 -4.212e-01 -1.034e-01 / CHEB/ 9.801e+00 6.779e-01 2.535e-01 1.855e-02 / CHEB/ 1.850e-01 5.133e-02 3.995e-02 1.678e-02 / CHEB/ -1.879e-01 -4.424e-02 -9.844e-03 5.220e-03 / CHEB/ -1.372e-01 -1.544e-04 2.708e-03 4.249e-03 / CHEB/ -5.171e-02 1.785e-02 8.078e-03 2.501e-03 /

5099.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.4	+1.0	+2.8	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-5.1	+1.7	+3.6	+4.2

Chebyshev(coeffs=[[-4.93966,1.16937,-0.314598,-0.0436395],[8.31848,0.592133,0.144614,-0.03025],[0.226078,0.0951854,0.0616041,0.0149753],[-0.2014,-0.0369343,0.00234187,0.0120817],[-0.15418,-0.0158971,-0.00443209,0.00349244],[-0.0582702,0.00825403,0.000748195,-0.000870474]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.48
S298 (cal/mol*K) = 2.94
G298 (kcal/mol) = 18.60

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(144); C7H10(38)(+M)=>C7H10(144)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.940e+00 1.169e+00 -3.146e-01 -4.364e-02 / CHEB/ 8.318e+00 5.921e-01 1.446e-01 -3.025e-02 / CHEB/ 2.261e-01 9.519e-02 6.160e-02 1.498e-02 / CHEB/ -2.014e-01 -3.693e-02 2.342e-03 1.208e-02 / CHEB/ -1.542e-01 -1.590e-02 -4.432e-03 3.492e-03 / CHEB/ -5.827e-02 8.254e-03 7.482e-04 -8.705e-04 /

5100.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	+1.2	+2.4	+2.7
log₁₀(k(10 bar)/[mole,m,s])	-3.2	+1.9	+3.2	+3.6

Chebyshev(coeffs=[[-2.77056,0.804816,-0.282513,-0.0245883],[5.36355,0.866127,0.0520633,-0.0403953],[0.388159,0.15258,0.0777869,-0.00652489],[-0.193319,-0.0504841,0.0236781,0.0146374],[-0.145359,-0.0305051,-0.00298974,0.00916397],[-0.0441535,0.00543657,-0.00385832,7.73963e-05]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.11
S298 (cal/mol*K) = -8.46
G298 (kcal/mol) = 9.63

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(145); C7H10(38)(+M)=>C7H10(145)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.771e+00 8.048e-01 -2.825e-01 -2.459e-02 / CHEB/ 5.364e+00 8.661e-01 5.206e-02 -4.040e-02 / CHEB/ 3.882e-01 1.526e-01 7.779e-02 -6.525e-03 / CHEB/ -1.933e-01 -5.048e-02 2.368e-02 1.464e-02 / CHEB/ -1.454e-01 -3.051e-02 -2.990e-03 9.164e-03 / CHEB/ -4.415e-02 5.437e-03 -3.858e-03 7.740e-05 /

5101.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.3	+1.9	+3.5	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+2.6	+4.3	+4.9

Chebyshev(coeffs=[[-2.58544,0.882323,-0.283835,-0.0248144],[6.23858,0.857716,0.0752886,-0.0435663],[0.558755,0.129125,0.0831751,0.000430306],[-0.145995,-0.0559016,0.0178431,0.0169281],[-0.133982,-0.0277109,-0.00583316,0.00788242],[-0.045678,0.00730065,-0.00321175,-0.000768135]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.89
S298 (cal/mol*K) = -4.66
G298 (kcal/mol) = 6.27

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(146); C7H10(38)(+M)=>C7H10(146)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.585e+00 8.823e-01 -2.838e-01 -2.481e-02 / CHEB/ 6.239e+00 8.577e-01 7.529e-02 -4.357e-02 / CHEB/ 5.588e-01 1.291e-01 8.318e-02 4.303e-04 / CHEB/ -1.460e-01 -5.590e-02 1.784e-02 1.693e-02 / CHEB/ -1.340e-01 -2.771e-02 -5.833e-03 7.882e-03 / CHEB/ -4.568e-02 7.301e-03 -3.212e-03 -7.681e-04 /

5102.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.2	+3.0	+3.6	+3.7
log₁₀(k(10 bar)/[mole,m,s])	-0.2	+3.5	+4.4	+4.5

Chebyshev(coeffs=[[0.181632,0.573712,-0.262958,-0.0418348],[3.40315,0.985214,0.014171,-0.00442515],[0.325165,0.216507,0.0532927,-0.0235302],[-0.213125,-0.0419066,0.0396279,0.0052255],[-0.148516,-0.0396723,0.00757626,0.0121846],[-0.0358314,-0.000916535,-0.00572411,0.00289041]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -2.99
S298 (cal/mol*K) = -8.11
G298 (kcal/mol) = -0.58

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(147); C7H10(38)(+M)=>C7H10(147)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.816e-01 5.737e-01 -2.630e-01 -4.183e-02 / CHEB/ 3.403e+00 9.852e-01 1.417e-02 -4.425e-03 / CHEB/ 3.252e-01 2.165e-01 5.329e-02 -2.353e-02 / CHEB/ -2.131e-01 -4.191e-02 3.963e-02 5.225e-03 / CHEB/ -1.485e-01 -3.967e-02 7.576e-03 1.218e-02 / CHEB/ -3.583e-02 -9.165e-04 -5.724e-03 2.890e-03 /

5103.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+2.4	+4.3	+4.3	+4.0
log₁₀(k(10 bar)/[mole,m,s])	+2.3	+4.7	+5.0	+4.8

Chebyshev(coeffs=[[2.40815,0.41176,-0.264721,-0.0489915],[1.87659,0.92705,0.00471708,0.0130766],[-0.0479918,0.30565,0.0279153,-0.021081],[-0.252121,0.00675167,0.0308372,-0.00719844],[-0.147471,-0.0376886,0.0183497,0.00744175],[-0.0291959,-0.0102016,0.00126897,0.00488912]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -18.49
S298 (cal/mol*K) = -15.34
G298 (kcal/mol) = -13.92

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(148); C7H10(38)(+M)=>C7H10(148)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.408e+00 4.118e-01 -2.647e-01 -4.899e-02 / CHEB/ 1.877e+00 9.270e-01 4.717e-03 1.308e-02 / CHEB/ -4.799e-02 3.056e-01 2.792e-02 -2.108e-02 / CHEB/ -2.521e-01 6.752e-03 3.084e-02 -7.198e-03 / CHEB/ -1.475e-01 -3.769e-02 1.835e-02 7.442e-03 / CHEB/ -2.920e-02 -1.020e-02 1.269e-03 4.889e-03 /

5104.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.5	+2.4	+3.3	+3.5
log₁₀(k(10 bar)/[mole,m,s])	-1.4	+3.0	+4.1	+4.3

Chebyshev(coeffs=[[-1.04952,0.716618,-0.270862,-0.030173],[4.43749,0.925889,0.0303687,-0.0276575],[0.350315,0.167674,0.0736369,-0.0147426],[-0.21696,-0.0489939,0.0307686,0.0128403],[-0.14992,-0.0341375,-0.000937761,0.0106786],[-0.0427243,0.00372684,-0.00485966,0.000847105]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.69
S298 (cal/mol*K) = -6.14
G298 (kcal/mol) = 5.51

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(149); C7H10(38)(+M)=>C7H10(149)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.050e+00 7.166e-01 -2.709e-01 -3.017e-02 / CHEB/ 4.437e+00 9.259e-01 3.037e-02 -2.766e-02 / CHEB/ 3.503e-01 1.677e-01 7.364e-02 -1.474e-02 / CHEB/ -2.170e-01 -4.899e-02 3.077e-02 1.284e-02 / CHEB/ -1.499e-01 -3.414e-02 -9.378e-04 1.068e-02 / CHEB/ -4.272e-02 3.727e-03 -4.860e-03 8.471e-04 /

5105.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+3.4	+6.1	+6.6	+6.6
log₁₀(k(10 bar)/[mole,m,s])	+3.3	+6.6	+7.4	+7.4

Chebyshev(coeffs=[[3.6698,0.503254,-0.261461,-0.046387],[2.88814,0.984067,0.0123129,0.00483539],[0.261945,0.264818,0.0418364,-0.0234271],[-0.190822,-0.0274872,0.0384735,-0.000705715],[-0.139551,-0.0442086,0.0144074,0.0112576],[-0.0313279,-0.00578326,-0.00348552,0.00443518]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -48.01
S298 (cal/mol*K) = -13.65
G298 (kcal/mol) = -43.94

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(150); C7H10(38)(+M)=>C7H10(150)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.670e+00 5.033e-01 -2.615e-01 -4.639e-02 / CHEB/ 2.888e+00 9.841e-01 1.231e-02 4.835e-03 / CHEB/ 2.619e-01 2.648e-01 4.184e-02 -2.343e-02 / CHEB/ -1.908e-01 -2.749e-02 3.847e-02 -7.057e-04 / CHEB/ -1.396e-01 -4.421e-02 1.441e-02 1.126e-02 / CHEB/ -3.133e-02 -5.783e-03 -3.486e-03 4.435e-03 /

5106.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.1	+5.1	+6.2	+6.4
log₁₀(k(10 bar)/[mole,m,s])	+1.1	+5.7	+6.9	+7.2

Chebyshev(coeffs=[[1.62554,0.685458,-0.267929,-0.0328885],[4.56082,0.946135,0.0250376,-0.0221987],[0.431985,0.172778,0.0706053,-0.0175586],[-0.196943,-0.0476124,0.0333454,0.0119175],[-0.141947,-0.0353425,5.21841e-05,0.0111436],[-0.0388398,0.00292924,-0.00517129,0.00116364]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 2.83
S298 (cal/mol*K) = 0.95
G298 (kcal/mol) = 2.54

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(151); C7H10(38)(+M)=>C7H10(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.626e+00 6.855e-01 -2.679e-01 -3.289e-02 / CHEB/ 4.561e+00 9.461e-01 2.504e-02 -2.220e-02 / CHEB/ 4.320e-01 1.728e-01 7.061e-02 -1.756e-02 / CHEB/ -1.969e-01 -4.761e-02 3.335e-02 1.192e-02 / CHEB/ -1.419e-01 -3.534e-02 5.218e-05 1.114e-02 / CHEB/ -3.884e-02 2.929e-03 -5.171e-03 1.164e-03 /

5107.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.7	+5.8	+8.1	+8.9
log₁₀(k(10 bar)/[mole,m,s])	-1.3	+6.6	+9.0	+9.9

Chebyshev(coeffs=[[-1.03884,1.27642,-0.304541,-0.0547796],[9.89085,0.523016,0.158424,-0.0154917],[0.345274,0.0784964,0.0542398,0.0179052],[-0.159186,-0.0327951,-0.00138543,0.00998332],[-0.140345,-0.0117383,-0.00395142,0.0021824],[-0.056588,0.00828111,0.00171063,-0.000715186]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.66
S298 (cal/mol*K) = 13.88
G298 (kcal/mol) = 17.52

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(152); C7H10(38)(+M)=>C7H10(152)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.039e+00 1.276e+00 -3.045e-01 -5.478e-02 / CHEB/ 9.891e+00 5.230e-01 1.584e-01 -1.549e-02 / CHEB/ 3.453e-01 7.850e-02 5.424e-02 1.791e-02 / CHEB/ -1.592e-01 -3.280e-02 -1.385e-03 9.983e-03 / CHEB/ -1.403e-01 -1.174e-02 -3.951e-03 2.182e-03 / CHEB/ -5.659e-02 8.281e-03 1.711e-03 -7.152e-04 /

5108.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.6	+4.0	+6.2	+7.0
log₁₀(k(10 bar)/[mole,m,s])	-3.1	+4.8	+7.1	+7.9

Chebyshev(coeffs=[[-2.90227,1.2755,-0.307136,-0.0558395],[9.90425,0.508031,0.155204,-0.015034],[0.287049,0.0817082,0.053498,0.0168296],[-0.17701,-0.0308536,-0.000739532,0.00979135],[-0.147251,-0.0116986,-0.00357473,0.00237618],[-0.058468,0.00826745,0.0017476,-0.00064811]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.66
S298 (cal/mol*K) = 13.88
G298 (kcal/mol) = 17.52

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(153); C7H10(38)(+M)=>C7H10(153)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.902e+00 1.276e+00 -3.071e-01 -5.584e-02 / CHEB/ 9.904e+00 5.080e-01 1.552e-01 -1.503e-02 / CHEB/ 2.870e-01 8.171e-02 5.350e-02 1.683e-02 / CHEB/ -1.770e-01 -3.085e-02 -7.395e-04 9.791e-03 / CHEB/ -1.473e-01 -1.170e-02 -3.575e-03 2.376e-03 / CHEB/ -5.847e-02 8.267e-03 1.748e-03 -6.481e-04 /

5109.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.3	+2.7	+4.7	+5.3
log₁₀(k(10 bar)/[mole,m,s])	-3.9	+3.5	+5.5	+6.2

Chebyshev(coeffs=[[-3.74033,1.2423,-0.31051,-0.0520183],[9.13963,0.534424,0.152993,-0.020006],[0.212576,0.0857737,0.0560622,0.0164282],[-0.200675,-0.0328098,5.45988e-05,0.0105301],[-0.154719,-0.0130037,-0.0038807,0.00269791],[-0.060303,0.00829995,0.00146604,-0.000732461]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.14
S298 (cal/mol*K) = 13.43
G298 (kcal/mol) = 15.14

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(154); C7H10(38)(+M)=>C7H10(154)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.740e+00 1.242e+00 -3.105e-01 -5.202e-02 / CHEB/ 9.140e+00 5.344e-01 1.530e-01 -2.001e-02 / CHEB/ 2.126e-01 8.577e-02 5.606e-02 1.643e-02 / CHEB/ -2.007e-01 -3.281e-02 5.460e-05 1.053e-02 / CHEB/ -1.547e-01 -1.300e-02 -3.881e-03 2.698e-03 / CHEB/ -6.030e-02 8.300e-03 1.466e-03 -7.325e-04 /

5110.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	+0.9	+3.2	+4.0
log₁₀(k(10 bar)/[mole,m,s])	-6.6	+1.7	+4.1	+4.9

Chebyshev(coeffs=[[-6.41055,1.33188,-0.299151,-0.0620979],[10.4824,0.463127,0.156538,-0.00642462],[0.244621,0.0751333,0.0491808,0.0171613],[-0.187162,-0.0274363,-0.00174026,0.00852575],[-0.151255,-0.009516,-0.00299688,0.00188933],[-0.0611495,0.00812117,0.00215118,-0.000480406]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 24.41
S298 (cal/mol*K) = -5.38
G298 (kcal/mol) = 26.01

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(155); C7H10(38)(+M)=>C7H10(155)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.411e+00 1.332e+00 -2.992e-01 -6.210e-02 / CHEB/ 1.048e+01 4.631e-01 1.565e-01 -6.425e-03 / CHEB/ 2.446e-01 7.513e-02 4.918e-02 1.716e-02 / CHEB/ -1.872e-01 -2.744e-02 -1.740e-03 8.526e-03 / CHEB/ -1.513e-01 -9.516e-03 -2.997e-03 1.889e-03 / CHEB/ -6.115e-02 8.121e-03 2.151e-03 -4.804e-04 /

5111.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.7	+1.1	+2.4	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-6.1	+1.1	+2.8	+3.0

Chebyshev(coeffs=[[-4.9552,-0.152133,-0.231149,-0.00839877],[7.77182,1.00025,-0.101619,-0.037529],[0.161185,0.44522,0.0387998,-0.0158625],[-0.474475,0.115745,0.0505804,0.0049926],[-0.281704,0.00875785,0.0278646,0.00391999],[-0.0772511,-0.000385099,0.00583655,0.000853083]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 15.65
S298 (cal/mol*K) = 22.69
G298 (kcal/mol) = 8.88

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C3H5(98); C7H10(38), C4H5(156); C7H10(38)(+M)=>C3H5(98)+C4H5(156)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.955e+00 -1.521e-01 -2.311e-01 -8.399e-03 / CHEB/ 7.772e+00 1.000e+00 -1.016e-01 -3.753e-02 / CHEB/ 1.612e-01 4.452e-01 3.880e-02 -1.586e-02 / CHEB/ -4.745e-01 1.157e-01 5.058e-02 4.993e-03 / CHEB/ -2.817e-01 8.758e-03 2.786e-02 3.920e-03 / CHEB/ -7.725e-02 -3.851e-04 5.837e-03 8.531e-04 /

5112.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.2	-3.7	-1.5	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-13.5	-3.5	-0.9	-0.3

Chebyshev(coeffs=[[-12.4941,0.111892,-0.295136,-0.0268848],[12.0351,1.06712,-0.0133407,-0.0290059],[0.000584619,0.418426,0.06039,-0.00889696],[-0.443632,0.06023,0.0558603,-0.000652667],[-0.240454,-0.0229684,0.0249245,0.00650532],[-0.0602046,-0.00750686,0.000399622,0.00572379]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.57
S298 (cal/mol*K) = 13.44
G298 (kcal/mol) = 28.57

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(157); C7H10(38)(+M)=>H(25)+C7H9(157)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.249e+01 1.119e-01 -2.951e-01 -2.688e-02 / CHEB/ 1.204e+01 1.067e+00 -1.334e-02 -2.901e-02 / CHEB/ 5.846e-04 4.184e-01 6.039e-02 -8.897e-03 / CHEB/ -4.436e-01 6.023e-02 5.586e-02 -6.527e-04 / CHEB/ -2.405e-01 -2.297e-02 2.492e-02 6.505e-03 / CHEB/ -6.020e-02 -7.507e-03 3.996e-04 5.724e-03 /

5113.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.0	-4.6	-1.9	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-16.2	-4.0	-1.2	-0.4

Chebyshev(coeffs=[[-15.7321,0.517879,-0.334599,-0.0395808],[15.6133,1.0653,0.073036,-0.0285934],[-0.479893,0.289582,0.110193,-0.0070258],[-0.49551,-0.0364025,0.0442062,0.0161822],[-0.220706,-0.0451328,-0.000695908,0.0125929],[-0.0555787,0.000429925,-0.00805206,0.000995349]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.50
S298 (cal/mol*K) = 32.89
G298 (kcal/mol) = 39.69

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C2H3(100); C7H10(38), C5H7(158); C7H10(38)(+M)=>C2H3(100)+C5H7(158)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.573e+01 5.179e-01 -3.346e-01 -3.958e-02 / CHEB/ 1.561e+01 1.065e+00 7.304e-02 -2.859e-02 / CHEB/ -4.799e-01 2.896e-01 1.102e-01 -7.026e-03 / CHEB/ -4.955e-01 -3.640e-02 4.421e-02 1.618e-02 / CHEB/ -2.207e-01 -4.513e-02 -6.959e-04 1.259e-02 / CHEB/ -5.558e-02 4.299e-04 -8.052e-03 9.953e-04 /

5114.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.3	-4.3	-1.9	-1.3
log₁₀(k(10 bar)/[mole,m,s])	-14.6	-4.0	-1.3	-0.5

Chebyshev(coeffs=[[-13.6936,0.192748,-0.302277,-0.0331458],[13.0068,1.08787,0.00305307,-0.0234951],[-0.0521883,0.403407,0.0713409,-0.0107784],[-0.443591,0.0391307,0.057736,0.000766175],[-0.222283,-0.0329527,0.0213211,0.00909299],[-0.0587239,-0.00856928,-0.0022746,0.00607539]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 34.64
S298 (cal/mol*K) = 14.20
G298 (kcal/mol) = 30.41

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(159); C7H10(38)(+M)=>H(25)+C7H9(159)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.369e+01 1.927e-01 -3.023e-01 -3.315e-02 / CHEB/ 1.301e+01 1.088e+00 3.053e-03 -2.350e-02 / CHEB/ -5.219e-02 4.034e-01 7.134e-02 -1.078e-02 / CHEB/ -4.436e-01 3.913e-02 5.774e-02 7.662e-04 / CHEB/ -2.223e-01 -3.295e-02 2.132e-02 9.093e-03 / CHEB/ -5.872e-02 -8.569e-03 -2.275e-03 6.075e-03 /

5115.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.6	-5.9	-3.3	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-5.5	-2.6	-1.6

Chebyshev(coeffs=[[-16.0188,0.311828,-0.312362,-0.0389976],[14.1647,1.09951,0.0253467,-0.0199646],[-0.128569,0.368529,0.0877427,-0.0128857],[-0.398589,0.00550864,0.0569106,0.0055521],[-0.201427,-0.0443009,0.0136083,0.012396],[-0.0295413,-0.00781193,-0.00572301,0.00517678]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 40.37
S298 (cal/mol*K) = 13.32
G298 (kcal/mol) = 36.40

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(160); C7H10(38)(+M)=>H(25)+C7H9(160)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.602e+01 3.118e-01 -3.124e-01 -3.900e-02 / CHEB/ 1.416e+01 1.100e+00 2.535e-02 -1.996e-02 / CHEB/ -1.286e-01 3.685e-01 8.774e-02 -1.289e-02 / CHEB/ -3.986e-01 5.509e-03 5.691e-02 5.552e-03 / CHEB/ -2.014e-01 -4.430e-02 1.361e-02 1.240e-02 / CHEB/ -2.954e-02 -7.812e-03 -5.723e-03 5.177e-03 /

5116.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.0	-9.9	-6.1	-4.7
log₁₀(k(10 bar)/[mole,m,s])	-23.9	-9.1	-5.2	-3.7

Chebyshev(coeffs=[[-23.4074,0.845188,-0.364921,-0.0461395],[19.6211,0.932889,0.170869,-0.0355552],[-0.333439,0.172464,0.111347,0.0190176],[-0.409879,-0.0708676,0.0105002,0.0215579],[-0.180479,-0.0347895,-0.0145097,0.00398711],[-0.04551,0.00974753,-0.00431414,-0.0037286]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 61.67
S298 (cal/mol*K) = 18.94
G298 (kcal/mol) = 56.03

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(161); C7H10(38)(+M)=>H(25)+C7H9(161)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.341e+01 8.452e-01 -3.649e-01 -4.614e-02 / CHEB/ 1.962e+01 9.329e-01 1.709e-01 -3.556e-02 / CHEB/ -3.334e-01 1.725e-01 1.113e-01 1.902e-02 / CHEB/ -4.099e-01 -7.087e-02 1.050e-02 2.156e-02 / CHEB/ -1.805e-01 -3.479e-02 -1.451e-02 3.987e-03 / CHEB/ -4.551e-02 9.748e-03 -4.314e-03 -3.729e-03 /

5117.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.0	-9.9	-6.1	-4.7
log₁₀(k(10 bar)/[mole,m,s])	-23.9	-9.1	-5.2	-3.7

H298 (kcal/mol) = 61.67
S298 (cal/mol*K) = 18.94
G298 (kcal/mol) = 56.03

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(162); C7H10(38)(+M)=>H(25)+C7H9(162)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.341e+01 8.452e-01 -3.649e-01 -4.614e-02 / CHEB/ 1.962e+01 9.329e-01 1.709e-01 -3.556e-02 / CHEB/ -3.334e-01 1.725e-01 1.113e-01 1.902e-02 / CHEB/ -4.099e-01 -7.087e-02 1.050e-02 2.156e-02 / CHEB/ -1.805e-01 -3.479e-02 -1.451e-02 3.987e-03 / CHEB/ -4.551e-02 9.748e-03 -4.314e-03 -3.729e-03 /

5118.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.5	-9.0	-5.5	-4.2
log₁₀(k(10 bar)/[mole,m,s])	-22.5	-8.4	-4.6	-3.3

Chebyshev(coeffs=[[-21.9789,0.734834,-0.356971,-0.0412245],[18.6495,0.989498,0.138063,-0.0377161],[-0.313363,0.208948,0.115986,0.0100616],[-0.416059,-0.0639123,0.0222747,0.021984],[-0.185565,-0.039531,-0.0116067,0.00738001],[-0.0459671,0.00718971,-0.0062935,-0.00274874]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 58.17
S298 (cal/mol*K) = 18.94
G298 (kcal/mol) = 52.53

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(163); C7H10(38)(+M)=>H(25)+C7H9(163)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.198e+01 7.348e-01 -3.570e-01 -4.122e-02 / CHEB/ 1.865e+01 9.895e-01 1.381e-01 -3.772e-02 / CHEB/ -3.134e-01 2.089e-01 1.160e-01 1.006e-02 / CHEB/ -4.161e-01 -6.391e-02 2.227e-02 2.198e-02 / CHEB/ -1.856e-01 -3.953e-02 -1.161e-02 7.380e-03 / CHEB/ -4.597e-02 7.190e-03 -6.294e-03 -2.749e-03 /

5119.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.4	-8.5	-4.8	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-22.4	-7.8	-3.9	-2.5

Chebyshev(coeffs=[[-21.8563,0.798916,-0.36207,-0.0436925],[19.3089,0.957833,0.157422,-0.0371627],[-0.304863,0.187354,0.113845,0.0153982],[-0.406312,-0.0684208,0.0153921,0.021994],[-0.180529,-0.036852,-0.0135125,0.00541298],[-0.0449357,0.00873915,-0.00519519,-0.00339756]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.37
S298 (cal/mol*K) = 18.52
G298 (kcal/mol) = 54.85

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(164); C7H10(38)(+M)=>H(25)+C7H9(164)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.186e+01 7.989e-01 -3.621e-01 -4.369e-02 / CHEB/ 1.931e+01 9.578e-01 1.574e-01 -3.716e-02 / CHEB/ -3.049e-01 1.874e-01 1.138e-01 1.540e-02 / CHEB/ -4.063e-01 -6.842e-02 1.539e-02 2.199e-02 / CHEB/ -1.805e-01 -3.685e-02 -1.351e-02 5.413e-03 / CHEB/ -4.494e-02 8.739e-03 -5.195e-03 -3.398e-03 /

5120.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	-0.5	+0.9	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-7.5	-0.5	+1.2	+1.4

Chebyshev(coeffs=[[-6.24369,-0.196365,-0.214443,-0.0130487],[7.37355,0.980646,-0.121525,-0.0261214],[0.283479,0.445368,0.0341408,-0.0230448],[-0.454599,0.123425,0.0514783,0.00601669],[-0.278492,0.0142939,0.027445,0.00550578],[-0.0766138,0.00141473,0.00593173,0.000204222]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.10
S298 (cal/mol*K) = 0.16
G298 (kcal/mol) = 7.05

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(165); C7H10(38)(+M)=>C7H10(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.244e+00 -1.964e-01 -2.144e-01 -1.305e-02 / CHEB/ 7.374e+00 9.806e-01 -1.215e-01 -2.612e-02 / CHEB/ 2.835e-01 4.454e-01 3.414e-02 -2.304e-02 / CHEB/ -4.546e-01 1.234e-01 5.148e-02 6.017e-03 / CHEB/ -2.785e-01 1.429e-02 2.745e-02 5.506e-03 / CHEB/ -7.661e-02 1.415e-03 5.932e-03 2.042e-04 /

5121.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.1	-0.4	+1.0	+1.0
log₁₀(k(10 bar)/[mole,m,s])	-7.6	-0.4	+1.4	+1.6

Chebyshev(coeffs=[[-6.23712,-0.194659,-0.215087,-0.0127688],[7.51681,0.981493,-0.120791,-0.0267179],[0.306808,0.445382,0.0343691,-0.0227089],[-0.447052,0.123134,0.051425,0.0059848],[-0.275899,0.0140776,0.0274594,0.00543034],[-0.075676,0.00134253,0.00593475,0.000223337]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.50
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = 7.25

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(166); C7H10(38)(+M)=>C7H10(166)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.237e+00 -1.947e-01 -2.151e-01 -1.277e-02 / CHEB/ 7.517e+00 9.815e-01 -1.208e-01 -2.672e-02 / CHEB/ 3.068e-01 4.454e-01 3.437e-02 -2.271e-02 / CHEB/ -4.471e-01 1.231e-01 5.143e-02 5.985e-03 / CHEB/ -2.759e-01 1.408e-02 2.746e-02 5.430e-03 / CHEB/ -7.568e-02 1.343e-03 5.935e-03 2.233e-04 /

5122.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.9	-3.5	-1.8	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-11.3	-3.4	-1.4	-0.8

Chebyshev(coeffs=[[-10.2333,-0.0886244,-0.248701,-0.00844746],[9.03797,1.03604,-0.0767298,-0.0431455],[0.14191,0.449559,0.0443401,-0.0106245],[-0.404638,0.103567,0.051894,0.00360216],[-0.174056,-0.00296175,0.0288729,0.00323243],[-0.0583162,-0.00475525,0.00514567,0.00199876]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.89
S298 (cal/mol*K) = -4.91
G298 (kcal/mol) = -2.43

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(167); C7H10(38)(+M)=>C7H10(167)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.023e+01 -8.862e-02 -2.487e-01 -8.447e-03 / CHEB/ 9.038e+00 1.036e+00 -7.673e-02 -4.315e-02 / CHEB/ 1.419e-01 4.496e-01 4.434e-02 -1.062e-02 / CHEB/ -4.046e-01 1.036e-01 5.189e-02 3.602e-03 / CHEB/ -1.741e-01 -2.962e-03 2.887e-02 3.232e-03 / CHEB/ -5.832e-02 -4.755e-03 5.146e-03 1.999e-03 /

5123.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.1	-1.7	+0.0	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-9.5	-1.6	+0.5	+1.2

Chebyshev(coeffs=[[-8.68409,-0.0449041,-0.263271,-0.0110211],[9.54457,1.04322,-0.0579245,-0.0429187],[-0.0479639,0.444471,0.0465605,-0.00809019],[-0.388138,0.0950605,0.0522082,0.00200023],[-0.0800486,-0.00728134,0.0286341,0.00316357],[-0.0409302,-0.00567396,0.00445792,0.00303497]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.50
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = 7.25

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(168); C7H10(38)(+M)=>C7H10(168)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.684e+00 -4.490e-02 -2.633e-01 -1.102e-02 / CHEB/ 9.545e+00 1.043e+00 -5.792e-02 -4.292e-02 / CHEB/ -4.796e-02 4.445e-01 4.656e-02 -8.090e-03 / CHEB/ -3.881e-01 9.506e-02 5.221e-02 2.000e-03 / CHEB/ -8.005e-02 -7.281e-03 2.863e-02 3.164e-03 / CHEB/ -4.093e-02 -5.674e-03 4.458e-03 3.035e-03 /

5124.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	-2.1	-0.5	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-2.1	-0.1	+0.3

Chebyshev(coeffs=[[-8.36486,-0.154228,-0.224551,-0.0102574],[8.22498,1.01433,-0.107145,-0.0342264],[0.351837,0.451496,0.0408849,-0.0181281],[-0.434772,0.117571,0.0520454,0.00582013],[-0.269065,0.00826533,0.0278293,0.00431107],[-0.0738603,-0.00133173,0.00570427,0.000603898]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -0.68
S298 (cal/mol*K) = -8.87
G298 (kcal/mol) = 1.96

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(169); C7H10(38)(+M)=>C7H10(169)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.365e+00 -1.542e-01 -2.246e-01 -1.026e-02 / CHEB/ 8.225e+00 1.014e+00 -1.071e-01 -3.423e-02 / CHEB/ 3.518e-01 4.515e-01 4.088e-02 -1.813e-02 / CHEB/ -4.348e-01 1.176e-01 5.205e-02 5.820e-03 / CHEB/ -2.691e-01 8.265e-03 2.783e-02 4.311e-03 / CHEB/ -7.386e-02 -1.332e-03 5.704e-03 6.039e-04 /

5125.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.6	-1.5	+0.3	+0.6
log₁₀(k(10 bar)/[mole,m,s])	-10.0	-1.4	+0.8	+1.3

Chebyshev(coeffs=[[-8.79452,-0.0549135,-0.262948,-0.0105832],[9.76848,1.03184,-0.0602973,-0.0428102],[0.168219,0.440794,0.0452601,-0.00819261],[-0.440692,0.0974474,0.0513756,0.00194748],[-0.260172,-0.00325541,0.0282573,0.00295009],[-0.0686685,-0.00385027,0.00462212,0.0028925]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 7.10
S298 (cal/mol*K) = 1.54
G298 (kcal/mol) = 6.64

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(170); C7H10(38)(+M)=>C7H10(170)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.795e+00 -5.491e-02 -2.629e-01 -1.058e-02 / CHEB/ 9.768e+00 1.032e+00 -6.030e-02 -4.281e-02 / CHEB/ 1.682e-01 4.408e-01 4.526e-02 -8.193e-03 / CHEB/ -4.407e-01 9.745e-02 5.138e-02 1.947e-03 / CHEB/ -2.602e-01 -3.255e-03 2.826e-02 2.950e-03 / CHEB/ -6.867e-02 -3.850e-03 4.622e-03 2.892e-03 /

5126.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.5	-1.3	-0.3	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-6.9	-1.4	-0.1	-0.0

Chebyshev(coeffs=[[-5.51492,-0.344265,-0.191097,-0.0605922],[5.11463,0.875593,-0.123178,0.0566992],[0.437303,0.430414,-0.021339,-0.0536005],[-0.430308,0.149753,0.0596889,-0.0017144],[-0.277308,0.0329694,0.032293,0.0154584],[-0.0776306,0.0080728,0.0032251,0.00221534]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.33
S298 (cal/mol*K) = -7.16
G298 (kcal/mol) = -1.20

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(171); C7H10(38)(+M)=>C7H10(171)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.515e+00 -3.443e-01 -1.911e-01 -6.059e-02 / CHEB/ 5.115e+00 8.756e-01 -1.232e-01 5.670e-02 / CHEB/ 4.373e-01 4.304e-01 -2.134e-02 -5.360e-02 / CHEB/ -4.303e-01 1.498e-01 5.969e-02 -1.714e-03 / CHEB/ -2.773e-01 3.297e-02 3.229e-02 1.546e-02 / CHEB/ -7.763e-02 8.073e-03 3.225e-03 2.215e-03 /

5127.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.3	-7.9	-5.5	-4.8
log₁₀(k(10 bar)/[mole,m,s])	-18.6	-7.6	-4.8	-4.0

Chebyshev(coeffs=[[-17.5762,0.237762,-0.306826,-0.0359608],[13.3227,1.09175,0.0109744,-0.0212932],[0.00275687,0.389133,0.0775488,-0.0119588],[-0.412654,0.026384,0.0578837,0.0022068],[-0.284898,-0.0358723,0.0184018,0.0104349],[-0.0320068,-0.00819799,-0.00358273,0.00591255]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.42
S298 (cal/mol*K) = -3.37
G298 (kcal/mol) = 29.42

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(172); C7H10(38)(+M)=>C7H10(172)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.758e+01 2.378e-01 -3.068e-01 -3.596e-02 / CHEB/ 1.332e+01 1.092e+00 1.097e-02 -2.129e-02 / CHEB/ 2.757e-03 3.891e-01 7.755e-02 -1.196e-02 / CHEB/ -4.127e-01 2.638e-02 5.788e-02 2.207e-03 / CHEB/ -2.849e-01 -3.587e-02 1.840e-02 1.043e-02 / CHEB/ -3.201e-02 -8.198e-03 -3.583e-03 5.913e-03 /

5128.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-6.3	-4.1	-3.5
log₁₀(k(10 bar)/[mole,m,s])	-16.4	-6.1	-3.4	-2.7

Chebyshev(coeffs=[[-15.4033,0.151728,-0.299886,-0.0304343],[12.4853,1.07296,-0.00528535,-0.0256256],[-0.0467183,0.4102,0.0652147,-0.0100826],[-0.447316,0.0503078,0.056711,-0.000234909],[-0.236847,-0.0272062,0.0232709,0.00776905],[-0.0587276,-0.00776619,-0.000815506,0.00597884]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.60
S298 (cal/mol*K) = -1.89
G298 (kcal/mol) = 20.16

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(173); C7H10(38)(+M)=>C7H10(173)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.540e+01 1.517e-01 -2.999e-01 -3.043e-02 / CHEB/ 1.249e+01 1.073e+00 -5.285e-03 -2.563e-02 / CHEB/ -4.672e-02 4.102e-01 6.521e-02 -1.008e-02 / CHEB/ -4.473e-01 5.031e-02 5.671e-02 -2.349e-04 / CHEB/ -2.368e-01 -2.721e-02 2.327e-02 7.769e-03 / CHEB/ -5.873e-02 -7.766e-03 -8.155e-04 5.979e-03 /

5129.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-3.6	-2.2	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-10.9	-3.7	-1.8	-1.5

Chebyshev(coeffs=[[-9.61004,-0.186373,-0.218218,-0.0115476],[7.71049,0.985491,-0.117188,-0.0293991],[0.309586,0.445426,0.0354288,-0.0211637],[-0.443143,0.121719,0.0511795,0.00582864],[-0.274061,0.0130356,0.0275342,0.00507635],[-0.0749316,0.000996466,0.00594144,0.000324483]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 4.47
S298 (cal/mol*K) = -7.28
G298 (kcal/mol) = 6.63

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(174); C7H10(38)(+M)=>C7H10(174)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.610e+00 -1.864e-01 -2.182e-01 -1.155e-02 / CHEB/ 7.710e+00 9.855e-01 -1.172e-01 -2.940e-02 / CHEB/ 3.096e-01 4.454e-01 3.543e-02 -2.116e-02 / CHEB/ -4.431e-01 1.217e-01 5.118e-02 5.829e-03 / CHEB/ -2.741e-01 1.304e-02 2.753e-02 5.076e-03 / CHEB/ -7.493e-02 9.965e-04 5.941e-03 3.245e-04 /

5130.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.6	-6.7	-4.5	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-6.5	-3.9	-3.2

Chebyshev(coeffs=[[-15.9577,0.177668,-0.302633,-0.0324692],[12.6518,1.07622,-0.000341621,-0.0237624],[-0.103007,0.404231,0.0685454,-0.0108622],[-0.457349,0.0436981,0.0571122,0.000271042],[-0.237118,-0.0297957,0.0220249,0.00859339],[-0.0587566,-0.00778052,-0.00161479,0.00603787]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.77
S298 (cal/mol*K) = -1.66
G298 (kcal/mol) = 26.26

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(175); C7H10(38)(+M)=>C7H10(175)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.596e+01 1.777e-01 -3.026e-01 -3.247e-02 / CHEB/ 1.265e+01 1.076e+00 -3.416e-04 -2.376e-02 / CHEB/ -1.030e-01 4.042e-01 6.855e-02 -1.086e-02 / CHEB/ -4.573e-01 4.370e-02 5.711e-02 2.710e-04 / CHEB/ -2.371e-01 -2.980e-02 2.202e-02 8.593e-03 / CHEB/ -5.876e-02 -7.781e-03 -1.615e-03 6.038e-03 /

5131.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.7	-5.7	-3.7	-3.4
log₁₀(k(10 bar)/[mole,m,s])	-15.0	-5.6	-3.2	-2.6

Chebyshev(coeffs=[[-13.9703,0.0543397,-0.286698,-0.0211052],[11.1639,1.05698,-0.02658,-0.0345234],[0.028644,0.428313,0.0541866,-0.00754172],[-0.450618,0.0739284,0.0543054,-0.000481717],[-0.249974,-0.0164166,0.0267272,0.00482495],[-0.0639743,-0.00667466,0.00206857,0.00502436]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.60
S298 (cal/mol*K) = -1.89
G298 (kcal/mol) = 20.16

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(176); C7H10(38)(+M)=>C7H10(176)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.397e+01 5.434e-02 -2.867e-01 -2.111e-02 / CHEB/ 1.116e+01 1.057e+00 -2.658e-02 -3.452e-02 / CHEB/ 2.864e-02 4.283e-01 5.419e-02 -7.542e-03 / CHEB/ -4.506e-01 7.393e-02 5.431e-02 -4.817e-04 / CHEB/ -2.500e-01 -1.642e-02 2.673e-02 4.825e-03 / CHEB/ -6.397e-02 -6.675e-03 2.069e-03 5.024e-03 /

5132.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.1	-7.7	-5.3	-4.6
log₁₀(k(10 bar)/[mole,m,s])	-18.3	-7.4	-4.6	-3.8

Chebyshev(coeffs=[[-17.4209,0.225579,-0.307216,-0.0355752],[13.4578,1.08117,0.0084741,-0.0212005],[-0.091339,0.391892,0.0749976,-0.0121437],[-0.442185,0.0312756,0.0574457,0.00165884],[-0.226656,-0.034164,0.019397,0.0100454],[-0.055054,-0.00750475,-0.00306166,0.00592635]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.42
S298 (cal/mol*K) = -3.37
G298 (kcal/mol) = 29.42

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(177); C7H10(38)(+M)=>C7H10(177)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.742e+01 2.256e-01 -3.072e-01 -3.558e-02 / CHEB/ 1.346e+01 1.081e+00 8.474e-03 -2.120e-02 / CHEB/ -9.134e-02 3.919e-01 7.500e-02 -1.214e-02 / CHEB/ -4.422e-01 3.128e-02 5.745e-02 1.659e-03 / CHEB/ -2.267e-01 -3.416e-02 1.940e-02 1.005e-02 / CHEB/ -5.505e-02 -7.505e-03 -3.062e-03 5.926e-03 /

5133.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.6	-5.4	-3.4	-3.0
log₁₀(k(10 bar)/[mole,m,s])	-14.9	-5.3	-2.8	-2.2

Chebyshev(coeffs=[[-13.8852,0.0712496,-0.289411,-0.0228568],[11.4801,1.06015,-0.0224377,-0.0328699],[0.0325686,0.425661,0.0559008,-0.00786961],[-0.444873,0.069992,0.0547878,-0.000623916],[-0.24596,-0.0183816,0.0262708,0.00528873],[-0.0624222,-0.00697105,0.00159397,0.00526751]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.80
S298 (cal/mol*K) = -2.31
G298 (kcal/mol) = 22.48

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(178); C7H10(38)(+M)=>C7H10(178)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.389e+01 7.125e-02 -2.894e-01 -2.286e-02 / CHEB/ 1.148e+01 1.060e+00 -2.244e-02 -3.287e-02 / CHEB/ 3.257e-02 4.257e-01 5.590e-02 -7.870e-03 / CHEB/ -4.449e-01 6.999e-02 5.479e-02 -6.239e-04 / CHEB/ -2.460e-01 -1.838e-02 2.627e-02 5.289e-03 / CHEB/ -6.242e-02 -6.971e-03 1.594e-03 5.268e-03 /

5134.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.6	-6.7	-4.5	-4.0
log₁₀(k(10 bar)/[mole,m,s])	-16.9	-6.5	-3.9	-3.2

H298 (kcal/mol) = 25.77
S298 (cal/mol*K) = -1.66
G298 (kcal/mol) = 26.26

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(179); C7H10(38)(+M)=>C7H10(179)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.596e+01 1.777e-01 -3.026e-01 -3.247e-02 / CHEB/ 1.265e+01 1.076e+00 -3.416e-04 -2.376e-02 / CHEB/ -1.030e-01 4.042e-01 6.855e-02 -1.086e-02 / CHEB/ -4.573e-01 4.370e-02 5.711e-02 2.710e-04 / CHEB/ -2.371e-01 -2.980e-02 2.202e-02 8.593e-03 / CHEB/ -5.876e-02 -7.781e-03 -1.615e-03 6.038e-03 /

5135.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.3	-5.5	-3.5	-3.1
log₁₀(k(10 bar)/[mole,m,s])	-14.7	-5.3	-3.0	-2.4

Chebyshev(coeffs=[[-13.5579,0.029712,-0.282341,-0.018532],[10.9301,1.05204,-0.0330601,-0.0368818],[0.0745594,0.431835,0.0518502,-0.00721909],[-0.443837,0.079518,0.0535908,-0.000144797],[-0.250811,-0.0135138,0.0272858,0.00421282],[-0.0644971,-0.00616755,0.00272807,0.00461905]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.80
S298 (cal/mol*K) = -2.31
G298 (kcal/mol) = 22.48

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(180); C7H10(38)(+M)=>C7H10(180)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.356e+01 2.971e-02 -2.823e-01 -1.853e-02 / CHEB/ 1.093e+01 1.052e+00 -3.306e-02 -3.688e-02 / CHEB/ 7.456e-02 4.318e-01 5.185e-02 -7.219e-03 / CHEB/ -4.438e-01 7.952e-02 5.359e-02 -1.448e-04 / CHEB/ -2.508e-01 -1.351e-02 2.729e-02 4.213e-03 / CHEB/ -6.450e-02 -6.168e-03 2.728e-03 4.619e-03 /

5136.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	-1.3	+0.4	+0.7
log₁₀(k(10 bar)/[mole,m,s])	-9.7	-1.2	+0.9	+1.4

Chebyshev(coeffs=[[-8.47548,-0.0720441,-0.258077,-0.0094126],[9.52406,1.02708,-0.0668642,-0.0431867],[0.188154,0.442006,0.044151,-0.00892471],[-0.440119,0.100842,0.0510449,0.00248656],[-0.261981,-0.00114948,0.0282863,0.00290271],[-0.0694774,-0.00329403,0.00492124,0.00251172]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.66
S298 (cal/mol*K) = 4.40
G298 (kcal/mol) = 18.34

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(181); C7H10(38)(+M)=>C7H10(181)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.475e+00 -7.204e-02 -2.581e-01 -9.413e-03 / CHEB/ 9.524e+00 1.027e+00 -6.686e-02 -4.319e-02 / CHEB/ 1.882e-01 4.420e-01 4.415e-02 -8.925e-03 / CHEB/ -4.401e-01 1.008e-01 5.104e-02 2.487e-03 / CHEB/ -2.620e-01 -1.149e-03 2.829e-02 2.903e-03 / CHEB/ -6.948e-02 -3.294e-03 4.921e-03 2.512e-03 /

5137.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-1.1	+1.5	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-0.7	+2.2	+3.0

Chebyshev(coeffs=[[-11.3702,0.293604,-0.312318,-0.0384126],[14.2797,1.09025,0.0213351,-0.0197658],[-0.0634707,0.371047,0.0851344,-0.0129656],[-0.454188,0.0133376,0.0570513,0.00449457],[-0.269463,-0.038138,0.014799,0.0117339],[-0.056911,-0.0062907,-0.00507558,0.00528198]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 20.50
S298 (cal/mol*K) = 12.05
G298 (kcal/mol) = 16.91

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(182); C7H10(38)(+M)=>C7H10(182)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.137e+01 2.936e-01 -3.123e-01 -3.841e-02 / CHEB/ 1.428e+01 1.090e+00 2.134e-02 -1.977e-02 / CHEB/ -6.347e-02 3.710e-01 8.513e-02 -1.297e-02 / CHEB/ -4.542e-01 1.334e-02 5.705e-02 4.495e-03 / CHEB/ -2.695e-01 -3.814e-02 1.480e-02 1.173e-02 / CHEB/ -5.691e-02 -6.291e-03 -5.076e-03 5.282e-03 /

5138.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-1.1	+1.5	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-0.7	+2.2	+3.0

H298 (kcal/mol) = 20.50
S298 (cal/mol*K) = 10.67
G298 (kcal/mol) = 17.32

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(183); C7H10(38)(+M)=>C7H10(183)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.137e+01 2.936e-01 -3.123e-01 -3.841e-02 / CHEB/ 1.428e+01 1.090e+00 2.134e-02 -1.977e-02 / CHEB/ -6.347e-02 3.710e-01 8.513e-02 -1.297e-02 / CHEB/ -4.542e-01 1.334e-02 5.705e-02 4.495e-03 / CHEB/ -2.695e-01 -3.814e-02 1.480e-02 1.173e-02 / CHEB/ -5.691e-02 -6.291e-03 -5.076e-03 5.282e-03 /

5139.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.2	-1.2	+1.5	+2.2
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-0.8	+2.2	+3.1

Chebyshev(coeffs=[[-11.5657,0.309334,-0.314547,-0.0389471],[14.495,1.08549,0.0241381,-0.0196936],[-0.13685,0.366622,0.0866084,-0.0133307],[-0.435698,0.00959525,0.0564428,0.00524811],[-0.216078,-0.0401757,0.0139921,0.0120803],[-0.0516806,-0.00610269,-0.00532693,0.00509521]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 21.62
S298 (cal/mol*K) = 11.66
G298 (kcal/mol) = 18.14

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(184); C7H10(38)(+M)=>C7H10(184)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.157e+01 3.093e-01 -3.145e-01 -3.895e-02 / CHEB/ 1.449e+01 1.085e+00 2.414e-02 -1.969e-02 / CHEB/ -1.369e-01 3.666e-01 8.661e-02 -1.333e-02 / CHEB/ -4.357e-01 9.595e-03 5.644e-02 5.248e-03 / CHEB/ -2.161e-01 -4.018e-02 1.399e-02 1.208e-02 / CHEB/ -5.168e-02 -6.103e-03 -5.327e-03 5.095e-03 /

5140.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.5	-5.6	-3.3	-2.7
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-5.3	-2.6	-1.9

Chebyshev(coeffs=[[-14.8847,0.181291,-0.303,-0.0327344],[12.8127,1.07665,0.000335506,-0.0235274],[-0.0802956,0.40336,0.0690205,-0.0109684],[-0.449732,0.0427632,0.0571573,0.000356288],[-0.234172,-0.0301497,0.0218409,0.00870723],[-0.05771,-0.0077766,-0.00172513,0.00603949]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.89
S298 (cal/mol*K) = -7.14
G298 (kcal/mol) = 29.02

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(185); C7H10(38)(+M)=>C7H10(185)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.488e+01 1.813e-01 -3.030e-01 -3.273e-02 / CHEB/ 1.281e+01 1.077e+00 3.355e-04 -2.353e-02 / CHEB/ -8.030e-02 4.034e-01 6.902e-02 -1.097e-02 / CHEB/ -4.497e-01 4.276e-02 5.716e-02 3.563e-04 / CHEB/ -2.342e-01 -3.015e-02 2.184e-02 8.707e-03 / CHEB/ -5.771e-02 -7.777e-03 -1.725e-03 6.039e-03 /

5141.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.8	-1.4	-0.5	-0.8
log₁₀(k(10 bar)/[mole,m,s])	-7.2	-1.5	-0.2	-0.2

Chebyshev(coeffs=[[-5.94044,-0.297279,-0.190408,-0.0441761],[5.44088,0.915711,-0.136764,0.0303204],[0.341249,0.438893,0.00199846,-0.0479051],[-0.469834,0.141432,0.0589916,0.00436021],[-0.285942,0.0266641,0.0281861,0.0119279],[-0.0810046,0.00609344,0.00451512,0.0005295]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 3.77
S298 (cal/mol*K) = -16.35
G298 (kcal/mol) = 8.64

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(186); C7H10(38)(+M)=>C7H10(186)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.940e+00 -2.973e-01 -1.904e-01 -4.418e-02 / CHEB/ 5.441e+00 9.157e-01 -1.368e-01 3.032e-02 / CHEB/ 3.412e-01 4.389e-01 1.998e-03 -4.791e-02 / CHEB/ -4.698e-01 1.414e-01 5.899e-02 4.360e-03 / CHEB/ -2.859e-01 2.666e-02 2.819e-02 1.193e-02 / CHEB/ -8.100e-02 6.093e-03 4.515e-03 5.295e-04 /

5142.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-1.2	+1.3	+2.0
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-0.4	+2.2	+3.0

Chebyshev(coeffs=[[-10.3367,1.4248,-0.324,-0.118578],[13.0313,0.389482,0.196442,0.0507592],[-0.194127,0.0246622,0.0176923,0.00935988],[-0.304704,-0.0252511,-0.0100444,-5.87654e-05],[-0.188026,0.00574022,0.00409215,0.00251662],[-0.0784109,0.0131825,0.00727921,0.00264301]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 41.54
S298 (cal/mol*K) = 24.04
G298 (kcal/mol) = 34.37

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C3H5(129); C7H10(38), C4H5(156); C7H10(38)(+M)=>C3H5(129)+C4H5(156)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.034e+01 1.425e+00 -3.240e-01 -1.186e-01 / CHEB/ 1.303e+01 3.895e-01 1.964e-01 5.076e-02 / CHEB/ -1.941e-01 2.466e-02 1.769e-02 9.360e-03 / CHEB/ -3.047e-01 -2.525e-02 -1.004e-02 -5.877e-05 / CHEB/ -1.880e-01 5.740e-03 4.092e-03 2.517e-03 / CHEB/ -7.841e-02 1.318e-02 7.279e-03 2.643e-03 /

5143.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.0	-4.9	-1.4	-0.1
log₁₀(k(10 bar)/[mole,m,s])	-16.3	-4.0	-0.5	+0.8

Chebyshev(coeffs=[[-16.2033,1.5447,-0.270586,-0.111118],[16.586,0.294299,0.160909,0.052806],[-0.0455893,0.0222503,0.0142016,0.00659447],[-0.269076,-0.0184266,-0.00786177,-0.000482685],[-0.17995,0.00693402,0.00453719,0.00235605],[-0.0764,0.0105401,0.00614543,0.00246993]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 51.35
S298 (cal/mol*K) = 14.39
G298 (kcal/mol) = 47.06

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(187); C7H10(38)(+M)=>H(25)+C7H9(187)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.620e+01 1.545e+00 -2.706e-01 -1.111e-01 / CHEB/ 1.659e+01 2.943e-01 1.609e-01 5.281e-02 / CHEB/ -4.559e-02 2.225e-02 1.420e-02 6.594e-03 / CHEB/ -2.691e-01 -1.843e-02 -7.862e-03 -4.827e-04 / CHEB/ -1.799e-01 6.934e-03 4.537e-03 2.356e-03 / CHEB/ -7.640e-02 1.054e-02 6.145e-03 2.470e-03 /

5144.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-2.5	+0.3	+1.4
log₁₀(k(10 bar)/[mole,m,s])	-11.5	-1.7	+1.2	+2.3

Chebyshev(coeffs=[[-11.4278,1.34344,-0.354902,-0.118869],[12.9817,0.456452,0.216184,0.0452923],[0.118763,0.0278816,0.0212103,0.0113455],[-0.211261,-0.0304777,-0.0112964,0.000587874],[-0.154884,0.00430598,0.00354221,0.00265953],[-0.0653828,0.0144994,0.00767862,0.00260769]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.25
S298 (cal/mol*K) = 6.84
G298 (kcal/mol) = 36.21

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(188); C7H10(38)(+M)=>H(25)+C7H9(188)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.143e+01 1.343e+00 -3.549e-01 -1.189e-01 / CHEB/ 1.298e+01 4.565e-01 2.162e-01 4.529e-02 / CHEB/ 1.188e-01 2.788e-02 2.121e-02 1.135e-02 / CHEB/ -2.113e-01 -3.048e-02 -1.130e-02 5.879e-04 / CHEB/ -1.549e-01 4.306e-03 3.542e-03 2.660e-03 / CHEB/ -6.538e-02 1.450e-02 7.679e-03 2.608e-03 /

5145.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-20.5	-6.2	-2.1	-0.6
log₁₀(k(10 bar)/[mole,m,s])	-19.7	-5.4	-1.2	+0.4

Chebyshev(coeffs=[[-19.4303,1.6279,-0.228174,-0.100055],[19.4192,0.232803,0.133339,0.0494781],[-0.0830674,0.0224326,0.013357,0.0054325],[-0.290354,-0.0149785,-0.00663383,-0.000604482],[-0.189632,0.00650484,0.00421388,0.0021176],[-0.079055,0.00808119,0.00485611,0.00207224]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 60.85
S298 (cal/mol*K) = 15.04
G298 (kcal/mol) = 56.37

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(189); C7H10(38)(+M)=>H(25)+C7H9(189)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.943e+01 1.628e+00 -2.282e-01 -1.001e-01 / CHEB/ 1.942e+01 2.328e-01 1.333e-01 4.948e-02 / CHEB/ -8.307e-02 2.243e-02 1.336e-02 5.432e-03 / CHEB/ -2.904e-01 -1.498e-02 -6.634e-03 -6.045e-04 / CHEB/ -1.896e-01 6.505e-03 4.214e-03 2.118e-03 / CHEB/ -7.905e-02 8.081e-03 4.856e-03 2.072e-03 /

5146.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.1	-4.7	-1.4	-0.0
log₁₀(k(10 bar)/[mole,m,s])	-15.4	-3.9	-0.5	+0.9

Chebyshev(coeffs=[[-15.2415,1.49468,-0.293686,-0.115005],[15.4534,0.339243,0.179426,0.0536002],[0.0764898,0.0222219,0.015258,0.00784586],[-0.192794,-0.0218432,-0.0091693,-0.000479851],[-0.153024,0.0063741,0.00423823,0.00231363],[-0.0505415,0.0113067,0.00646848,0.00251144]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 46.05
S298 (cal/mol*K) = 6.72
G298 (kcal/mol) = 44.05

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(190); C7H10(38)(+M)=>H(25)+C7H9(190)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.524e+01 1.495e+00 -2.937e-01 -1.150e-01 / CHEB/ 1.545e+01 3.392e-01 1.794e-01 5.360e-02 / CHEB/ 7.649e-02 2.222e-02 1.526e-02 7.846e-03 / CHEB/ -1.928e-01 -2.184e-02 -9.169e-03 -4.799e-04 / CHEB/ -1.530e-01 6.374e-03 4.238e-03 2.314e-03 / CHEB/ -5.054e-02 1.131e-02 6.468e-03 2.511e-03 /

5147.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.1	-8.5	-3.9	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-23.3	-7.6	-3.0	-1.2

Chebyshev(coeffs=[[-22.9515,1.66922,-0.205622,-0.0927147],[21.4308,0.204825,0.119691,0.0466812],[-0.0956655,0.022664,0.0132842,0.00520255],[-0.301656,-0.0139553,-0.00635196,-0.000749679],[-0.194223,0.00568333,0.00369892,0.00186849],[-0.0795314,0.00665662,0.00404062,0.00175905]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 67.35
S298 (cal/mol*K) = 12.34
G298 (kcal/mol) = 63.67

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(191); C7H10(38)(+M)=>H(25)+C7H9(191)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.295e+01 1.669e+00 -2.056e-01 -9.271e-02 / CHEB/ 2.143e+01 2.048e-01 1.197e-01 4.668e-02 / CHEB/ -9.567e-02 2.266e-02 1.328e-02 5.203e-03 / CHEB/ -3.017e-01 -1.396e-02 -6.352e-03 -7.497e-04 / CHEB/ -1.942e-01 5.683e-03 3.699e-03 1.868e-03 / CHEB/ -7.953e-02 6.657e-03 4.041e-03 1.759e-03 /

5148.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.1	-8.5	-3.9	-2.1
log₁₀(k(10 bar)/[mole,m,s])	-23.3	-7.6	-3.0	-1.2

H298 (kcal/mol) = 67.35
S298 (cal/mol*K) = 12.34
G298 (kcal/mol) = 63.67

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), H(25); C7H10(38), C7H9(192); C7H10(38)(+M)=>H(25)+C7H9(192)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.295e+01 1.669e+00 -2.056e-01 -9.271e-02 / CHEB/ 2.143e+01 2.048e-01 1.197e-01 4.668e-02 / CHEB/ -9.567e-02 2.266e-02 1.328e-02 5.203e-03 / CHEB/ -3.017e-01 -1.396e-02 -6.352e-03 -7.497e-04 / CHEB/ -1.942e-01 5.683e-03 3.699e-03 1.868e-03 / CHEB/ -7.953e-02 6.657e-03 4.041e-03 1.759e-03 /

5149.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.8	-4.3	-0.5	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-17.0	-3.4	+0.4	+1.8

Chebyshev(coeffs=[[-16.9328,1.61854,-0.233152,-0.10155],[18.4913,0.239448,0.136487,0.05003],[-0.198563,0.0223518,0.0133853,0.00551418],[-0.323085,-0.0152874,-0.00673843,-0.000585633],[-0.200183,0.00662734,0.00429194,0.00215817],[-0.0829498,0.008388,0.00502576,0.00213213]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 56.85
S298 (cal/mol*K) = 23.77
G298 (kcal/mol) = 49.77

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), CH2(137); C7H10(38), C6H8(193); C7H10(38)(+M)=>CH2(137)+C6H8(193)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.693e+01 1.619e+00 -2.332e-01 -1.015e-01 / CHEB/ 1.849e+01 2.394e-01 1.365e-01 5.003e-02 / CHEB/ -1.986e-01 2.235e-02 1.339e-02 5.514e-03 / CHEB/ -3.231e-01 -1.529e-02 -6.738e-03 -5.856e-04 / CHEB/ -2.002e-01 6.627e-03 4.292e-03 2.158e-03 / CHEB/ -8.295e-02 8.388e-03 5.026e-03 2.132e-03 /

5150.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+1.1	+2.7	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-4.4	+1.8	+3.4	+3.9

Chebyshev(coeffs=[[-4.33823,0.835017,-0.449277,-0.0835721],[7.46866,0.88073,0.237684,-0.0120636],[0.198523,0.0696148,0.0525072,0.0133668],[-0.208682,-0.0637116,-0.0069736,0.00770153],[-0.144179,-0.00911277,0.000320954,0.00546192],[-0.049863,0.0181851,0.00623975,0.00229161]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.78
S298 (cal/mol*K) = -6.44
G298 (kcal/mol) = 14.69

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(194); C7H10(38)(+M)=>C7H10(194)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.338e+00 8.350e-01 -4.493e-01 -8.357e-02 / CHEB/ 7.469e+00 8.807e-01 2.377e-01 -1.206e-02 / CHEB/ 1.985e-01 6.961e-02 5.251e-02 1.337e-02 / CHEB/ -2.087e-01 -6.371e-02 -6.974e-03 7.702e-03 / CHEB/ -1.442e-01 -9.113e-03 3.210e-04 5.462e-03 / CHEB/ -4.986e-02 1.819e-02 6.240e-03 2.292e-03 /

5151.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.6	+1.2	+2.8	+3.3
log₁₀(k(10 bar)/[mole,m,s])	-4.5	+1.9	+3.6	+4.1

Chebyshev(coeffs=[[-4.33945,0.839989,-0.449185,-0.0839446],[7.62008,0.876317,0.238286,-0.0116115],[0.222137,0.0693723,0.0522293,0.0134398],[-0.200906,-0.0634382,-0.00712431,0.00764854],[-0.14182,-0.00897989,0.000322867,0.00542263],[-0.0490982,0.0181402,0.00627986,0.00228948]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.18
S298 (cal/mol*K) = -5.80
G298 (kcal/mol) = 14.90

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(195); C7H10(38)(+M)=>C7H10(195)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.339e+00 8.400e-01 -4.492e-01 -8.394e-02 / CHEB/ 7.620e+00 8.763e-01 2.383e-01 -1.161e-02 / CHEB/ 2.221e-01 6.937e-02 5.223e-02 1.344e-02 / CHEB/ -2.009e-01 -6.344e-02 -7.124e-03 7.649e-03 / CHEB/ -1.418e-01 -8.980e-03 3.229e-04 5.423e-03 / CHEB/ -4.910e-02 1.814e-02 6.280e-03 2.289e-03 /

5152.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	-0.1	+2.1	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-7.4	+0.6	+3.0	+3.8

Chebyshev(coeffs=[[-7.35562,1.12749,-0.41559,-0.107829],[10.3266,0.636482,0.246958,0.0216284],[0.183913,0.0423936,0.0337909,0.0148664],[-0.195234,-0.0450946,-0.0123995,0.00347477],[-0.144952,-0.000936278,0.00180387,0.00344522],[-0.0573816,0.0168445,0.00775084,0.00233547]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.78
S298 (cal/mol*K) = -6.44
G298 (kcal/mol) = 14.69

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(196); C7H10(38)(+M)=>C7H10(196)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.356e+00 1.127e+00 -4.156e-01 -1.078e-01 / CHEB/ 1.033e+01 6.365e-01 2.470e-01 2.163e-02 / CHEB/ 1.839e-01 4.239e-02 3.379e-02 1.487e-02 / CHEB/ -1.952e-01 -4.509e-02 -1.240e-02 3.475e-03 / CHEB/ -1.450e-01 -9.363e-04 1.804e-03 3.445e-03 / CHEB/ -5.738e-02 1.684e-02 7.751e-03 2.335e-03 /

5153.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.4	-0.4	+1.8	+2.8
log₁₀(k(10 bar)/[mole,m,s])	-7.0	+0.4	+2.7	+3.7

Chebyshev(coeffs=[[-7.31825,1.13539,-0.413253,-0.107981],[10.1694,0.635446,0.248261,0.0227101],[-0.000408749,0.0427795,0.0339623,0.0150362],[-0.146562,-0.0456792,-0.0127946,0.0033966],[0.0174854,-0.00241158,0.00119942,0.00336791],[-0.0357063,0.0164952,0.00758265,0.00228457]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 13.18
S298 (cal/mol*K) = -5.80
G298 (kcal/mol) = 14.90

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(197); C7H10(38)(+M)=>C7H10(197)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.318e+00 1.135e+00 -4.133e-01 -1.080e-01 / CHEB/ 1.017e+01 6.354e-01 2.483e-01 2.271e-02 / CHEB/ -4.087e-04 4.278e-02 3.396e-02 1.504e-02 / CHEB/ -1.466e-01 -4.568e-02 -1.279e-02 3.397e-03 / CHEB/ 1.749e-02 -2.412e-03 1.199e-03 3.368e-03 / CHEB/ -3.571e-02 1.650e-02 7.583e-03 2.285e-03 /

5154.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.8	-0.1	+2.1	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-7.4	+0.6	+3.0	+3.8

H298 (kcal/mol) = 12.78
S298 (cal/mol*K) = -5.07
G298 (kcal/mol) = 14.28

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(198); C7H10(38)(+M)=>C7H10(198)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.356e+00 1.127e+00 -4.156e-01 -1.078e-01 / CHEB/ 1.033e+01 6.365e-01 2.470e-01 2.163e-02 / CHEB/ 1.839e-01 4.239e-02 3.379e-02 1.487e-02 / CHEB/ -1.952e-01 -4.509e-02 -1.240e-02 3.475e-03 / CHEB/ -1.450e-01 -9.363e-04 1.804e-03 3.445e-03 / CHEB/ -5.738e-02 1.684e-02 7.751e-03 2.335e-03 /

5155.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.1	+0.1	+1.4	+1.8
log₁₀(k(10 bar)/[mole,m,s])	-5.0	+0.7	+2.2	+2.6

Chebyshev(coeffs=[[-4.81328,0.713808,-0.449685,-0.0761623],[6.58962,0.980301,0.220177,-0.0199987],[0.228917,0.0827547,0.0587522,0.0101123],[-0.210508,-0.070365,-0.00247232,0.0086988],[-0.142472,-0.0124988,0.000438612,0.00658208],[-0.0459441,0.0182357,0.0053116,0.00255026]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.78
S298 (cal/mol*K) = -6.44
G298 (kcal/mol) = 14.69

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(199); C7H10(38)(+M)=>C7H10(199)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.813e+00 7.138e-01 -4.497e-01 -7.616e-02 / CHEB/ 6.590e+00 9.803e-01 2.202e-01 -2.000e-02 / CHEB/ 2.289e-01 8.275e-02 5.875e-02 1.011e-02 / CHEB/ -2.105e-01 -7.037e-02 -2.472e-03 8.699e-03 / CHEB/ -1.425e-01 -1.250e-02 4.386e-04 6.582e-03 / CHEB/ -4.594e-02 1.824e-02 5.312e-03 2.550e-03 /

5156.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.2	-1.4	+0.6	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-7.9	-0.7	+1.4	+2.0

Chebyshev(coeffs=[[-7.84961,1.0169,-0.434577,-0.0987131],[9.09656,0.728806,0.249904,0.00778941],[0.178104,0.0522191,0.0411029,0.0152123],[-0.201622,-0.0524677,-0.0113181,0.00521532],[-0.145135,-0.00403398,0.00102648,0.00409682],[-0.0548375,0.0175684,0.00734885,0.00223506]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.28
S298 (cal/mol*K) = -5.80
G298 (kcal/mol) = 24.00

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(200); C7H10(38)(+M)=>C7H10(200)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -7.850e+00 1.017e+00 -4.346e-01 -9.871e-02 / CHEB/ 9.097e+00 7.288e-01 2.499e-01 7.789e-03 / CHEB/ 1.781e-01 5.222e-02 4.110e-02 1.521e-02 / CHEB/ -2.016e-01 -5.247e-02 -1.132e-02 5.215e-03 / CHEB/ -1.451e-01 -4.034e-03 1.026e-03 4.097e-03 / CHEB/ -5.484e-02 1.757e-02 7.349e-03 2.235e-03 /

5157.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.4	-1.6	+0.3	+0.9
log₁₀(k(10 bar)/[mole,m,s])	-8.1	-0.9	+1.1	+1.8

Chebyshev(coeffs=[[-8.0203,1.0169,-0.434577,-0.0987131],[9.02981,0.728806,0.249904,0.00778941],[0.163365,0.0522191,0.0411029,0.0152123],[-0.205961,-0.0524677,-0.0113181,0.00521532],[-0.146572,-0.00403398,0.00102648,0.00409682],[-0.0553437,0.0175684,0.00734885,0.00223506]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.28
S298 (cal/mol*K) = -5.80
G298 (kcal/mol) = 24.00

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(201); C7H10(38)(+M)=>C7H10(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.020e+00 1.017e+00 -4.346e-01 -9.871e-02 / CHEB/ 9.030e+00 7.288e-01 2.499e-01 7.789e-03 / CHEB/ 1.634e-01 5.222e-02 4.110e-02 1.521e-02 / CHEB/ -2.060e-01 -5.247e-02 -1.132e-02 5.215e-03 / CHEB/ -1.466e-01 -4.034e-03 1.026e-03 4.097e-03 / CHEB/ -5.534e-02 1.757e-02 7.349e-03 2.235e-03 /

5158.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.2	+1.5	+3.1	+3.6
log₁₀(k(10 bar)/[mole,m,s])	-4.0	+2.1	+3.9	+4.4

Chebyshev(coeffs=[[-3.80832,0.766825,-0.450273,-0.0789768],[7.30364,0.93703,0.228547,-0.0172458],[0.290688,0.0767746,0.0562312,0.0117556],[-0.187474,-0.067523,-0.00458639,0.0083533],[-0.135842,-0.0110263,0.000314301,0.00607068],[-0.045096,0.0182454,0.00573038,0.00241201]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 14.78
S298 (cal/mol*K) = -3.85
G298 (kcal/mol) = 15.92

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(202); C7H10(38)(+M)=>C7H10(202)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.808e+00 7.668e-01 -4.503e-01 -7.898e-02 / CHEB/ 7.304e+00 9.370e-01 2.285e-01 -1.725e-02 / CHEB/ 2.907e-01 7.677e-02 5.623e-02 1.176e-02 / CHEB/ -1.875e-01 -6.752e-02 -4.586e-03 8.353e-03 / CHEB/ -1.358e-01 -1.103e-02 3.143e-04 6.071e-03 / CHEB/ -4.510e-02 1.825e-02 5.730e-03 2.412e-03 /

5159.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-7.5	+0.1	+2.2	+3.0
log₁₀(k(10 bar)/[mole,m,s])	-7.1	+0.8	+3.1	+3.9

Chebyshev(coeffs=[[-6.9894,1.09885,-0.42127,-0.105579],[10.0348,0.660531,0.248552,0.0180235],[0.191937,0.0446421,0.0356495,0.0150796],[-0.194197,-0.0469776,-0.012233,0.00391834],[-0.144132,-0.00165037,0.00159215,0.0035891],[-0.0563013,0.0170012,0.00766736,0.0023101]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.34
S298 (cal/mol*K) = -2.21
G298 (kcal/mol) = 25.99

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(203); C7H10(38)(+M)=>C7H10(203)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.989e+00 1.099e+00 -4.213e-01 -1.056e-01 / CHEB/ 1.003e+01 6.605e-01 2.486e-01 1.802e-02 / CHEB/ 1.919e-01 4.464e-02 3.565e-02 1.508e-02 / CHEB/ -1.942e-01 -4.698e-02 -1.223e-02 3.918e-03 / CHEB/ -1.441e-01 -1.650e-03 1.592e-03 3.589e-03 / CHEB/ -5.630e-02 1.700e-02 7.667e-03 2.310e-03 /

5160.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	+0.1	+3.5	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-10.9	+0.9	+4.4	+5.6

Chebyshev(coeffs=[[-10.5787,1.4859,-0.297771,-0.115748],[15.5468,0.34315,0.180495,0.0530459],[0.135831,0.0217657,0.0151252,0.00788289],[-0.247565,-0.0215302,-0.00892183,-0.00034689],[-0.21886,0.00722181,0.00471958,0.00249377],[-0.0762463,0.0118817,0.00676562,0.00259827]], kunits='s^-1', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.18
S298 (cal/mol*K) = 5.45
G298 (kcal/mol) = 24.56

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(204); C7H10(38)(+M)=>C7H10(204)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.058e+01 1.486e+00 -2.978e-01 -1.157e-01 / CHEB/ 1.555e+01 3.432e-01 1.805e-01 5.305e-02 / CHEB/ 1.358e-01 2.177e-02 1.513e-02 7.883e-03 / CHEB/ -2.476e-01 -2.153e-02 -8.922e-03 -3.469e-04 / CHEB/ -2.189e-01 7.222e-03 4.720e-03 2.494e-03 / CHEB/ -7.625e-02 1.188e-02 6.766e-03 2.598e-03 /

5161.

→

PDepNetwork #24

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	+0.1	+3.5	+4.7
log₁₀(k(10 bar)/[mole,m,s])	-10.9	+0.9	+4.4	+5.6

H298 (kcal/mol) = 26.18
S298 (cal/mol*K) = 4.07
G298 (kcal/mol) = 24.97

! PDep reaction: PDepNetwork #24 ! Flux pairs: C7H10(38), C7H10(205); C7H10(38)(+M)=>C7H10(205)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.058e+01 1.486e+00 -2.978e-01 -1.157e-01 / CHEB/ 1.555e+01 3.432e-01 1.805e-01 5.305e-02 / CHEB/ 1.358e-01 2.177e-02 1.513e-02 7.883e-03 / CHEB/ -2.476e-01 -2.153e-02 -8.922e-03 -3.469e-04 / CHEB/ -2.189e-01 7.222e-03 4.720e-03 2.494e-03 / CHEB/ -7.625e-02 1.188e-02 6.766e-03 2.598e-03 /

5164.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.5	-0.9	+2.0	+3.4
log₁₀(k(10 bar)/[mole,m,s])	-10.5	-1.4	+1.8	+3.3

Chebyshev(coeffs=[[-3.10785,-1.34954,-0.589469,-0.115424],[12.0489,0.939567,0.31364,-0.00120802],[0.403205,0.151407,0.116802,0.0400508],[0.0307283,0.0771534,0.0375292,0.0142206],[-0.0300966,0.0379482,0.0171988,0.00486269],[-0.0390924,-0.0014579,0.0052444,0.00518653]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 27.72
S298 (cal/mol*K) = 36.58
G298 (kcal/mol) = 16.82

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(794); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(794)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.108e+00 -1.350e+00 -5.895e-01 -1.154e-01 / CHEB/ 1.205e+01 9.396e-01 3.136e-01 -1.208e-03 / CHEB/ 4.032e-01 1.514e-01 1.168e-01 4.005e-02 / CHEB/ 3.073e-02 7.715e-02 3.753e-02 1.422e-02 / CHEB/ -3.010e-02 3.795e-02 1.720e-02 4.863e-03 / CHEB/ -3.909e-02 -1.458e-03 5.244e-03 5.187e-03 /

5165.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.1	-6.3	-1.4	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-22.4	-6.5	-1.5	+0.8

Chebyshev(coeffs=[[-15.2,-0.522315,-0.312031,-0.129255],[22.3245,0.312403,0.171338,0.0565986],[-0.151544,0.0548879,0.0434594,0.0276407],[-0.105004,0.0713391,0.0395497,0.0136854],[-0.0639782,0.0265913,0.0157949,0.00634141],[-0.0421092,-0.00703333,-0.00286379,0.000109097]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 70.04
S298 (cal/mol*K) = 53.10
G298 (kcal/mol) = 54.22

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H8(909); H(25), CH3(425); C7H10(1)+H(25)(+M)=>CH3(425)+C6H8(909)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.520e+01 -5.223e-01 -3.120e-01 -1.293e-01 / CHEB/ 2.232e+01 3.124e-01 1.713e-01 5.660e-02 / CHEB/ -1.515e-01 5.489e-02 4.346e-02 2.764e-02 / CHEB/ -1.050e-01 7.134e-02 3.955e-02 1.369e-02 / CHEB/ -6.398e-02 2.659e-02 1.579e-02 6.341e-03 / CHEB/ -4.211e-02 -7.033e-03 -2.864e-03 1.091e-04 /

5166.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-24.3	-7.0	-1.5	+1.2
log₁₀(k(10 bar)/[mole,m,s])	-24.6	-7.2	-1.6	+1.1

Chebyshev(coeffs=[[-17.1546,-0.470489,-0.286223,-0.123297],[24.4008,0.279605,0.157977,0.0566241],[0.0111241,0.0475795,0.0375899,0.0240909],[-0.0573736,0.0673326,0.0381729,0.0139398],[-0.0469351,0.0245735,0.0149285,0.00632587],[-0.0346552,-0.0068595,-0.00308169,-0.000272237]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 76.12
S298 (cal/mol*K) = 57.52
G298 (kcal/mol) = 58.98

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H4(910); H(25), C3H7(433); C7H10(1)+H(25)(+M)=>C3H7(433)+C4H4(910)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.715e+01 -4.705e-01 -2.862e-01 -1.233e-01 / CHEB/ 2.440e+01 2.796e-01 1.580e-01 5.662e-02 / CHEB/ 1.112e-02 4.758e-02 3.759e-02 2.409e-02 / CHEB/ -5.737e-02 6.733e-02 3.817e-02 1.394e-02 / CHEB/ -4.694e-02 2.457e-02 1.493e-02 6.326e-03 / CHEB/ -3.466e-02 -6.859e-03 -3.082e-03 -2.722e-04 /

5167.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-25.9	-9.4	-4.0	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-26.2	-9.6	-4.1	-1.5

Chebyshev(coeffs=[[-18.8244,-0.516534,-0.309212,-0.128662],[23.3548,0.308738,0.169897,0.0566603],[0.0442557,0.0540507,0.042794,0.0272491],[-0.0473881,0.0709198,0.0394136,0.0137192],[-0.0447624,0.0263772,0.0157072,0.00634526],[-0.0351845,-0.00701849,-0.00289219,6.41595e-05]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 71.73
S298 (cal/mol*K) = 39.58
G298 (kcal/mol) = 59.94

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H10(792); H(25), H(25); C7H10(1)+H(25)(+M)=>H(25)+C7H10(792)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.882e+01 -5.165e-01 -3.092e-01 -1.287e-01 / CHEB/ 2.335e+01 3.087e-01 1.699e-01 5.666e-02 / CHEB/ 4.426e-02 5.405e-02 4.279e-02 2.725e-02 / CHEB/ -4.739e-02 7.092e-02 3.941e-02 1.372e-02 / CHEB/ -4.476e-02 2.638e-02 1.571e-02 6.345e-03 / CHEB/ -3.518e-02 -7.018e-03 -2.892e-03 6.416e-05 /

5168.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-4.4	+1.3	+3.2	+4.1
log₁₀(k(10 bar)/[mole,m,s])	-5.8	+0.6	+2.9	+3.9

Chebyshev(coeffs=[[1.7064,-2.04242,-0.661116,-0.0546268],[7.86055,1.54594,0.297376,-0.073816],[0.403912,0.17369,0.155625,0.0291629],[0.00546369,0.0479157,0.0366615,0.0173467],[-0.0320268,0.0422181,0.0132463,0.00490733],[-0.0377995,0.00997701,0.0110594,0.0055132]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -10.28
S298 (cal/mol*K) = 3.97
G298 (kcal/mol) = -11.46

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(911); H(25), C7H11(911); C7H10(1)+H(25)(+M)=>C7H11(911)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.706e+00 -2.042e+00 -6.611e-01 -5.463e-02 / CHEB/ 7.861e+00 1.546e+00 2.974e-01 -7.382e-02 / CHEB/ 4.039e-01 1.737e-01 1.556e-01 2.916e-02 / CHEB/ 5.464e-03 4.792e-02 3.666e-02 1.735e-02 / CHEB/ -3.203e-02 4.222e-02 1.325e-02 4.907e-03 / CHEB/ -3.780e-02 9.977e-03 1.106e-02 5.513e-03 /

5169.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-32.0	-12.1	-5.8	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-32.2	-12.3	-5.9	-2.9

Chebyshev(coeffs=[[-24.6909,-0.328618,-0.209459,-0.0992388],[28.1417,0.190305,0.116004,0.0499684],[-0.142339,0.0302083,0.0231673,0.014606],[-0.103487,0.0533597,0.0322496,0.013652],[-0.0580215,0.0178625,0.0115267,0.00556757],[-0.0340793,-0.00589155,-0.00320526,-0.000993085]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 88.70
S298 (cal/mol*K) = 48.51
G298 (kcal/mol) = 74.24

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C6H9(729); H(25), CH2(137); C7H10(1)+H(25)(+M)=>CH2(137)+C6H9(729)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.469e+01 -3.286e-01 -2.095e-01 -9.924e-02 / CHEB/ 2.814e+01 1.903e-01 1.160e-01 4.997e-02 / CHEB/ -1.423e-01 3.021e-02 2.317e-02 1.461e-02 / CHEB/ -1.035e-01 5.336e-02 3.225e-02 1.365e-02 / CHEB/ -5.802e-02 1.786e-02 1.153e-02 5.568e-03 / CHEB/ -3.408e-02 -5.892e-03 -3.205e-03 -9.931e-04 /

5170.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-49.4	-19.9	-10.4	-5.9
log₁₀(k(10 bar)/[mole,m,s])	-49.4	-19.9	-10.5	-5.9

Chebyshev(coeffs=[[-41.1703,-0.0836391,-0.0570076,-0.030553],[41.7158,0.0316873,0.0215718,0.0115364],[-0.257375,0.0142768,0.0096396,0.00508248],[-0.136989,0.0180692,0.0121331,0.00633419],[-0.0595631,0.00424848,0.00295772,0.00164204],[-0.0262522,-0.00229583,-0.00148003,-0.000715242]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 125.01
S298 (cal/mol*K) = 56.29
G298 (kcal/mol) = 108.24

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C5H9(912); H(25), C2H2(913); C7H10(1)+H(25)(+M)=>C2H2(913)+C5H9(912)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.117e+01 -8.364e-02 -5.701e-02 -3.055e-02 / CHEB/ 4.172e+01 3.169e-02 2.157e-02 1.154e-02 / CHEB/ -2.574e-01 1.428e-02 9.640e-03 5.082e-03 / CHEB/ -1.370e-01 1.807e-02 1.213e-02 6.334e-03 / CHEB/ -5.956e-02 4.248e-03 2.958e-03 1.642e-03 / CHEB/ -2.625e-02 -2.296e-03 -1.480e-03 -7.152e-04 /

5171.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.3	-1.9	+0.5	+1.5
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-2.5	+0.2	+1.4

Chebyshev(coeffs=[[-3.11501,-1.533,-0.627017,-0.103089],[10.2999,1.0686,0.319308,-0.0178269],[0.263407,0.168236,0.126005,0.035286],[-0.0114701,0.0748656,0.0369285,0.0137845],[-0.0419272,0.0407469,0.0171525,0.00492843],[-0.042613,0.00243865,0.00783439,0.00578348]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.42
S298 (cal/mol*K) = 19.59
G298 (kcal/mol) = -10.25

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(914); H(25), C7H11(914); C7H10(1)+H(25)(+M)=>C7H11(914)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.115e+00 -1.533e+00 -6.270e-01 -1.031e-01 / CHEB/ 1.030e+01 1.069e+00 3.193e-01 -1.783e-02 / CHEB/ 2.634e-01 1.682e-01 1.260e-01 3.529e-02 / CHEB/ -1.147e-02 7.487e-02 3.693e-02 1.378e-02 / CHEB/ -4.193e-02 4.075e-02 1.715e-02 4.928e-03 / CHEB/ -4.261e-02 2.439e-03 7.834e-03 5.783e-03 /

5172.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-9.4	-1.0	+1.8	+3.1
log₁₀(k(10 bar)/[mole,m,s])	-10.4	-1.5	+1.5	+3.0

Chebyshev(coeffs=[[-3.08975,-1.36983,-0.597171,-0.115735],[11.8089,0.927227,0.307776,-0.0025235],[0.309365,0.160536,0.117759,0.0378999],[0.00975566,0.0809258,0.0383995,0.0133251],[-0.0353364,0.039711,0.0177839,0.00479809],[-0.0404969,-3.25683e-05,0.00609555,0.00547096]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.59
S298 (cal/mol*K) = 16.21
G298 (kcal/mol) = -22.42

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(915); H(25), C7H11(915); C7H10(1)+H(25)(+M)=>C7H11(915)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.090e+00 -1.370e+00 -5.972e-01 -1.157e-01 / CHEB/ 1.181e+01 9.272e-01 3.078e-01 -2.523e-03 / CHEB/ 3.094e-01 1.605e-01 1.178e-01 3.790e-02 / CHEB/ 9.756e-03 8.093e-02 3.840e-02 1.333e-02 / CHEB/ -3.534e-02 3.971e-02 1.778e-02 4.798e-03 / CHEB/ -4.050e-02 -3.257e-05 6.096e-03 5.471e-03 /

5173.

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PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.8	-1.2	+1.3	+2.4
log₁₀(k(10 bar)/[mole,m,s])	-9.9	-1.8	+1.0	+2.3

Chebyshev(coeffs=[[-2.59248,-1.51389,-0.623955,-0.104703],[10.6378,1.05174,0.31834,-0.015887],[0.306744,0.167529,0.125064,0.0355462],[0.00221324,0.0756493,0.0370697,0.0137212],[-0.0374869,0.0406284,0.0172425,0.00492351],[-0.0410835,0.00214495,0.00764447,0.00575585]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -4.42
S298 (cal/mol*K) = 19.82
G298 (kcal/mol) = -10.32

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(916); H(25), C7H11(916); C7H10(1)+H(25)(+M)=>C7H11(916)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.592e+00 -1.514e+00 -6.240e-01 -1.047e-01 / CHEB/ 1.064e+01 1.052e+00 3.183e-01 -1.589e-02 / CHEB/ 3.067e-01 1.675e-01 1.251e-01 3.555e-02 / CHEB/ 2.213e-03 7.565e-02 3.707e-02 1.372e-02 / CHEB/ -3.749e-02 4.063e-02 1.724e-02 4.924e-03 / CHEB/ -4.108e-02 2.145e-03 7.644e-03 5.756e-03 /

5174.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.9	-0.2	+1.7	+2.6
log₁₀(k(10 bar)/[mole,m,s])	-7.4	-1.0	+1.4	+2.5

Chebyshev(coeffs=[[0.22403,-2.08324,-0.654053,-0.0504493],[7.81912,1.61109,0.291341,-0.0778864],[0.48092,0.16455,0.161204,0.0298316],[0.0258976,0.0432099,0.0367197,0.0185211],[-0.0244064,0.0422749,0.0125597,0.00519973],[-0.0359247,0.00990777,0.010837,0.0053622]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -1.77
S298 (cal/mol*K) = 18.10
G298 (kcal/mol) = -7.16

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(917); H(25), C7H11(917); C7H10(1)+H(25)(+M)=>C7H11(917)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.240e-01 -2.083e+00 -6.541e-01 -5.045e-02 / CHEB/ 7.819e+00 1.611e+00 2.913e-01 -7.789e-02 / CHEB/ 4.809e-01 1.645e-01 1.612e-01 2.983e-02 / CHEB/ 2.590e-02 4.321e-02 3.672e-02 1.852e-02 / CHEB/ -2.441e-02 4.227e-02 1.256e-02 5.200e-03 / CHEB/ -3.592e-02 9.908e-03 1.084e-02 5.362e-03 /

5175.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.8	+3.0	+4.3	+4.8
log₁₀(k(10 bar)/[mole,m,s])	-2.7	+2.1	+3.8	+4.6

Chebyshev(coeffs=[[5.07494,-2.70411,-0.592813,-0.0139826],[5.21839,2.10524,0.139281,-0.105656],[0.335723,0.257611,0.195794,0.00624631],[0.0114622,0.00571979,0.0548271,0.0181349],[-0.00993487,0.0279352,0.00948405,0.00830973],[-0.0297967,0.0203185,0.0100389,0.00501859]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -15.34
S298 (cal/mol*K) = 13.63
G298 (kcal/mol) = -19.40

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(918); H(25), C7H11(918); C7H10(1)+H(25)(+M)=>C7H11(918)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.075e+00 -2.704e+00 -5.928e-01 -1.398e-02 / CHEB/ 5.218e+00 2.105e+00 1.393e-01 -1.057e-01 / CHEB/ 3.357e-01 2.576e-01 1.958e-01 6.246e-03 / CHEB/ 1.146e-02 5.720e-03 5.483e-02 1.813e-02 / CHEB/ -9.935e-03 2.794e-02 9.484e-03 8.310e-03 / CHEB/ -2.980e-02 2.032e-02 1.004e-02 5.019e-03 /

5176.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-2.7	+0.4	+1.7
log₁₀(k(10 bar)/[mole,m,s])	-12.9	-3.2	+0.1	+1.7

Chebyshev(coeffs=[[-5.5929,-1.22663,-0.563587,-0.124259],[13.0247,0.814677,0.294054,0.00865814],[0.304676,0.148404,0.109628,0.0411742],[0.00252339,0.0840502,0.0397577,0.0131098],[-0.046574,0.0386733,0.0180479,0.00458607],[-0.0438149,-0.00223588,0.00431939,0.00500363]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -3.76
S298 (cal/mol*K) = 17.10
G298 (kcal/mol) = -8.85

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C7H11(919); H(25), C7H11(919); C7H10(1)+H(25)(+M)=>C7H11(919)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.593e+00 -1.227e+00 -5.636e-01 -1.243e-01 / CHEB/ 1.302e+01 8.147e-01 2.941e-01 8.658e-03 / CHEB/ 3.047e-01 1.484e-01 1.096e-01 4.117e-02 / CHEB/ 2.523e-03 8.405e-02 3.976e-02 1.311e-02 / CHEB/ -4.657e-02 3.867e-02 1.805e-02 4.586e-03 / CHEB/ -4.381e-02 -2.236e-03 4.319e-03 5.004e-03 /

5177.

→

PDepNetwork #8

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-31.2	-10.6	-4.1	-1.0
log₁₀(k(10 bar)/[mole,m,s])	-31.4	-10.7	-4.1	-1.0

Chebyshev(coeffs=[[-23.7756,-0.303846,-0.195149,-0.0938362],[29.0753,0.174671,0.107795,0.0476992],[-0.142056,0.0276996,0.0210267,0.0131153],[-0.103517,0.0504347,0.0308287,0.0133763],[-0.0571985,0.0165218,0.0107698,0.00530721],[-0.0329493,-0.00564463,-0.00314754,-0.00105842]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 83.42
S298 (cal/mol*K) = 54.67
G298 (kcal/mol) = 67.13

! PDep reaction: PDepNetwork #8 ! Flux pairs: C7H10(1), C4H8(920); H(25), C3H3(785); C7H10(1)+H(25)(+M)=>C3H3(785)+C4H8(920)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.378e+01 -3.038e-01 -1.951e-01 -9.384e-02 / CHEB/ 2.908e+01 1.747e-01 1.078e-01 4.770e-02 / CHEB/ -1.421e-01 2.770e-02 2.103e-02 1.312e-02 / CHEB/ -1.035e-01 5.043e-02 3.083e-02 1.338e-02 / CHEB/ -5.720e-02 1.652e-02 1.077e-02 5.307e-03 / CHEB/ -3.295e-02 -5.645e-03 -3.148e-03 -1.058e-03 /

5178.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.8	-2.4	+1.2	+2.9
log₁₀(k(10 bar)/[mole,m,s])	-13.7	-2.7	+1.1	+2.8

Chebyshev(coeffs=[[-5.69406,-1.13668,-0.15549,0.00261467],[14.0776,0.804304,-0.0680396,-0.0690447],[0.46204,0.253115,0.0716028,-0.010351],[0.022355,-0.036932,0.0455874,0.0111923],[-0.0416688,-0.058922,0.0104322,0.0141731],[-0.0443811,-0.0177042,-0.00732598,0.00543026]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 39.49
S298 (cal/mol*K) = 25.85
G298 (kcal/mol) = 31.79

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C4H5(156); H(25), C3H5(597); C7H9(5)+H(25)(+M)=>C3H5(597)+C4H5(156)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.694e+00 -1.137e+00 -1.555e-01 2.615e-03 / CHEB/ 1.408e+01 8.043e-01 -6.804e-02 -6.904e-02 / CHEB/ 4.620e-01 2.531e-01 7.160e-02 -1.035e-02 / CHEB/ 2.235e-02 -3.693e-02 4.559e-02 1.119e-02 / CHEB/ -4.167e-02 -5.892e-02 1.043e-02 1.417e-02 / CHEB/ -4.438e-02 -1.770e-02 -7.326e-03 5.430e-03 /

5179.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.8	-2.8	+0.5	+2.1
log₁₀(k(10 bar)/[mole,m,s])	-12.8	-3.2	+0.3	+2.0

Chebyshev(coeffs=[[-4.38908,-1.32806,-0.0780592,0.0188407],[11.5762,0.892583,-0.162015,-0.081742],[0.834339,0.331122,0.0576147,-0.0147447],[0.0648591,-0.000471893,0.0508756,0.00712541],[-0.0306864,-0.0655316,0.0224933,0.0110947],[-0.0194247,-0.0388356,-0.000780979,0.00702887]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 28.18
S298 (cal/mol*K) = 9.85
G298 (kcal/mol) = 25.24

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(975); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(975)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.389e+00 -1.328e+00 -7.806e-02 1.884e-02 / CHEB/ 1.158e+01 8.926e-01 -1.620e-01 -8.174e-02 / CHEB/ 8.343e-01 3.311e-01 5.761e-02 -1.474e-02 / CHEB/ 6.486e-02 -4.719e-04 5.088e-02 7.125e-03 / CHEB/ -3.069e-02 -6.553e-02 2.249e-02 1.109e-02 / CHEB/ -1.942e-02 -3.884e-02 -7.810e-04 7.029e-03 /

5180.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.9	-5.3	-1.6	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-16.8	-5.7	-1.7	+0.2

Chebyshev(coeffs=[[-8.62783,-1.16095,-0.143942,0.00359254],[14.1581,0.823041,-0.0819925,-0.0692468],[0.642552,0.261607,0.0715949,-0.011058],[0.0713191,-0.0357192,0.0473556,0.0107043],[-0.0513929,-0.06139,0.011699,0.0142495],[-0.0354331,-0.0199792,-0.00692811,0.00580772]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 38.49
S298 (cal/mol*K) = 10.78
G298 (kcal/mol) = 35.28

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(976); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(976)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.628e+00 -1.161e+00 -1.439e-01 3.593e-03 / CHEB/ 1.416e+01 8.230e-01 -8.199e-02 -6.925e-02 / CHEB/ 6.426e-01 2.616e-01 7.159e-02 -1.106e-02 / CHEB/ 7.132e-02 -3.572e-02 4.736e-02 1.070e-02 / CHEB/ -5.139e-02 -6.139e-02 1.170e-02 1.425e-02 / CHEB/ -3.543e-02 -1.998e-02 -6.928e-03 5.808e-03 /

5181.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.7	-3.7	+0.4	+2.3
log₁₀(k(10 bar)/[mole,m,s])	-16.5	-4.0	+0.3	+2.2

Chebyshev(coeffs=[[-8.55577,-0.979444,-0.212277,-0.00613805],[16.4679,0.710637,0.0103984,-0.0650816],[0.405859,0.193354,0.0783739,-0.00260137],[0.0190341,-0.0476903,0.0325192,0.016239],[-0.0511626,-0.0413821,0.00036318,0.0124409],[-0.0563585,-0.00533485,-0.00795016,0.00200135]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 49.15
S298 (cal/mol*K) = 26.35
G298 (kcal/mol) = 41.30

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C6H7(977); H(25), CH3(425); C7H9(5)+H(25)(+M)=>CH3(425)+C6H7(977)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.556e+00 -9.794e-01 -2.123e-01 -6.138e-03 / CHEB/ 1.647e+01 7.106e-01 1.040e-02 -6.508e-02 / CHEB/ 4.059e-01 1.934e-01 7.837e-02 -2.601e-03 / CHEB/ 1.903e-02 -4.769e-02 3.252e-02 1.624e-02 / CHEB/ -5.116e-02 -4.138e-02 3.632e-04 1.244e-02 / CHEB/ -5.636e-02 -5.335e-03 -7.950e-03 2.001e-03 /

5182.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.4	-7.9	-3.3	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-22.1	-8.2	-3.4	-1.2

Chebyshev(coeffs=[[-14.1758,-0.857559,-0.246931,-0.0165763],[18.6417,0.62159,0.0654861,-0.0568713],[0.448713,0.156599,0.077087,0.00455227],[0.0287165,-0.0445196,0.0203828,0.0178671],[-0.0541437,-0.0278174,-0.00388467,0.00904256],[-0.0595365,-0.00127219,-0.00600651,-0.000160063]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 56.29
S298 (cal/mol*K) = 16.40
G298 (kcal/mol) = 51.40

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(978); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(978)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.418e+01 -8.576e-01 -2.469e-01 -1.658e-02 / CHEB/ 1.864e+01 6.216e-01 6.549e-02 -5.687e-02 / CHEB/ 4.487e-01 1.566e-01 7.709e-02 4.552e-03 / CHEB/ 2.872e-02 -4.452e-02 2.038e-02 1.787e-02 / CHEB/ -5.414e-02 -2.782e-02 -3.885e-03 9.043e-03 / CHEB/ -5.954e-02 -1.272e-03 -6.007e-03 -1.601e-04 /

5183.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.8	-8.6	-3.7	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-23.4	-8.8	-3.9	-1.6

Chebyshev(coeffs=[[-15.4995,-0.791503,-0.260621,-0.0240278],[19.6263,0.56877,0.0913241,-0.0496573],[0.415243,0.141379,0.0737079,0.00850385],[0.014692,-0.0406675,0.014412,0.0174362],[-0.0611257,-0.0220851,-0.00472627,0.00699129],[-0.0622082,-0.000504217,-0.00472361,-0.000805128]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 59.79
S298 (cal/mol*K) = 16.40
G298 (kcal/mol) = 54.90

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(979); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(979)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.550e+01 -7.915e-01 -2.606e-01 -2.403e-02 / CHEB/ 1.963e+01 5.688e-01 9.132e-02 -4.966e-02 / CHEB/ 4.152e-01 1.414e-01 7.371e-02 8.504e-03 / CHEB/ 1.469e-02 -4.067e-02 1.441e-02 1.744e-02 / CHEB/ -6.113e-02 -2.209e-02 -4.726e-03 6.991e-03 / CHEB/ -6.221e-02 -5.042e-04 -4.724e-03 -8.051e-04 /

5184.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.8	-8.6	-3.7	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-23.4	-8.8	-3.9	-1.6

H298 (kcal/mol) = 59.79
S298 (cal/mol*K) = 16.40
G298 (kcal/mol) = 54.90

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(980); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(980)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.550e+01 -7.915e-01 -2.606e-01 -2.403e-02 / CHEB/ 1.963e+01 5.688e-01 9.132e-02 -4.966e-02 / CHEB/ 4.152e-01 1.414e-01 7.371e-02 8.504e-03 / CHEB/ 1.469e-02 -4.067e-02 1.441e-02 1.744e-02 / CHEB/ -6.113e-02 -2.209e-02 -4.726e-03 6.991e-03 / CHEB/ -6.221e-02 -5.042e-04 -4.724e-03 -8.051e-04 /

5185.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.4	-7.9	-3.3	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-22.1	-8.2	-3.4	-1.2

H298 (kcal/mol) = 56.29
S298 (cal/mol*K) = 16.40
G298 (kcal/mol) = 51.40

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H9(981); H(25), H(25); C7H9(5)+H(25)(+M)=>H(25)+C7H9(981)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.418e+01 -8.576e-01 -2.469e-01 -1.658e-02 / CHEB/ 1.864e+01 6.216e-01 6.549e-02 -5.687e-02 / CHEB/ 4.487e-01 1.566e-01 7.709e-02 4.552e-03 / CHEB/ 2.872e-02 -4.452e-02 2.038e-02 1.787e-02 / CHEB/ -5.414e-02 -2.782e-02 -3.885e-03 9.043e-03 / CHEB/ -5.954e-02 -1.272e-03 -6.007e-03 -1.601e-04 /

5186.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-5.6	-0.4	+1.6	+2.5
log₁₀(k(10 bar)/[mole,m,s])	-6.8	-1.1	+1.3	+2.4

Chebyshev(coeffs=[[1.85613,-1.73887,-0.0615439,0.0110096],[5.59387,1.05508,-0.14395,-0.0162014],[1.00683,0.407801,-0.0327184,-0.0869425],[-0.0195408,0.0734141,0.0469644,0.00656858],[-0.0748122,-0.00876858,0.0263922,0.0250617],[-0.0138248,-0.0387628,0.00380667,0.00268188]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -7.85
S298 (cal/mol*K) = -9.59
G298 (kcal/mol) = -4.99

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(837); H(25), C7H10(837); C7H9(5)+H(25)(+M)=>C7H10(837)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 1.856e+00 -1.739e+00 -6.154e-02 1.101e-02 / CHEB/ 5.594e+00 1.055e+00 -1.439e-01 -1.620e-02 / CHEB/ 1.007e+00 4.078e-01 -3.272e-02 -8.694e-02 / CHEB/ -1.954e-02 7.341e-02 4.696e-02 6.569e-03 / CHEB/ -7.481e-02 -8.769e-03 2.639e-02 2.506e-02 / CHEB/ -1.382e-02 -3.876e-02 3.807e-03 2.682e-03 /

5187.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-6.9	-0.3	+2.1	+3.2
log₁₀(k(10 bar)/[mole,m,s])	-8.0	-0.9	+1.8	+3.1

Chebyshev(coeffs=[[0.572426,-1.58442,-0.0346332,0.0501133],[7.64707,1.00925,-0.205232,-0.0988139],[0.942962,0.371325,0.0233903,-0.0406337],[-0.00315607,0.057461,0.0456609,0.0157557],[-0.06217,-0.0337048,0.0246281,0.011216],[-0.0109704,-0.0502116,0.00807525,0.00102571]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.65
S298 (cal/mol*K) = -0.01
G298 (kcal/mol) = 5.66

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(982); H(25), C7H10(982); C7H9(5)+H(25)(+M)=>C7H10(982)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 5.724e-01 -1.584e+00 -3.463e-02 5.011e-02 / CHEB/ 7.647e+00 1.009e+00 -2.052e-01 -9.881e-02 / CHEB/ 9.430e-01 3.713e-01 2.339e-02 -4.063e-02 / CHEB/ -3.156e-03 5.746e-02 4.566e-02 1.576e-02 / CHEB/ -6.217e-02 -3.370e-02 2.463e-02 1.122e-02 / CHEB/ -1.097e-02 -5.021e-02 8.075e-03 1.026e-03 /

5188.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.6	-6.6	-2.8	-0.9
log₁₀(k(10 bar)/[mole,m,s])	-18.5	-7.0	-2.9	-1.0

Chebyshev(coeffs=[[-10.338,-1.12978,-0.158196,0.00231897],[14.7777,0.800728,-0.064487,-0.0689946],[0.589475,0.250346,0.0720243,-0.0100385],[0.061078,-0.0378377,0.0451613,0.0114409],[-0.0291487,-0.0583154,0.00993901,0.0141758],[-0.0405116,-0.0170087,-0.00745731,0.0052974]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.75
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = 18.56

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(839); H(25), C7H10(839); C7H9(5)+H(25)(+M)=>C7H10(839)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.034e+01 -1.130e+00 -1.582e-01 2.319e-03 / CHEB/ 1.478e+01 8.007e-01 -6.449e-02 -6.899e-02 / CHEB/ 5.895e-01 2.503e-01 7.202e-02 -1.004e-02 / CHEB/ 6.108e-02 -3.784e-02 4.516e-02 1.144e-02 / CHEB/ -2.915e-02 -5.832e-02 9.939e-03 1.418e-02 / CHEB/ -4.051e-02 -1.701e-02 -7.457e-03 5.297e-03 /

5189.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.9	-3.4	-1.5	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-10.1	-4.1	-1.8	-0.8

Chebyshev(coeffs=[[-1.61299,-1.65577,-0.0403319,0.0370313],[6.09989,1.04729,-0.188242,-0.0682544],[0.842871,0.377627,0.00195694,-0.0623826],[-0.0585582,0.0652885,0.0488327,0.0165548],[-0.0822189,-0.0228921,0.0236541,0.0159238],[-0.0163723,-0.0475541,0.00717897,0.000182421]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -17.44
S298 (cal/mol*K) = -15.99
G298 (kcal/mol) = -12.67

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(983); H(25), C7H10(983); C7H9(5)+H(25)(+M)=>C7H10(983)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.613e+00 -1.656e+00 -4.033e-02 3.703e-02 / CHEB/ 6.100e+00 1.047e+00 -1.882e-01 -6.825e-02 / CHEB/ 8.429e-01 3.776e-01 1.957e-03 -6.238e-02 / CHEB/ -5.856e-02 6.529e-02 4.883e-02 1.655e-02 / CHEB/ -8.222e-02 -2.289e-02 2.365e-02 1.592e-02 / CHEB/ -1.637e-02 -4.755e-02 7.179e-03 1.824e-04 /

5190.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-4.4	-1.7	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-12.6	-5.0	-2.0	-0.5

Chebyshev(coeffs=[[-3.99432,-1.52419,-0.0377282,0.0512477],[8.49825,0.979031,-0.205504,-0.109154],[0.988284,0.368245,0.0344474,-0.0279605],[0.0522642,0.0462078,0.0456636,0.0139814],[-0.0409763,-0.0436293,0.0256355,0.00900364],[0.00889955,-0.0510017,0.00723465,0.00252034]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 5.31
S298 (cal/mol*K) = -7.96
G298 (kcal/mol) = 7.69

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(984); H(25), C7H10(984); C7H9(5)+H(25)(+M)=>C7H10(984)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.994e+00 -1.524e+00 -3.773e-02 5.125e-02 / CHEB/ 8.498e+00 9.790e-01 -2.055e-01 -1.092e-01 / CHEB/ 9.883e-01 3.682e-01 3.445e-02 -2.796e-02 / CHEB/ 5.226e-02 4.621e-02 4.566e-02 1.398e-02 / CHEB/ -4.098e-02 -4.363e-02 2.564e-02 9.004e-03 / CHEB/ 8.900e-03 -5.100e-02 7.235e-03 2.520e-03 /

5191.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-14.1	-5.4	-2.3	-0.7
log₁₀(k(10 bar)/[mole,m,s])	-15.1	-5.9	-2.5	-0.9

Chebyshev(coeffs=[[-6.79147,-1.34857,-0.0742027,0.0215201],[11.1787,0.886758,-0.167772,-0.0836784],[0.763887,0.340468,0.0528393,-0.0160522],[0.0462689,0.00898568,0.0496003,0.00651648],[-0.0342373,-0.0623963,0.0237557,0.0103627],[-0.0194882,-0.0410402,0.000864638,0.00689773]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.75
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = 18.56

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(985); H(25), C7H10(985); C7H9(5)+H(25)(+M)=>C7H10(985)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.791e+00 -1.349e+00 -7.420e-02 2.152e-02 / CHEB/ 1.118e+01 8.868e-01 -1.678e-01 -8.368e-02 / CHEB/ 7.639e-01 3.405e-01 5.284e-02 -1.605e-02 / CHEB/ 4.627e-02 8.986e-03 4.960e-02 6.516e-03 / CHEB/ -3.424e-02 -6.240e-02 2.376e-02 1.036e-02 / CHEB/ -1.949e-02 -4.104e-02 8.646e-04 6.898e-03 /

5192.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.9	-6.8	-3.2	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-17.8	-7.2	-3.4	-1.6

Chebyshev(coeffs=[[-9.61546,-1.22153,-0.121537,0.00656879],[13.3899,0.843164,-0.111304,-0.0700669],[0.660598,0.288521,0.0653061,-0.0137912],[0.0622596,-0.0225061,0.0494847,0.00824967],[-0.0263863,-0.0642776,0.0164705,0.0135085],[-0.0312215,-0.0269558,-0.00493404,0.00675675]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.61
S298 (cal/mol*K) = -2.34
G298 (kcal/mol) = 27.31

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(986); H(25), C7H10(986); C7H9(5)+H(25)(+M)=>C7H10(986)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.615e+00 -1.222e+00 -1.215e-01 6.569e-03 / CHEB/ 1.339e+01 8.432e-01 -1.113e-01 -7.007e-02 / CHEB/ 6.606e-01 2.885e-01 6.531e-02 -1.379e-02 / CHEB/ 6.226e-02 -2.251e-02 4.948e-02 8.250e-03 / CHEB/ -2.639e-02 -6.428e-02 1.647e-02 1.351e-02 / CHEB/ -3.122e-02 -2.696e-02 -4.934e-03 6.757e-03 /

5193.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.3	-3.6	-0.8	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-12.4	-4.2	-1.0	+0.4

Chebyshev(coeffs=[[-3.93097,-1.45205,-0.0483907,0.0432244],[9.51422,0.929392,-0.196048,-0.10572],[0.868175,0.365495,0.042087,-0.0190809],[0.0293736,0.034758,0.0462098,0.0099453],[-0.0454427,-0.0518301,0.0260669,0.00817059],[-0.0128349,-0.0484225,0.00547839,0.00466572]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.75
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = 18.56

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(840); H(25), C7H10(840); C7H9(5)+H(25)(+M)=>C7H10(840)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.931e+00 -1.452e+00 -4.839e-02 4.322e-02 / CHEB/ 9.514e+00 9.294e-01 -1.960e-01 -1.057e-01 / CHEB/ 8.682e-01 3.655e-01 4.209e-02 -1.908e-02 / CHEB/ 2.937e-02 3.476e-02 4.621e-02 9.945e-03 / CHEB/ -4.544e-02 -5.183e-02 2.607e-02 8.171e-03 / CHEB/ -1.283e-02 -4.842e-02 5.478e-03 4.666e-03 /

5194.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.8	-6.7	-3.1	-1.4
log₁₀(k(10 bar)/[mole,m,s])	-17.7	-7.1	-3.3	-1.5

Chebyshev(coeffs=[[-9.4854,-1.22153,-0.121537,0.00656879],[13.3231,0.843164,-0.111304,-0.0700669],[0.645858,0.288521,0.0653061,-0.0137912],[0.0579199,-0.0225061,0.0494847,0.00824967],[-0.0278231,-0.0642776,0.0164705,0.0135085],[-0.0317277,-0.0269558,-0.00493404,0.00675675]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 26.61
S298 (cal/mol*K) = -2.34
G298 (kcal/mol) = 27.31

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(987); H(25), C7H10(987); C7H9(5)+H(25)(+M)=>C7H10(987)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.485e+00 -1.222e+00 -1.215e-01 6.569e-03 / CHEB/ 1.332e+01 8.432e-01 -1.113e-01 -7.007e-02 / CHEB/ 6.459e-01 2.885e-01 6.531e-02 -1.379e-02 / CHEB/ 5.792e-02 -2.251e-02 4.948e-02 8.250e-03 / CHEB/ -2.782e-02 -6.428e-02 1.647e-02 1.351e-02 / CHEB/ -3.173e-02 -2.696e-02 -4.934e-03 6.757e-03 /

5195.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.5	-3.9	-1.1	+0.3
log₁₀(k(10 bar)/[mole,m,s])	-12.5	-4.4	-1.3	+0.2

Chebyshev(coeffs=[[-4.10166,-1.45205,-0.0483907,0.0432244],[9.44747,0.929392,-0.196048,-0.10572],[0.853436,0.365495,0.042087,-0.0190809],[0.0250339,0.034758,0.0462098,0.0099453],[-0.0468795,-0.0518301,0.0260669,0.00817059],[-0.0133411,-0.0484225,0.00547839,0.00466572]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 17.75
S298 (cal/mol*K) = -2.71
G298 (kcal/mol) = 18.56

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(988); H(25), C7H10(988); C7H9(5)+H(25)(+M)=>C7H10(988)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.102e+00 -1.452e+00 -4.839e-02 4.322e-02 / CHEB/ 9.447e+00 9.294e-01 -1.960e-01 -1.057e-01 / CHEB/ 8.534e-01 3.655e-01 4.209e-02 -1.908e-02 / CHEB/ 2.503e-02 3.476e-02 4.621e-02 9.945e-03 / CHEB/ -4.688e-02 -5.183e-02 2.607e-02 8.171e-03 / CHEB/ -1.334e-02 -4.842e-02 5.478e-03 4.666e-03 /

5196.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.1	-1.0	+3.0	+5.0
log₁₀(k(10 bar)/[mole,m,s])	-12.9	-1.3	+2.8	+4.9

Chebyshev(coeffs=[[-4.83084,-1.11189,-0.163424,0.0014536],[15.0566,0.796826,-0.0562748,-0.0688334],[0.594194,0.242381,0.0740799,-0.00890829],[0.0882799,-0.0421633,0.0440361,0.012404],[0.011529,-0.0581964,0.00841302,0.0142839],[-0.0323169,-0.0150572,-0.00811731,0.00483087]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.05
S298 (cal/mol*K) = 11.30
G298 (kcal/mol) = 18.68

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(989); H(25), C7H10(989); C7H9(5)+H(25)(+M)=>C7H10(989)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -4.831e+00 -1.112e+00 -1.634e-01 1.454e-03 / CHEB/ 1.506e+01 7.968e-01 -5.627e-02 -6.883e-02 / CHEB/ 5.942e-01 2.424e-01 7.408e-02 -8.908e-03 / CHEB/ 8.828e-02 -4.216e-02 4.404e-02 1.240e-02 / CHEB/ 1.153e-02 -5.820e-02 8.413e-03 1.428e-02 / CHEB/ -3.232e-02 -1.506e-02 -8.117e-03 4.831e-03 /

5197.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.8	-0.4	+3.4	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-11.8	-0.7	+3.2	+5.1

Chebyshev(coeffs=[[-3.55532,-1.18694,-0.135711,0.00483345],[13.9946,0.827393,-0.0932972,-0.0694324],[0.644205,0.274952,0.067505,-0.0125522],[0.0692668,-0.0290819,0.0483959,0.00937244],[-0.0255388,-0.0627391,0.0141296,0.0139159],[-0.0342257,-0.023125,-0.00607683,0.00630587]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.24
S298 (cal/mol*K) = 10.85
G298 (kcal/mol) = 15.01

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(990); H(25), C7H10(990); C7H9(5)+H(25)(+M)=>C7H10(990)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.555e+00 -1.187e+00 -1.357e-01 4.833e-03 / CHEB/ 1.399e+01 8.274e-01 -9.330e-02 -6.943e-02 / CHEB/ 6.442e-01 2.750e-01 6.750e-02 -1.255e-02 / CHEB/ 6.927e-02 -2.908e-02 4.840e-02 9.372e-03 / CHEB/ -2.554e-02 -6.274e-02 1.413e-02 1.392e-02 / CHEB/ -3.423e-02 -2.312e-02 -6.077e-03 6.306e-03 /

5198.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-11.0	-0.6	+3.2	+5.2
log₁₀(k(10 bar)/[mole,m,s])	-11.9	-0.9	+3.1	+5.1

Chebyshev(coeffs=[[-3.78285,-1.17234,-0.139783,0.00406727],[14.135,0.826805,-0.0873211,-0.0693336],[0.627351,0.267327,0.070017,-0.0116555],[0.0906534,-0.0337548,0.0477154,0.0102183],[0.0181405,-0.0634017,0.0128691,0.0141865],[-0.0248427,-0.0213528,-0.00684794,0.00598525]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 18.66
S298 (cal/mol*K) = 9.85
G298 (kcal/mol) = 15.72

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(991); H(25), C7H10(991); C7H9(5)+H(25)(+M)=>C7H10(991)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.783e+00 -1.172e+00 -1.398e-01 4.067e-03 / CHEB/ 1.413e+01 8.268e-01 -8.732e-02 -6.933e-02 / CHEB/ 6.274e-01 2.673e-01 7.002e-02 -1.166e-02 / CHEB/ 9.065e-02 -3.375e-02 4.772e-02 1.022e-02 / CHEB/ 1.814e-02 -6.340e-02 1.287e-02 1.419e-02 / CHEB/ -2.484e-02 -2.135e-02 -6.848e-03 5.985e-03 /

5199.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-21.7	-10.0	-6.1	-4.3
log₁₀(k(10 bar)/[mole,m,s])	-22.5	-10.3	-6.3	-4.4

Chebyshev(coeffs=[[-14.6122,-0.996105,-0.20712,-0.00490624],[15.9393,0.720379,0.00293907,-0.065826],[0.345642,0.200726,0.0774184,-0.00363012],[0.004942,-0.0475084,0.0343713,0.0158011],[-0.0557036,-0.0437105,0.00136779,0.0128197],[-0.0574098,-0.00633577,-0.00811981,0.0023975]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 12.78
S298 (cal/mol*K) = -14.96
G298 (kcal/mol) = 17.24

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(992); H(25), C7H10(992); C7H9(5)+H(25)(+M)=>C7H10(992)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.461e+01 -9.961e-01 -2.071e-01 -4.906e-03 / CHEB/ 1.594e+01 7.204e-01 2.939e-03 -6.583e-02 / CHEB/ 3.456e-01 2.007e-01 7.742e-02 -3.630e-03 / CHEB/ 4.942e-03 -4.751e-02 3.437e-02 1.580e-02 / CHEB/ -5.570e-02 -4.371e-02 1.368e-03 1.282e-02 / CHEB/ -5.741e-02 -6.336e-03 -8.120e-03 2.397e-03 /

5200.

→

PDepNetwork #2

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-10.5	-3.1	-0.4	+0.8
log₁₀(k(10 bar)/[mole,m,s])	-11.6	-3.6	-0.6	+0.7

Chebyshev(coeffs=[[-3.18033,-1.45727,-0.0474381,0.0441728],[9.14233,0.931825,-0.196996,-0.1065],[0.807455,0.366421,0.0414869,-0.0195151],[0.00975749,0.0358199,0.0460595,0.0102074],[-0.0525422,-0.0511228,0.0260877,0.0081531],[-0.0148167,-0.0486445,0.00566674,0.00450573]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 19.37
S298 (cal/mol*K) = -11.35
G298 (kcal/mol) = 22.76

! PDep reaction: PDepNetwork #2 ! Flux pairs: C7H9(5), C7H10(774); H(25), C7H10(774); C7H9(5)+H(25)(+M)=>C7H10(774)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -3.180e+00 -1.457e+00 -4.744e-02 4.417e-02 / CHEB/ 9.142e+00 9.318e-01 -1.970e-01 -1.065e-01 / CHEB/ 8.075e-01 3.664e-01 4.149e-02 -1.952e-02 / CHEB/ 9.757e-03 3.582e-02 4.606e-02 1.021e-02 / CHEB/ -5.254e-02 -5.112e-02 2.609e-02 8.153e-03 / CHEB/ -1.482e-02 -4.864e-02 5.667e-03 4.506e-03 /

5205.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+0.6	+1.1	+1.4	+1.6
log₁₀(k(10 bar)/[mole,m,s])	+0.2	+0.9	+1.3	+1.6

Chebyshev(coeffs=[[6.3621,-0.512694,-0.306171,-0.126811],[0.963406,0.263018,0.151583,0.0573597],[0.159914,0.118169,0.0685379,0.0264174],[0.082084,0.0750749,0.0421115,0.0149794],[0.0323945,0.00581066,0.00530797,0.00398155],[0.00209763,-0.0177149,-0.00838138,-0.00142731]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -35.46
S298 (cal/mol*K) = -28.70
G298 (kcal/mol) = -26.91

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(336); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(336)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.362e+00 -5.127e-01 -3.062e-01 -1.268e-01 / CHEB/ 9.634e-01 2.630e-01 1.516e-01 5.736e-02 / CHEB/ 1.599e-01 1.182e-01 6.854e-02 2.642e-02 / CHEB/ 8.208e-02 7.507e-02 4.211e-02 1.498e-02 / CHEB/ 3.239e-02 5.811e-03 5.308e-03 3.982e-03 / CHEB/ 2.098e-03 -1.771e-02 -8.381e-03 -1.427e-03 /

5206.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.0	+1.4	+1.6	+1.7
log₁₀(k(10 bar)/[mole,m,s])	+0.7	+1.1	+1.5	+1.7

Chebyshev(coeffs=[[6.74875,-0.521595,-0.310778,-0.128071],[0.722832,0.260362,0.150046,0.0567511],[0.0857689,0.123008,0.070863,0.0268684],[0.0676041,0.0793379,0.0441526,0.0153844],[0.0321914,0.00725757,0.00606527,0.00420691],[0.00382499,-0.0180577,-0.00843728,-0.00132248]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -41.95
S298 (cal/mol*K) = -34.73
G298 (kcal/mol) = -31.60

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(121); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(121)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 6.749e+00 -5.216e-01 -3.108e-01 -1.281e-01 / CHEB/ 7.228e-01 2.604e-01 1.500e-01 5.675e-02 / CHEB/ 8.577e-02 1.230e-01 7.086e-02 2.687e-02 / CHEB/ 6.760e-02 7.934e-02 4.415e-02 1.538e-02 / CHEB/ 3.219e-02 7.258e-03 6.065e-03 4.207e-03 / CHEB/ 3.825e-03 -1.806e-02 -8.437e-03 -1.322e-03 /

5207.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-2.1	-1.2	-0.7	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-2.5	-1.5	-0.8	-0.4

Chebyshev(coeffs=[[3.80712,-0.498672,-0.298807,-0.124689],[1.36508,0.267301,0.154178,0.0584909],[0.289507,0.111254,0.0652472,0.0258191],[0.112746,0.0690874,0.0392332,0.0144028],[0.0371335,0.00380114,0.0042323,0.0036419],[0.0020624,-0.0172983,-0.00834742,-0.00159818]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -61.88
S298 (cal/mol*K) = -53.02
G298 (kcal/mol) = -46.08

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(337); C2H4(72), C7H11(337); C5H7(210)+C2H4(72)(+M)=>C7H11(337)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 3.807e+00 -4.987e-01 -2.988e-01 -1.247e-01 / CHEB/ 1.365e+00 2.673e-01 1.542e-01 5.849e-02 / CHEB/ 2.895e-01 1.113e-01 6.525e-02 2.582e-02 / CHEB/ 1.127e-01 6.909e-02 3.923e-02 1.440e-02 / CHEB/ 3.713e-02 3.801e-03 4.232e-03 3.642e-03 / CHEB/ 2.062e-03 -1.730e-02 -8.347e-03 -1.598e-03 /

5208.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.9	-0.3	-0.0	+0.2
log₁₀(k(10 bar)/[mole,m,s])	-1.3	-0.6	-0.1	+0.2

Chebyshev(coeffs=[[4.87499,-0.51091,-0.305245,-0.126554],[1.01009,0.2635,0.151868,0.0574786],[0.173851,0.117206,0.0680742,0.026326],[0.0852657,0.0742597,0.0417198,0.0149005],[0.0331192,0.0055441,0.00516674,0.00393797],[0.00201093,-0.0176426,-0.0083678,-0.00144719]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -69.68
S298 (cal/mol*K) = -53.75
G298 (kcal/mol) = -53.66

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(338); C2H4(72), C7H11(338); C5H7(210)+C2H4(72)(+M)=>C7H11(338)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.875e+00 -5.109e-01 -3.052e-01 -1.266e-01 / CHEB/ 1.010e+00 2.635e-01 1.519e-01 5.748e-02 / CHEB/ 1.739e-01 1.172e-01 6.807e-02 2.633e-02 / CHEB/ 8.527e-02 7.426e-02 4.172e-02 1.490e-02 / CHEB/ 3.312e-02 5.544e-03 5.167e-03 3.938e-03 / CHEB/ 2.011e-03 -1.764e-02 -8.368e-03 -1.447e-03 /

5209.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.3	-8.4	-5.4	-3.7
log₁₀(k(10 bar)/[mole,m,s])	-16.4	-8.5	-5.4	-3.7

Chebyshev(coeffs=[[-9.41921,-0.202209,-0.132353,-0.066],[11.058,0.0821914,0.0528751,0.0255211],[0.423656,0.0531143,0.0338178,0.0159543],[0.175955,0.0351903,0.0225393,0.0107773],[0.0424383,0.00148077,0.00168791,0.00150822],[-0.00225011,-0.00793241,-0.00462807,-0.00178294]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.82
S298 (cal/mol*K) = -21.09
G298 (kcal/mol) = 39.11

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(339); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(339)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.419e+00 -2.022e-01 -1.324e-01 -6.600e-02 / CHEB/ 1.106e+01 8.219e-02 5.288e-02 2.552e-02 / CHEB/ 4.237e-01 5.311e-02 3.382e-02 1.595e-02 / CHEB/ 1.760e-01 3.519e-02 2.254e-02 1.078e-02 / CHEB/ 4.244e-02 1.481e-03 1.688e-03 1.508e-03 / CHEB/ -2.250e-03 -7.932e-03 -4.628e-03 -1.783e-03 /

5210.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-15.7	-7.7	-4.6	-2.9
log₁₀(k(10 bar)/[mole,m,s])	-15.8	-7.8	-4.7	-2.9

Chebyshev(coeffs=[[-8.79041,-0.202209,-0.132353,-0.066],[11.17,0.0821914,0.0528751,0.0255211],[0.448398,0.0531143,0.0338178,0.0159543],[0.183239,0.0351903,0.0225393,0.0107773],[0.0448501,0.00148078,0.00168791,0.00150823],[-0.0014004,-0.00793241,-0.00462807,-0.00178294]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.82
S298 (cal/mol*K) = -21.09
G298 (kcal/mol) = 39.11

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(340); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(340)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -8.790e+00 -2.022e-01 -1.324e-01 -6.600e-02 / CHEB/ 1.117e+01 8.219e-02 5.288e-02 2.552e-02 / CHEB/ 4.484e-01 5.311e-02 3.382e-02 1.595e-02 / CHEB/ 1.832e-01 3.519e-02 2.254e-02 1.078e-02 / CHEB/ 4.485e-02 1.481e-03 1.688e-03 1.508e-03 / CHEB/ -1.400e-03 -7.932e-03 -4.628e-03 -1.783e-03 /

5211.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.9	-8.5	-5.3	-3.5
log₁₀(k(10 bar)/[mole,m,s])	-17.1	-8.6	-5.3	-3.5

Chebyshev(coeffs=[[-10.0503,-0.191193,-0.125525,-0.0629475],[11.8529,0.0747242,0.048242,0.0234415],[0.426221,0.0511174,0.0326608,0.0155185],[0.180677,0.0341365,0.0219478,0.0105722],[0.045483,0.00157417,0.00170045,0.00147071],[-0.00095708,-0.00755209,-0.00443249,-0.00173385]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.52
S298 (cal/mol*K) = -21.82
G298 (kcal/mol) = 42.02

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(341); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(341)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.005e+01 -1.912e-01 -1.255e-01 -6.295e-02 / CHEB/ 1.185e+01 7.472e-02 4.824e-02 2.344e-02 / CHEB/ 4.262e-01 5.112e-02 3.266e-02 1.552e-02 / CHEB/ 1.807e-01 3.414e-02 2.195e-02 1.057e-02 / CHEB/ 4.548e-02 1.574e-03 1.700e-03 1.471e-03 / CHEB/ -9.571e-04 -7.552e-03 -4.432e-03 -1.734e-03 /

5212.

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PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-12.0	-6.1	-3.6	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-12.2	-6.2	-3.6	-2.2

Chebyshev(coeffs=[[-5.25666,-0.262363,-0.168883,-0.081629],[8.25026,0.126499,0.0797325,0.0369801],[0.565457,0.0619839,0.0388211,0.017701],[0.190067,0.0397645,0.0249735,0.0114844],[0.0415163,0.00101008,0.00165788,0.00174115],[-0.00259122,-0.00978373,-0.00553489,-0.00196156]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 22.12
S298 (cal/mol*K) = -23.20
G298 (kcal/mol) = 29.04

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(335); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(335)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -5.257e+00 -2.624e-01 -1.689e-01 -8.163e-02 / CHEB/ 8.250e+00 1.265e-01 7.973e-02 3.698e-02 / CHEB/ 5.655e-01 6.198e-02 3.882e-02 1.770e-02 / CHEB/ 1.901e-01 3.976e-02 2.497e-02 1.148e-02 / CHEB/ 4.152e-02 1.010e-03 1.658e-03 1.741e-03 / CHEB/ -2.591e-03 -9.784e-03 -5.535e-03 -1.962e-03 /

5213.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.1	-6.6	-4.0	-2.5
log₁₀(k(10 bar)/[mole,m,s])	-13.2	-6.7	-4.0	-2.5

Chebyshev(coeffs=[[-6.2709,-0.24444,-0.15814,-0.0771677],[9.01017,0.112531,0.0713906,0.0335418],[0.530957,0.0598977,0.0376715,0.0173282],[0.191081,0.0386048,0.0243795,0.0113366],[0.042807,0.00108062,0.00162289,0.00165191],[-0.00257139,-0.00926867,-0.00528862,-0.00191971]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.02
S298 (cal/mol*K) = -21.82
G298 (kcal/mol) = 31.52

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(342); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(342)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.271e+00 -2.444e-01 -1.581e-01 -7.717e-02 / CHEB/ 9.010e+00 1.125e-01 7.139e-02 3.354e-02 / CHEB/ 5.310e-01 5.990e-02 3.767e-02 1.733e-02 / CHEB/ 1.911e-01 3.860e-02 2.438e-02 1.134e-02 / CHEB/ 4.281e-02 1.081e-03 1.623e-03 1.652e-03 / CHEB/ -2.571e-03 -9.269e-03 -5.289e-03 -1.920e-03 /

5214.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-13.0	-6.4	-3.7	-2.2
log₁₀(k(10 bar)/[mole,m,s])	-13.1	-6.5	-3.8	-2.2

Chebyshev(coeffs=[[-6.15579,-0.24444,-0.15814,-0.0771677],[9.11703,0.112531,0.0713906,0.0335418],[0.554556,0.0598977,0.0376715,0.0173282],[0.198029,0.0386048,0.0243795,0.0113366],[0.0451074,0.00108062,0.00162289,0.00165191],[-0.00176095,-0.00926867,-0.00528862,-0.00191971]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 25.02
S298 (cal/mol*K) = -21.82
G298 (kcal/mol) = 31.52

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(343); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(343)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -6.156e+00 -2.444e-01 -1.581e-01 -7.717e-02 / CHEB/ 9.117e+00 1.125e-01 7.139e-02 3.354e-02 / CHEB/ 5.546e-01 5.990e-02 3.767e-02 1.733e-02 / CHEB/ 1.980e-01 3.860e-02 2.438e-02 1.134e-02 / CHEB/ 4.511e-02 1.081e-03 1.623e-03 1.652e-03 / CHEB/ -1.761e-03 -9.269e-03 -5.289e-03 -1.920e-03 /

5215.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	+1.8	+1.9	+1.8	+1.7
log₁₀(k(10 bar)/[mole,m,s])	+1.5	+1.6	+1.6	+1.7

Chebyshev(coeffs=[[7.38549,-0.536521,-0.318607,-0.130331],[0.322579,0.251911,0.145238,0.0549469],[-0.0718339,0.128464,0.0732269,0.027039],[0.0169901,0.0864958,0.0474778,0.0159326],[0.0185944,0.010866,0.00788016,0.0046685],[0.00087468,-0.0176358,-0.00803333,-0.00102847]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -55.76
S298 (cal/mol*K) = -43.42
G298 (kcal/mol) = -42.83

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(344); C2H4(72), C7H11(344); C5H7(210)+C2H4(72)(+M)=>C7H11(344)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 7.385e+00 -5.365e-01 -3.186e-01 -1.303e-01 / CHEB/ 3.226e-01 2.519e-01 1.452e-01 5.495e-02 / CHEB/ -7.183e-02 1.285e-01 7.323e-02 2.704e-02 / CHEB/ 1.699e-02 8.650e-02 4.748e-02 1.593e-02 / CHEB/ 1.859e-02 1.087e-02 7.880e-03 4.669e-03 / CHEB/ 8.747e-04 -1.764e-02 -8.033e-03 -1.028e-03 /

5216.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-8.7	-4.5	-2.6	-1.5
log₁₀(k(10 bar)/[mole,m,s])	-8.9	-4.6	-2.7	-1.5

Chebyshev(coeffs=[[-2.10364,-0.328327,-0.207255,-0.0964452],[5.75513,0.17953,0.110175,0.0483376],[0.613459,0.0682827,0.0423433,0.0189066],[0.169137,0.0438605,0.0269764,0.0118806],[0.0336979,0.000755902,0.00179899,0.00207865],[-0.00425097,-0.0114907,-0.00629295,-0.00202367]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 10.71
S298 (cal/mol*K) = -22.13
G298 (kcal/mol) = 17.30

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C6H9(322); C2H4(72), CH2(137); C5H7(210)+C2H4(72)(+M)=>CH2(137)+C6H9(322)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -2.104e+00 -3.283e-01 -2.073e-01 -9.645e-02 / CHEB/ 5.755e+00 1.795e-01 1.102e-01 4.834e-02 / CHEB/ 6.135e-01 6.828e-02 4.234e-02 1.891e-02 / CHEB/ 1.691e-01 4.386e-02 2.698e-02 1.188e-02 / CHEB/ 3.370e-02 7.559e-04 1.799e-03 2.079e-03 / CHEB/ -4.251e-03 -1.149e-02 -6.293e-03 -2.024e-03 /

5217.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.9	-0.2	+0.2	+0.5
log₁₀(k(10 bar)/[mole,m,s])	-1.3	-0.4	+0.1	+0.5

Chebyshev(coeffs=[[4.93832,-0.506168,-0.302733,-0.125808],[1.1494,0.265543,0.153083,0.0579856],[0.224645,0.115202,0.0671568,0.026201],[0.0992646,0.0721925,0.0407341,0.0147126],[0.035763,0.00469777,0.0047212,0.0038055],[0.00257782,-0.0176199,-0.00841773,-0.00152199]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.14
S298 (cal/mol*K) = -54.15
G298 (kcal/mol) = -52.01

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(345); C2H4(72), C7H11(345); C5H7(210)+C2H4(72)(+M)=>C7H11(345)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.938e+00 -5.062e-01 -3.027e-01 -1.258e-01 / CHEB/ 1.149e+00 2.655e-01 1.531e-01 5.799e-02 / CHEB/ 2.246e-01 1.152e-01 6.716e-02 2.620e-02 / CHEB/ 9.926e-02 7.219e-02 4.073e-02 1.471e-02 / CHEB/ 3.576e-02 4.698e-03 4.721e-03 3.805e-03 / CHEB/ 2.578e-03 -1.762e-02 -8.418e-03 -1.522e-03 /

5218.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-22.4	-12.1	-8.1	-6.0
log₁₀(k(10 bar)/[mole,m,s])	-22.5	-12.1	-8.2	-6.0

Chebyshev(coeffs=[[-15.2702,-0.157705,-0.104513,-0.0533097],[14.5191,0.0565226,0.036863,0.0182538],[0.472648,0.0436622,0.0282415,0.0137492],[0.19493,0.0295653,0.0192636,0.00951845],[0.0548822,0.00146167,0.00149395,0.00124783],[0.00424407,-0.00634731,-0.00380726,-0.00157158]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.02
S298 (cal/mol*K) = -30.84
G298 (kcal/mol) = 53.21

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(346); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(346)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.527e+01 -1.577e-01 -1.045e-01 -5.331e-02 / CHEB/ 1.452e+01 5.652e-02 3.686e-02 1.825e-02 / CHEB/ 4.726e-01 4.366e-02 2.824e-02 1.375e-02 / CHEB/ 1.949e-01 2.957e-02 1.926e-02 9.518e-03 / CHEB/ 5.488e-02 1.462e-03 1.494e-03 1.248e-03 / CHEB/ 4.244e-03 -6.347e-03 -3.807e-03 -1.572e-03 /

5223.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.3	-0.7	-0.5	-0.3
log₁₀(k(10 bar)/[mole,m,s])	-1.7	-1.0	-0.6	-0.4

Chebyshev(coeffs=[[4.46318,-0.533534,-0.320735,-0.135023],[0.980308,0.278493,0.162698,0.0638877],[0.127686,0.116463,0.0681734,0.0268891],[0.0507584,0.0821839,0.0469485,0.0175633],[0.0160584,0.0112438,0.00849435,0.00527164],[-0.00206608,-0.0163551,-0.00794542,-0.00159225]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -32.00
S298 (cal/mol*K) = -35.11
G298 (kcal/mol) = -21.54

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(347); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(347)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.463e+00 -5.335e-01 -3.207e-01 -1.350e-01 / CHEB/ 9.803e-01 2.785e-01 1.627e-01 6.389e-02 / CHEB/ 1.277e-01 1.165e-01 6.817e-02 2.689e-02 / CHEB/ 5.076e-02 8.218e-02 4.695e-02 1.756e-02 / CHEB/ 1.606e-02 1.124e-02 8.494e-03 5.272e-03 / CHEB/ -2.066e-03 -1.636e-02 -7.945e-03 -1.592e-03 /

5224.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.5	-0.8	-0.6	-0.4
log₁₀(k(10 bar)/[mole,m,s])	-1.8	-1.1	-0.7	-0.4

Chebyshev(coeffs=[[4.33689,-0.532707,-0.3203,-0.134897],[1.0019,0.27868,0.162813,0.0639396],[0.133693,0.116036,0.0679638,0.0268436],[0.0517473,0.0818433,0.0467817,0.017526],[0.0160598,0.0111339,0.00843417,0.00525088],[-0.0021261,-0.0163341,-0.0079444,-0.00160187]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -30.64
S298 (cal/mol*K) = -37.69
G298 (kcal/mol) = -19.41

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(21); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>C7H10(21)+H(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.337e+00 -5.327e-01 -3.203e-01 -1.349e-01 / CHEB/ 1.002e+00 2.787e-01 1.628e-01 6.394e-02 / CHEB/ 1.337e-01 1.160e-01 6.796e-02 2.684e-02 / CHEB/ 5.175e-02 8.184e-02 4.678e-02 1.753e-02 / CHEB/ 1.606e-02 1.113e-02 8.434e-03 5.251e-03 / CHEB/ -2.126e-03 -1.633e-02 -7.944e-03 -1.602e-03 /

5225.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-3.1	-2.3	-1.9	-1.7
log₁₀(k(10 bar)/[mole,m,s])	-3.5	-2.5	-2.0	-1.8

Chebyshev(coeffs=[[2.7264,-0.523656,-0.315598,-0.133591],[1.25005,0.2788,0.162981,0.0641153],[0.187249,0.110524,0.0651724,0.0261397],[0.0485021,0.0784561,0.045111,0.0171366],[0.0063863,0.0105131,0.00807076,0.00509955],[-0.00609346,-0.0157867,-0.00776187,-0.00165251]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -63.77
S298 (cal/mol*K) = -56.42
G298 (kcal/mol) = -46.96

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(348); C2H4(72), C7H11(348); C5H7(210)+C2H4(72)(+M)=>C7H11(348)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 2.726e+00 -5.237e-01 -3.156e-01 -1.336e-01 / CHEB/ 1.250e+00 2.788e-01 1.630e-01 6.412e-02 / CHEB/ 1.872e-01 1.105e-01 6.517e-02 2.614e-02 / CHEB/ 4.850e-02 7.846e-02 4.511e-02 1.714e-02 / CHEB/ 6.386e-03 1.051e-02 8.071e-03 5.100e-03 / CHEB/ -6.093e-03 -1.579e-02 -7.762e-03 -1.653e-03 /

5226.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-1.3	-0.8	-0.6	-0.5
log₁₀(k(10 bar)/[mole,m,s])	-1.6	-1.0	-0.7	-0.5

Chebyshev(coeffs=[[4.47026,-0.537804,-0.32299,-0.135689],[0.868619,0.277191,0.161916,0.0635514],[0.0937702,0.118498,0.0691541,0.0270833],[0.0435948,0.0839764,0.0478217,0.0177539],[0.0150877,0.0119034,0.00885056,0.00538927],[-0.00214775,-0.016402,-0.00791819,-0.00153291]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -68.47
S298 (cal/mol*K) = -57.15
G298 (kcal/mol) = -51.44

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(325); C2H4(72), C7H11(325); C5H7(210)+C2H4(72)(+M)=>C7H11(325)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.470e+00 -5.378e-01 -3.230e-01 -1.357e-01 / CHEB/ 8.686e-01 2.772e-01 1.619e-01 6.355e-02 / CHEB/ 9.377e-02 1.185e-01 6.915e-02 2.708e-02 / CHEB/ 4.359e-02 8.398e-02 4.782e-02 1.775e-02 / CHEB/ 1.509e-02 1.190e-02 8.851e-03 5.389e-03 / CHEB/ -2.148e-03 -1.640e-02 -7.918e-03 -1.533e-03 /

5227.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-0.5	-0.6	-0.9	-1.1
log₁₀(k(10 bar)/[mole,m,s])	-0.8	-0.9	-1.0	-1.1

Chebyshev(coeffs=[[4.97229,-0.568669,-0.339249,-0.140472],[0.095035,0.262518,0.153511,0.0603168],[-0.175957,0.130873,0.0748379,0.027902],[-0.0285294,0.0981027,0.0545579,0.0190822],[-0.000267036,0.0185503,0.0122901,0.00638427],[-0.0052268,-0.0156885,-0.00717962,-0.000954568]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = -66.87
S298 (cal/mol*K) = -58.53
G298 (kcal/mol) = -49.43

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H11(349); C2H4(72), C7H11(349); C5H7(210)+C2H4(72)(+M)=>C7H11(349)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ 4.972e+00 -5.687e-01 -3.392e-01 -1.405e-01 / CHEB/ 9.503e-02 2.625e-01 1.535e-01 6.032e-02 / CHEB/ -1.760e-01 1.309e-01 7.484e-02 2.790e-02 / CHEB/ -2.853e-02 9.810e-02 5.456e-02 1.908e-02 / CHEB/ -2.670e-04 1.855e-02 1.229e-02 6.384e-03 / CHEB/ -5.227e-03 -1.569e-02 -7.180e-03 -9.546e-04 /

5228.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-18.1	-10.1	-7.1	-5.5
log₁₀(k(10 bar)/[mole,m,s])	-18.2	-10.2	-7.2	-5.5

Chebyshev(coeffs=[[-11.3844,-0.20401,-0.133874,-0.0670872],[11.3927,0.0850966,0.0552757,0.0271919],[0.2636,0.0540658,0.0345625,0.0164368],[0.133841,0.0392192,0.0251912,0.0121163],[0.0381303,0.0033799,0.00281027,0.00195892],[0.0015218,-0.00855875,-0.0051004,-0.00207605]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.23
S298 (cal/mol*K) = -24.49
G298 (kcal/mol) = 42.53

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(48); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.138e+01 -2.040e-01 -1.339e-01 -6.709e-02 / CHEB/ 1.139e+01 8.510e-02 5.528e-02 2.719e-02 / CHEB/ 2.636e-01 5.407e-02 3.456e-02 1.644e-02 / CHEB/ 1.338e-01 3.922e-02 2.519e-02 1.212e-02 / CHEB/ 3.813e-02 3.380e-03 2.810e-03 1.959e-03 / CHEB/ 1.522e-03 -8.559e-03 -5.100e-03 -2.076e-03 /

5229.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-17.5	-9.4	-6.4	-4.8
log₁₀(k(10 bar)/[mole,m,s])	-17.6	-9.5	-6.4	-4.8

Chebyshev(coeffs=[[-10.7557,-0.20401,-0.133874,-0.0670872],[11.5047,0.0850966,0.0552757,0.0271919],[0.288342,0.0540658,0.0345625,0.0164368],[0.141125,0.0392192,0.0251912,0.0121163],[0.0405422,0.0033799,0.00281027,0.00195892],[0.00237151,-0.00855875,-0.0051004,-0.00207605]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 35.23
S298 (cal/mol*K) = -24.49
G298 (kcal/mol) = 42.53

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(49); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(49)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.076e+01 -2.040e-01 -1.339e-01 -6.709e-02 / CHEB/ 1.150e+01 8.510e-02 5.528e-02 2.719e-02 / CHEB/ 2.883e-01 5.407e-02 3.456e-02 1.644e-02 / CHEB/ 1.411e-01 3.922e-02 2.519e-02 1.212e-02 / CHEB/ 4.054e-02 3.380e-03 2.810e-03 1.959e-03 / CHEB/ 2.372e-03 -8.559e-03 -5.100e-03 -2.076e-03 /

5230.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.0	-8.8	-6.1	-4.6
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-8.9	-6.1	-4.6

Chebyshev(coeffs=[[-9.28394,-0.229521,-0.149691,-0.0741745],[10.1372,0.102127,0.0658869,0.0320068],[0.337306,0.0583471,0.0370149,0.0173302],[0.14402,0.0420407,0.0267914,0.0126907],[0.0387294,0.00356775,0.00301234,0.00213142],[0.00193901,-0.00935908,-0.00551317,-0.00218177]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 30.53
S298 (cal/mol*K) = -25.22
G298 (kcal/mol) = 38.05

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(50); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.284e+00 -2.295e-01 -1.497e-01 -7.417e-02 / CHEB/ 1.014e+01 1.021e-01 6.589e-02 3.201e-02 / CHEB/ 3.373e-01 5.835e-02 3.701e-02 1.733e-02 / CHEB/ 1.440e-01 4.204e-02 2.679e-02 1.269e-02 / CHEB/ 3.873e-02 3.568e-03 3.012e-03 2.131e-03 / CHEB/ 1.939e-03 -9.359e-03 -5.513e-03 -2.182e-03 /

5231.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.0	-8.8	-6.1	-4.6
log₁₀(k(10 bar)/[mole,m,s])	-16.1	-8.9	-6.1	-4.6

H298 (kcal/mol) = 30.53
S298 (cal/mol*K) = -25.22
G298 (kcal/mol) = 38.05

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(51); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(51)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.284e+00 -2.295e-01 -1.497e-01 -7.417e-02 / CHEB/ 1.014e+01 1.021e-01 6.589e-02 3.201e-02 / CHEB/ 3.373e-01 5.835e-02 3.701e-02 1.733e-02 / CHEB/ 1.440e-01 4.204e-02 2.679e-02 1.269e-02 / CHEB/ 3.873e-02 3.568e-03 3.012e-03 2.131e-03 / CHEB/ 1.939e-03 -9.359e-03 -5.513e-03 -2.182e-03 /

5232.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.6	-9.1	-6.3	-4.8
log₁₀(k(10 bar)/[mole,m,s])	-16.7	-9.2	-6.3	-4.8

Chebyshev(coeffs=[[-9.87519,-0.220789,-0.144299,-0.0717782],[10.5812,0.0960777,0.0621338,0.0303187],[0.319699,0.0570259,0.036268,0.0170687],[0.144006,0.0411539,0.0262942,0.0125181],[0.0396252,0.00348505,0.00293144,0.00206683],[0.00198467,-0.00909882,-0.00538021,-0.00214907]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 32.13
S298 (cal/mol*K) = -25.22
G298 (kcal/mol) = 39.65

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(52); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.875e+00 -2.208e-01 -1.443e-01 -7.178e-02 / CHEB/ 1.058e+01 9.608e-02 6.213e-02 3.032e-02 / CHEB/ 3.197e-01 5.703e-02 3.627e-02 1.707e-02 / CHEB/ 1.440e-01 4.115e-02 2.629e-02 1.252e-02 / CHEB/ 3.963e-02 3.485e-03 2.931e-03 2.067e-03 / CHEB/ 1.985e-03 -9.099e-03 -5.380e-03 -2.149e-03 /

5233.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-16.3	-8.8	-6.0	-4.5
log₁₀(k(10 bar)/[mole,m,s])	-16.4	-8.9	-6.1	-4.5

Chebyshev(coeffs=[[-9.57627,-0.223404,-0.145916,-0.0724992],[10.5512,0.0978204,0.063217,0.0308077],[0.347608,0.0574721,0.0365231,0.0171612],[0.151241,0.0414429,0.0264572,0.0125757],[0.0417412,0.0034992,0.00294905,0.00208319],[0.00271614,-0.00918049,-0.00542194,-0.00215932]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 31.63
S298 (cal/mol*K) = -26.60
G298 (kcal/mol) = 39.56

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(350); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(350)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -9.576e+00 -2.234e-01 -1.459e-01 -7.250e-02 / CHEB/ 1.055e+01 9.782e-02 6.322e-02 3.081e-02 / CHEB/ 3.476e-01 5.747e-02 3.652e-02 1.716e-02 / CHEB/ 1.512e-01 4.144e-02 2.646e-02 1.258e-02 / CHEB/ 4.174e-02 3.499e-03 2.949e-03 2.083e-03 / CHEB/ 2.716e-03 -9.180e-03 -5.422e-03 -2.159e-03 /

5234.

→

PDepNetwork #20

T/[K]	500	1000	1500	2000
log₁₀(k(1 bar)/[mole,m,s])	-23.8	-13.5	-9.8	-7.7
log₁₀(k(10 bar)/[mole,m,s])	-23.9	-13.6	-9.8	-7.7

Chebyshev(coeffs=[[-16.7725,-0.163679,-0.108482,-0.0553484],[14.4682,0.06374,0.0418112,0.0209362],[0.338757,0.0453601,0.0294005,0.0143698],[0.160391,0.0329549,0.0214769,0.0106187],[0.0512683,0.00261806,0.00220319,0.0015578],[0.00730144,-0.00721069,-0.00439157,-0.0018809]], kunits='cm^3/(mol*s)', Tmin=(300,'K'), Tmax=(2000,'K'), Pmin=(0.01,'bar'), Pmax=(100,'bar'))

H298 (kcal/mol) = 44.93
S298 (cal/mol*K) = -34.24
G298 (kcal/mol) = 55.14

! PDep reaction: PDepNetwork #20 ! Flux pairs: C5H7(210), C7H10(352); C2H4(72), H(25); C5H7(210)+C2H4(72)(+M)=>H(25)+C7H10(352)(+M) 1.000e+00 0.000 0.000 TCHEB/ 300.000 2000.000 / PCHEB/ 0.010 98.692 / CHEB/ 6 4/ CHEB/ -1.677e+01 -1.637e-01 -1.085e-01 -5.535e-02 / CHEB/ 1.447e+01 6.374e-02 4.181e-02 2.094e-02 / CHEB/ 3.388e-01 4.536e-02 2.940e-02 1.437e-02 / CHEB/ 1.604e-01 3.295e-02 2.148e-02 1.062e-02 / CHEB/ 5.127e-02 2.618e-03 2.203e-03 1.558e-03 / CHEB/ 7.301e-03 -7.211e-03 -4.392e-03 -1.881e-03 /

RMG Output

Species (999)

Reactions (3062)

Reaction families:

Reaction Details:

Reaction Filter:

Reaction List: